Daily Papers

Large multimodal models (LMMs) have shown impressive capabilities in a wide range of visual tasks. However, they often struggle with fine-grained visual reasoning, failing to identify domain-specific objectives and provide justifiable explanations for their predictions. To address this, we propose a novel visual rejection sampling framework to improve the cognition and explainability of LMMs using self-synthesized data. Specifically, visual fine-tuning requires images, queries, and target answers. Our approach begins by synthesizing interpretable answers that include human-verifiable visual features. These features are based on expert-defined concepts, carefully selected based on their alignment with the image content. After each round of fine-tuning, we apply a reward model-free filtering mechanism to select the highest-quality interpretable answers for the next round of tuning. This iterative process of data synthesis and fine-tuning progressively improves the model's ability to generate accurate and reasonable explanations. Experimental results demonstrate the effectiveness of our method in improving both the accuracy and explainability of specialized visual classification tasks.

The artificial intelligence (AI) world is running out of real data for training increasingly large generative models, resulting in accelerating pressure to train on synthetic data. Unfortunately, training new generative models with synthetic data from current or past generation models creates an autophagous (self-consuming) loop that degrades the quality and/or diversity of the synthetic data in what has been termed model autophagy disorder (MAD) and model collapse. Current thinking around model autophagy recommends that synthetic data is to be avoided for model training lest the system deteriorate into MADness. In this paper, we take a different tack that treats synthetic data differently from real data. Self-IMproving diffusion models with Synthetic data (SIMS) is a new training concept for diffusion models that uses self-synthesized data to provide negative guidance during the generation process to steer a model's generative process away from the non-ideal synthetic data manifold and towards the real data distribution. We demonstrate that SIMS is capable of self-improvement; it establishes new records based on the Fr\'echet inception distance (FID) metric for CIFAR-10 and ImageNet-64 generation and achieves competitive results on FFHQ-64 and ImageNet-512. Moreover, SIMS is, to the best of our knowledge, the first prophylactic generative AI algorithm that can be iteratively trained on self-generated synthetic data without going MAD. As a bonus, SIMS can adjust a diffusion model's synthetic data distribution to match any desired in-domain target distribution to help mitigate biases and ensure fairness.

Large language models (LLMs) hold the promise of solving diverse tasks when provided with appropriate natural language prompts. However, prompting often leads models to make predictions with lower accuracy compared to finetuning a model with ample training data. On the other hand, while finetuning LLMs on task-specific data generally improves their performance, abundant annotated datasets are not available for all tasks. Previous work has explored generating task-specific data from state-of-the-art LLMs and using this data to finetune smaller models, but this approach requires access to a language model other than the one being trained, which introduces cost, scalability challenges, and legal hurdles associated with continuously relying on more powerful LLMs. In response to these, we propose SELF-GUIDE, a multi-stage mechanism in which we synthesize task-specific input-output pairs from the student LLM, then use these input-output pairs to finetune the student LLM itself. In our empirical evaluation of the Natural Instructions V2 benchmark, we find that SELF-GUIDE improves the performance of LLM by a substantial margin. Specifically, we report an absolute improvement of approximately 15% for classification tasks and 18% for generation tasks in the benchmark's metrics. This sheds light on the promise of self-synthesized data guiding LLMs towards becoming task-specific experts without any external learning signals.

Self-Supervised Learning (SSL) has become a prominent approach for acquiring visual representations across various tasks, yet its application in fine-grained visual recognition (FGVR) is challenged by the intricate task of distinguishing subtle differences between categories. To overcome this, we introduce an novel strategy that boosts SSL's ability to extract critical discriminative features vital for FGVR. This approach creates synthesized data pairs to guide the model to focus on discriminative features critical for FGVR during SSL. We start by identifying non-discriminative features using two main criteria: features with low variance that fail to effectively separate data and those deemed less important by Grad-CAM induced from the SSL loss. We then introduce perturbations to these non-discriminative features while preserving discriminative ones. A decoder is employed to reconstruct images from both perturbed and original feature vectors to create data pairs. An encoder is trained on such generated data pairs to become invariant to variations in non-discriminative dimensions while focusing on discriminative features, thereby improving the model's performance in FGVR tasks. We demonstrate the promising FGVR performance of the proposed approach through extensive evaluation on a wide variety of datasets.

We propose a self-refining framework that enhances ASR performance with only unlabeled datasets. The process starts with an existing ASR model generating pseudo-labels on unannotated speech, which are then used to train a high-fidelity text-to-speech (TTS) system. Then, synthesized speech text pairs are bootstrapped into the original ASR system, completing the closed-loop self-improvement cycle. We demonstrated the effectiveness of the framework on Taiwanese Mandarin speech. Leveraging 6,000 hours of unlabeled speech, a moderate amount of text data, and synthetic content from the AI models, we adapt Whisper-large-v2 into a specialized model, Twister. Twister reduces error rates by up to 20% on Mandarin and 50% on Mandarin-English code-switching benchmarks compared to Whisper. Results highlight the framework as a compelling alternative to pseudo-labeling self-distillation approaches and provides a practical pathway for improving ASR performance in low-resource or domain-specific settings.

Autonomous agents powered by large language models (LLMs) have the potential to enhance human capabilities, assisting with digital tasks from sending emails to performing data analysis. The abilities of existing LLMs at such tasks are often hindered by the lack of high-quality agent data from the corresponding environments they interact with. We propose Learn-by-interact, a data-centric framework to adapt LLM agents to any given environments without human annotations. Learn-by-interact synthesizes trajectories of agent-environment interactions based on documentations, and constructs instructions by summarizing or abstracting the interaction histories, a process called backward construction. We assess the quality of our synthetic data by using them in both training-based scenarios and training-free in-context learning (ICL), where we craft innovative retrieval approaches optimized for agents. Extensive experiments on SWE-bench, WebArena, OSWorld and Spider2-V spanning across realistic coding, web, and desktop environments show the effectiveness of Learn-by-interact in various downstream agentic tasks -- baseline results are improved by up to 12.2\% for ICL with Claude-3.5 and 19.5\% for training with Codestral-22B. We further demonstrate the critical role of backward construction, which provides up to 14.0\% improvement for training. Our ablation studies demonstrate the efficiency provided by our synthesized data in ICL and the superiority of our retrieval pipeline over alternative approaches like conventional retrieval-augmented generation (RAG). We expect that Learn-by-interact will serve as a foundation for agent data synthesis as LLMs are increasingly deployed at real-world environments.

Large language models (LLMs) suffer from catastrophic forgetting during continual learning. Conventional rehearsal-based methods rely on previous training data to retain the model's ability, which may not be feasible in real-world applications. When conducting continual learning based on a publicly-released LLM checkpoint, the availability of the original training data may be non-existent. To address this challenge, we propose a framework called Self-Synthesized Rehearsal (SSR) that uses the LLM to generate synthetic instances for rehearsal. Concretely, we first employ the base LLM for in-context learning to generate synthetic instances. Subsequently, we utilize the latest LLM to refine the instance outputs based on the synthetic inputs, preserving its acquired ability. Finally, we select diverse high-quality synthetic instances for rehearsal in future stages. Experimental results demonstrate that SSR achieves superior or comparable performance compared to conventional rehearsal-based approaches while being more data-efficient. Besides, SSR effectively preserves the generalization capabilities of LLMs in general domains.

Large Language Models (LLMs) have showcased remarkable versatility across diverse domains. However, the pathway toward autonomous model development, a cornerstone for achieving human-level learning and advancing autonomous AI, remains largely uncharted. We introduce an innovative approach, termed "SELF" (Self-Evolution with Language Feedback). This methodology empowers LLMs to undergo continual self-evolution. Furthermore, SELF employs language-based feedback as a versatile and comprehensive evaluative tool, pinpointing areas for response refinement and bolstering the stability of self-evolutionary training. Initiating with meta-skill learning, SELF acquires foundational meta-skills with a focus on self-feedback and self-refinement. These meta-skills are critical, guiding the model's subsequent self-evolution through a cycle of perpetual training with self-curated data, thereby enhancing its intrinsic abilities. Given unlabeled instructions, SELF equips the model with the capability to autonomously generate and interactively refine responses. This synthesized training data is subsequently filtered and utilized for iterative fine-tuning, enhancing the model's capabilities. Experimental results on representative benchmarks substantiate that SELF can progressively advance its inherent abilities without the requirement of human intervention, thereby indicating a viable pathway for autonomous model evolution. Additionally, SELF can employ online self-refinement strategy to produce responses of superior quality. In essence, the SELF framework signifies a progressive step towards autonomous LLM development, transforming the LLM from a mere passive recipient of information into an active participant in its own evolution.

Embodied decision-making is fundamental for AI agents operating in real-world environments. While Visual Language Models (VLMs) have advanced this capability, they still struggle with complex decisions, particularly in human-centered situations that require deep reasoning about human needs and values. In this study, we systematically evaluate open-sourced VLMs on multimodal human-centered decision-making tasks. We find that LLMs receiving only textual descriptions unexpectedly outperform their VLM counterparts of similar scale that process actual images, suggesting that visual alignment may hinder VLM abilities. To address this challenge, we propose a novel text-only training approach with synthesized textual data. This method strengthens VLMs' language components and transfers the learned abilities to multimodal inference, eliminating the need for expensive image-text paired data. Furthermore, we show that VLMs can achieve substantial performance gains through self-improvement, using training data generated by their LLM counterparts rather than relying on larger teacher models like GPT-4. Our findings establish a more efficient and scalable approach to enhancing VLMs' human-centered decision-making capabilities, opening new avenues for optimizing VLMs through self-improvement mechanisms.

Large Language Models exhibit impressive reasoning capabilities across diverse tasks, motivating efforts to distill these capabilities into smaller models through generated reasoning data. However, direct training on such synthesized reasoning data may lead to superficial imitation of reasoning process, rather than fostering a genuine integration of reasoning capabilities with underlying knowledge. To address this, we propose TinyThinker, a framework introducing two novel approaches. First, we introduce a three-stage process that incrementally guides the student model through the reasoning process, progressively refining knowledge from coarse to fine granularity. Second, we develop a two-phase training framework comprising an initial reasoning acquisition phase followed by a self-reflection phase utilizing self-generated data. Experiments on commonsense reasoning benchmarks demonstrate that TinyThinker achieves superior performance compared to baselines. Ablation studies further validate the effectiveness of each component in our framework. TinyThinker is extendable to other knowledge-intensive reasoning tasks, offering an alternative strategy for developing effective reasoning capabilities in smaller language models. Codes are available at https://github.com/shengminp/TinyThinker

Large Language Models (LLMs), despite their great power in language generation, often encounter challenges when dealing with intricate and knowledge-demanding queries in specific domains. This paper introduces a novel approach to enhance LLMs by effectively extracting the relevant knowledge from domain-specific textual sources, and the adaptive training of a chatbot with domain-specific inquiries. Our two-step approach starts from training a knowledge miner, namely LLMiner, which autonomously extracts Question-Answer pairs from relevant documents through a chain-of-thought reasoning process. Subsequently, we blend the mined QA pairs with a conversational dataset to fine-tune the LLM as a chatbot, thereby enriching its domain-specific expertise and conversational capabilities. We also developed a new evaluation benchmark which comprises four domain-specific text corpora and associated human-crafted QA pairs for testing. Our model shows remarkable performance improvement over generally aligned LLM and surpasses domain-adapted models directly fine-tuned on domain corpus. In particular, LLMiner achieves this with minimal human intervention, requiring only 600 seed instances, thereby providing a pathway towards self-improvement of LLMs through model-synthesized training data.

We introduce DeSTA2.5-Audio, a general-purpose Large Audio Language Model (LALM) designed for robust auditory perception and instruction-following, without requiring task-specific audio instruction-tuning. Recent LALMs typically augment Large Language Models (LLMs) with auditory capabilities by training on large-scale, manually curated or LLM-synthesized audio-instruction datasets. However, these approaches have often suffered from the catastrophic forgetting of the LLM's original language abilities. To address this, we revisit the data construction pipeline and propose DeSTA, a self-generated cross-modal alignment strategy in which the backbone LLM generates its own training targets. This approach preserves the LLM's native language proficiency while establishing effective audio-text alignment, thereby enabling zero-shot generalization without task-specific tuning. Using DeSTA, we construct DeSTA-AQA5M, a large-scale, task-agnostic dataset containing 5 million training samples derived from 7,000 hours of audio spanning 50 diverse datasets, including speech, environmental sounds, and music. DeSTA2.5-Audio achieves state-of-the-art or competitive performance across a wide range of audio-language benchmarks, including Dynamic-SUPERB, MMAU, SAKURA, Speech-IFEval, and VoiceBench. Comprehensive comparative studies demonstrate that our self-generated strategy outperforms widely adopted data construction and training strategies in both auditory perception and instruction-following capabilities. Our findings underscore the importance of carefully designed data construction in LALM development and offer practical insights for building robust, general-purpose LALMs.

Large "instruction-tuned" language models (finetuned to respond to instructions) have demonstrated a remarkable ability to generalize zero-shot to new tasks. Nevertheless, they depend heavily on human-written instruction data that is limited in quantity, diversity, and creativity, therefore hindering the generality of the tuned model. We introduce Self-Instruct, a framework for improving the instruction-following capabilities of pretrained language models by bootstrapping off its own generations. Our pipeline generates instruction, input, and output samples from a language model, then prunes them before using them to finetune the original model. Applying our method to vanilla GPT3, we demonstrate a 33% absolute improvement over the original model on Super-NaturalInstructions, on par with the performance of InstructGPT_001, which is trained with private user data and human annotations. For further evaluation, we curate a set of expert-written instructions for novel tasks, and show through human evaluation that tuning GPT3 with Self-Instruct outperforms using existing public instruction datasets by a large margin, leaving only a 5% absolute gap behind InstructGPT_001. Self-Instruct provides an almost annotation-free method for aligning pre-trained language models with instructions, and we release our large synthetic dataset to facilitate future studies on instruction tuning.

Large language models (LLMs) have demonstrated remarkable capabilities in complex reasoning tasks. However, existing approaches mainly rely on imitation learning and struggle to achieve effective test-time scaling. While reinforcement learning (RL) holds promise for enabling self-exploration and learning from feedback, recent attempts yield only modest improvements in complex reasoning. In this paper, we present T1 to scale RL by encouraging exploration and understand inference scaling. We first initialize the LLM using synthesized chain-of-thought data that integrates trial-and-error and self-verification. To scale RL training, we promote increased sampling diversity through oversampling. We further employ an entropy bonus as an auxiliary loss, alongside a dynamic anchor for regularization to facilitate reward optimization. We demonstrate that T1 with open LLMs as its base exhibits inference scaling behavior and achieves superior performance on challenging math reasoning benchmarks. For example, T1 with Qwen2.5-32B as the base model outperforms the recent Qwen QwQ-32B-Preview model on MATH500, AIME2024, and Omni-math-500. More importantly, we present a simple strategy to examine inference scaling, where increased inference budgets directly lead to T1's better performance without any additional verification. We will open-source the T1 models and the data used to train them at https://github.com/THUDM/T1.

Diffusion models have achieved state-of-the-art performance in generative modeling tasks across various domains. Prior works on time series diffusion models have primarily focused on developing conditional models tailored to specific forecasting or imputation tasks. In this work, we explore the potential of task-agnostic, unconditional diffusion models for several time series applications. We propose TSDiff, an unconditionally trained diffusion model for time series. Our proposed self-guidance mechanism enables conditioning TSDiff for downstream tasks during inference, without requiring auxiliary networks or altering the training procedure. We demonstrate the effectiveness of our method on three different time series tasks: forecasting, refinement, and synthetic data generation. First, we show that TSDiff is competitive with several task-specific conditional forecasting methods (predict). Second, we leverage the learned implicit probability density of TSDiff to iteratively refine the predictions of base forecasters with reduced computational overhead over reverse diffusion (refine). Notably, the generative performance of the model remains intact -- downstream forecasters trained on synthetic samples from TSDiff outperform forecasters that are trained on samples from other state-of-the-art generative time series models, occasionally even outperforming models trained on real data (synthesize).

Text detoxification aims to minimize the risk of language models producing toxic content. Existing detoxification methods of directly constraining the model output or further training the model on the non-toxic corpus fail to achieve a decent balance between detoxification effectiveness and generation quality. This issue stems from the neglect of constrain imposed by the context since language models are designed to generate output that closely matches the context while detoxification methods endeavor to ensure the safety of the output even if it semantically deviates from the context. In view of this, we introduce a Context-aware Model self-Detoxification~(CMD) framework that pays attention to both the context and the detoxification process, i.e., first detoxifying the context and then making the language model generate along the safe context. Specifically, CMD framework involves two phases: utilizing language models to synthesize data and applying these data for training. We also introduce a toxic contrastive loss that encourages the model generation away from the negative toxic samples. Experiments on various LLMs have verified the effectiveness of our MSD framework, which can yield the best performance compared to baselines.

Multimodal embedding models have gained significant attention for their ability to map data from different modalities, such as text and images, into a unified representation space. However, the limited labeled multimodal data often hinders embedding performance. Recent approaches have leveraged data synthesis to address this problem, yet the quality of synthetic data remains a critical bottleneck. In this work, we identify three criteria for high-quality synthetic multimodal data. First, broad scope ensures that the generated data covers diverse tasks and modalities, making it applicable to various downstream scenarios. Second, robust cross-modal alignment makes different modalities semantically consistent. Third, high fidelity ensures that the synthetic data maintains realistic details to enhance its reliability. Guided by these principles, we synthesize datasets that: (1) cover a wide range of tasks, modality combinations, and languages, (2) are generated via a deep thinking process within a single pass of a multimodal large language model, and (3) incorporate real-world images with accurate and relevant texts, ensuring fidelity through self-evaluation and refinement. Leveraging these high-quality synthetic and labeled datasets, we train a multimodal multilingual E5 model mmE5. Extensive experiments demonstrate that mmE5 achieves state-of-the-art performance on the MMEB Benchmark and superior multilingual performance on the XTD benchmark. Our codes, datasets and models are released in https://github.com/haon-chen/mmE5.

Post-training Large Language Models (LLMs) with explicit reasoning trajectories can enhance their reasoning abilities. However, acquiring such high-quality trajectory data typically demands meticulous supervision from humans or superior models, which can be either expensive or license-constrained. In this paper, we explore how far an LLM can improve its reasoning by self-synthesizing reasoning paths as training data without any additional supervision. Existing self-synthesizing methods, such as STaR, suffer from poor generalization to out-of-domain (OOD) reasoning tasks. We hypothesize it is due to that their self-synthesized reasoning paths are too task-specific, lacking general task-agnostic reasoning guidance. To address this, we propose Reasoning Generalist via Self-Improvement (ReGenesis), a method to self-synthesize reasoning paths as post-training data by progressing from abstract to concrete. More specifically, ReGenesis self-synthesizes reasoning paths by converting general reasoning guidelines into task-specific ones, generating reasoning structures, and subsequently transforming these structures into reasoning paths, without the need for human-designed task-specific examples used in existing methods. We show that ReGenesis achieves superior performance on all in-domain and OOD settings tested compared to existing methods. For six OOD tasks specifically, while previous methods exhibited an average performance decrease of approximately 4.6% after post training, ReGenesis delivers around 6.1% performance improvement. We also conduct in-depth analysis of our framework and show ReGenesis is effective across various LLMs and design choices.

Model collapse in synthetic data indicates that iterative training on self-generated data leads to a gradual decline in performance. With the proliferation of AI models, synthetic data will fundamentally reshape the web data ecosystem. Future GPT-{n} models will inevitably be trained on a blend of synthetic and human-produced data. In this paper, we focus on two questions: what is the impact of synthetic data on language model training, and how to synthesize data without model collapse? We first pre-train language models across different proportions of synthetic data, revealing a negative correlation between the proportion of synthetic data and model performance. We further conduct statistical analysis on synthetic data to uncover distributional shift phenomenon and over-concentration of n-gram features. Inspired by the above findings, we propose token editing on human-produced data to obtain semi-synthetic data. As a proof of concept, we theoretically demonstrate that token-level editing can prevent model collapse, as the test error is constrained by a finite upper bound. We conduct extensive experiments on pre-training from scratch, continual pre-training, and supervised fine-tuning. The results validate our theoretical proof that token-level editing improves data quality and enhances model performance.

Mathematical geometric problem solving (GPS) often requires effective integration of multimodal information and verifiable logical coherence. Despite the fast development of large language models in general problem solving, it remains unresolved regarding with both methodology and benchmarks, especially given the fact that exiting synthetic GPS benchmarks are often not self-verified and contain noise and self-contradicted information due to the illusion of LLMs. In this paper, we propose a scalable data engine called TrustGeoGen for problem generation, with formal verification to provide a principled benchmark, which we believe lays the foundation for the further development of methods for GPS. The engine synthesizes geometric data through four key innovations: 1) multimodal-aligned generation of diagrams, textual descriptions, and stepwise solutions; 2) formal verification ensuring rule-compliant reasoning paths; 3) a bootstrapping mechanism enabling complexity escalation via recursive state generation and 4) our devised GeoExplore series algorithms simultaneously produce multi-solution variants and self-reflective backtracking traces. By formal logical verification, TrustGeoGen produces GeoTrust-200K dataset with guaranteed modality integrity, along with GeoTrust-test testset. Experiments reveal the state-of-the-art models achieve only 49.17\% accuracy on GeoTrust-test, demonstrating its evaluation stringency. Crucially, models trained on GeoTrust achieve OOD generalization on GeoQA, significantly reducing logical inconsistencies relative to pseudo-label annotated by OpenAI-o1. Our code is available at https://github.com/Alpha-Innovator/TrustGeoGen

Synthetic data has become an important tool in the fine-tuning of language models to follow instructions and solve complex problems. Nevertheless, the majority of open data to date is often lacking multi-turn data and collected on closed models, limiting progress on advancing open fine-tuning methods. We introduce Self Directed Synthetic Dialogues (SDSD), an experimental dataset consisting of guided conversations of language models talking to themselves. The dataset consists of multi-turn conversations generated with DBRX, Llama 2 70B, and Mistral Large, all instructed to follow a conversation plan generated prior to the conversation. We also explore including principles from Constitutional AI and other related works to create synthetic preference data via revisions to the final conversation turn. We hope this work encourages further exploration in multi-turn data and the use of open models for expanding the impact of synthetic data.

Existing private synthetic data generation algorithms are agnostic to downstream tasks. However, end users may have specific requirements that the synthetic data must satisfy. Failure to meet these requirements could significantly reduce the utility of the data for downstream use. We introduce a post-processing technique that improves the utility of the synthetic data with respect to measures selected by the end user, while preserving strong privacy guarantees and dataset quality. Our technique involves resampling from the synthetic data to filter out samples that do not meet the selected utility measures, using an efficient stochastic first-order algorithm to find optimal resampling weights. Through comprehensive numerical experiments, we demonstrate that our approach consistently improves the utility of synthetic data across multiple benchmark datasets and state-of-the-art synthetic data generation algorithms.

The success of Large Language Models (LLMs) is inherently linked to the availability of vast, diverse, and high-quality data for training and evaluation. However, the growth rate of high-quality data is significantly outpaced by the expansion of training datasets, leading to a looming data exhaustion crisis. This underscores the urgent need to enhance data efficiency and explore new data sources. In this context, synthetic data has emerged as a promising solution. Currently, data generation primarily consists of two major approaches: data augmentation and synthesis. This paper comprehensively reviews and summarizes data generation techniques throughout the lifecycle of LLMs, including data preparation, pre-training, fine-tuning, instruction-tuning, preference alignment, and applications. Furthermore, We discuss the current constraints faced by these methods and investigate potential pathways for future development and research. Our aspiration is to equip researchers with a clear understanding of these methodologies, enabling them to swiftly identify appropriate data generation strategies in the construction of LLMs, while providing valuable insights for future exploration.

Object detection systems must reliably perceive objects of interest without being overly confident to ensure safe decision-making in dynamic environments. Filtering techniques based on out-of-distribution (OoD) detection are commonly added as an extra safeguard to filter hallucinations caused by overconfidence in novel objects. Nevertheless, evaluating YOLO-family detectors and their filters under existing OoD benchmarks often leads to unsatisfactory performance. This paper studies the underlying reasons for performance bottlenecks and proposes a methodology to improve performance fundamentally. Our first contribution is a calibration of all existing evaluation results: Although images in existing OoD benchmark datasets are claimed not to have objects within in-distribution (ID) classes (i.e., categories defined in the training dataset), around 13% of objects detected by the object detector are actually ID objects. Dually, the ID dataset containing OoD objects can also negatively impact the decision boundary of filters. These ultimately lead to a significantly imprecise performance estimation. Our second contribution is to consider the task of hallucination reduction as a joint pipeline of detectors and filters. By developing a methodology to carefully synthesize an OoD dataset that semantically resembles the objects to be detected, and using the crafted OoD dataset in the fine-tuning of YOLO detectors to suppress the objectness score, we achieve a 88% reduction in overall hallucination error with a combined fine-tuned detection and filtering system on the self-driving benchmark BDD-100K. Our code and dataset are available at: https://gricad-gitlab.univ-grenoble-alpes.fr/dnn-safety/m-hood.

The success of AI models relies on the availability of large, diverse, and high-quality datasets, which can be challenging to obtain due to data scarcity, privacy concerns, and high costs. Synthetic data has emerged as a promising solution by generating artificial data that mimics real-world patterns. This paper provides an overview of synthetic data research, discussing its applications, challenges, and future directions. We present empirical evidence from prior art to demonstrate its effectiveness and highlight the importance of ensuring its factuality, fidelity, and unbiasedness. We emphasize the need for responsible use of synthetic data to build more powerful, inclusive, and trustworthy language models.

This paper presents an effective transfer learning framework for language adaptation in text-to-speech systems, with a focus on achieving language adaptation using minimal labeled and unlabeled data. While many works focus on reducing the usage of labeled data, very few consider minimizing the usage of unlabeled data. By utilizing self-supervised features in the pretraining stage, replacing the noisy portion of pseudo labels with these features during fine-tuning, and incorporating an embedding initialization trick, our method leverages more information from unlabeled data compared to conventional approaches. Experimental results show that our framework is able to synthesize intelligible speech in unseen languages with only 4 utterances of labeled data and 15 minutes of unlabeled data. Our methodology continues to surpass conventional techniques, even when a greater volume of data is accessible. These findings highlight the potential of our data-efficient language adaptation framework.

In this paper, we propose a novel learning approach for feed-forward one-shot 4D head avatar synthesis. Different from existing methods that often learn from reconstructing monocular videos guided by 3DMM, we employ pseudo multi-view videos to learn a 4D head synthesizer in a data-driven manner, avoiding reliance on inaccurate 3DMM reconstruction that could be detrimental to the synthesis performance. The key idea is to first learn a 3D head synthesizer using synthetic multi-view images to convert monocular real videos into multi-view ones, and then utilize the pseudo multi-view videos to learn a 4D head synthesizer via cross-view self-reenactment. By leveraging a simple vision transformer backbone with motion-aware cross-attentions, our method exhibits superior performance compared to previous methods in terms of reconstruction fidelity, geometry consistency, and motion control accuracy. We hope our method offers novel insights into integrating 3D priors with 2D supervisions for improved 4D head avatar creation.

*Data Synthesis* is a promising way to train a small model with very little labeled data. One approach for data synthesis is to leverage the rich knowledge from large language models to synthesize pseudo training examples for small models, making it possible to achieve both data and compute efficiency at the same time. However, a key challenge in data synthesis is that the synthesized dataset often suffers from a large distributional discrepancy from the *real task* data distribution. Thus, in this paper, we propose *Synthesis Step by Step* (**S3**), a data synthesis framework that shrinks this distribution gap by iteratively extrapolating the errors made by a small model trained on the synthesized dataset on a small real-world validation dataset using a large language model. Extensive experiments on multiple NLP tasks show that our approach improves the performance of a small model by reducing the gap between the synthetic dataset and the real data, resulting in significant improvement compared to several baselines: 9.48% improvement compared to ZeroGen and 2.73% compared to GoldGen, and at most 15.17% improvement compared to the small model trained on human-annotated data.

Synthetic data generation with Large Language Models is a promising paradigm for augmenting natural data over a nearly infinite range of tasks. Given this variety, direct comparisons among synthetic data generation algorithms are scarce, making it difficult to understand where improvement comes from and what bottlenecks exist. We propose to evaluate algorithms via the makeup of synthetic data generated by each algorithm in terms of data quality, diversity, and complexity. We choose these three characteristics for their significance in open-ended processes and the impact each has on the capabilities of downstream models. We find quality to be essential for in-distribution model generalization, diversity to be essential for out-of-distribution generalization, and complexity to be beneficial for both. Further, we emphasize the existence of Quality-Diversity trade-offs in training data and the downstream effects on model performance. We then examine the effect of various components in the synthetic data pipeline on each data characteristic. This examination allows us to taxonomize and compare synthetic data generation algorithms through the components they utilize and the resulting effects on data QDC composition. This analysis extends into a discussion on the importance of balancing QDC in synthetic data for efficient reinforcement learning and self-improvement algorithms. Analogous to the QD trade-offs in training data, often there exist trade-offs between model output quality and output diversity which impact the composition of synthetic data. We observe that many models are currently evaluated and optimized only for output quality, thereby limiting output diversity and the potential for self-improvement. We argue that balancing these trade-offs is essential to the development of future self-improvement algorithms and highlight a number of works making progress in this direction.

Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural language text, we apply word embeddings from language models, which are fed into a named entity recognition model, upon which a conditional variational autoencoder is trained to generate syntheses for arbitrary materials. We show the potential of this technique by predicting precursors for two perovskite materials, using only training data published over a decade prior to their first reported syntheses. We demonstrate that the model learns representations of materials corresponding to synthesis-related properties, and that the model's behavior complements existing thermodynamic knowledge. Finally, we apply the model to perform synthesizability screening for proposed novel perovskite compounds.

We propose CoT-Self-Instruct, a synthetic data generation method that instructs LLMs to first reason and plan via Chain-of-Thought (CoT) based on the given seed tasks, and then to generate a new synthetic prompt of similar quality and complexity for use in LLM training, followed by filtering for high-quality data with automatic metrics. In verifiable reasoning, our synthetic data significantly outperforms existing training datasets, such as s1k and OpenMathReasoning, across MATH500, AMC23, AIME24 and GPQA-Diamond. For non-verifiable instruction-following tasks, our method surpasses the performance of human or standard self-instruct prompts on both AlpacaEval 2.0 and Arena-Hard.

Language agents have achieved considerable performance on various complex tasks. Despite the incessant exploration in this field, existing language agent systems still struggle with costly, non-reproducible data reliance and face the challenge of compelling a single model for multiple functions. To this end, we introduce AutoAct, an automatic agent learning framework that does not rely on large-scale annotated data and synthetic trajectories from closed-source models (e.g., GPT-4). Given limited data with a tool library, AutoAct first automatically synthesizes planning trajectories without any assistance from humans or strong closed-source models. Then, AutoAct leverages a division-of-labor strategy to automatically differentiate based on the target task information and synthesized trajectories, producing a sub-agent group to complete the task. We conduct comprehensive experiments with different LLMs, which demonstrates that AutoAct yields better or parallel performance compared to various strong baselines. We even notice that AutoAct, when using the Llama-2-13b model, can achieve performance comparable to that of the GPT-3.5-Turbo agent. Code will be available at https://github.com/zjunlp/AutoAct.

This paper studies the challenging task of makeup transfer, which aims to apply diverse makeup styles precisely and naturally to a given facial image. Due to the absence of paired data, current methods typically synthesize sub-optimal pseudo ground truths to guide the model training, resulting in low makeup fidelity. Additionally, different makeup styles generally have varying effects on the person face, but existing methods struggle to deal with this diversity. To address these issues, we propose a novel Self-supervised Hierarchical Makeup Transfer (SHMT) method via latent diffusion models. Following a "decoupling-and-reconstruction" paradigm, SHMT works in a self-supervised manner, freeing itself from the misguidance of imprecise pseudo-paired data. Furthermore, to accommodate a variety of makeup styles, hierarchical texture details are decomposed via a Laplacian pyramid and selectively introduced to the content representation. Finally, we design a novel Iterative Dual Alignment (IDA) module that dynamically adjusts the injection condition of the diffusion model, allowing the alignment errors caused by the domain gap between content and makeup representations to be corrected. Extensive quantitative and qualitative analyses demonstrate the effectiveness of our method. Our code is available at https://github.com/Snowfallingplum/SHMT.

Neural text-to-speech (TTS) has achieved human-like synthetic speech for single-speaker, single-language synthesis. Multilingual TTS systems are limited to resource-rich languages due to the lack of large paired text and studio-quality audio data. In most cases, TTS systems are built using a single speaker's voice. However, there is growing interest in developing systems that can synthesize voices for new speakers using only a few seconds of their speech. This paper presents ZMM-TTS, a multilingual and multispeaker framework utilizing quantized latent speech representations from a large-scale, pre-trained, self-supervised model. Our paper is the first to incorporate the representations from text-based and speech-based self-supervised learning models into multilingual speech synthesis tasks. We conducted comprehensive subjective and objective evaluations through a series of experiments. Our model has been proven effective in terms of speech naturalness and similarity for both seen and unseen speakers in six high-resource languages. We also tested the efficiency of our method on two hypothetical low-resource languages. The results are promising, indicating that our proposed approach can synthesize audio that is intelligible and has a high degree of similarity to the target speaker's voice, even without any training data for the new, unseen language.

Large language models (LLMs) show great potential for synthetic data generation. This work shows that useful data can be synthetically generated even for tasks that cannot be solved directly by the LLM: we show that, for problems with structured outputs, it is possible to prompt an LLM to perform the task in the opposite direction, to generate plausible text for the target structure. Leveraging the asymmetry in task difficulty makes it possible to produce large-scale, high-quality data for complex tasks. We demonstrate the effectiveness of this approach on closed information extraction, where collecting ground-truth data is challenging, and no satisfactory dataset exists to date. We synthetically generate a dataset of 1.8M data points, demonstrate its superior quality compared to existing datasets in a human evaluation and use it to finetune small models (220M and 770M parameters). The models we introduce, SynthIE, outperform existing baselines of comparable size with a substantial gap of 57 and 79 absolute points in micro and macro F1, respectively. Code, data, and models are available at https://github.com/epfl-dlab/SynthIE.

Large language models (LLMs) achieve strong performance across diverse tasks, largely driven by high-quality web data used in pre-training. However, recent studies indicate this data source is rapidly depleting. Synthetic data emerges as a promising alternative, but it remains unclear whether synthetic datasets exhibit predictable scalability comparable to raw pre-training data. In this work, we systematically investigate the scaling laws of synthetic data by introducing SynthLLM, a scalable framework that transforms pre-training corpora into diverse, high-quality synthetic datasets. Our approach achieves this by automatically extracting and recombining high-level concepts across multiple documents using a graph algorithm. Key findings from our extensive mathematical experiments on SynthLLM include: (1) SynthLLM generates synthetic data that reliably adheres to the rectified scaling law across various model sizes; (2) Performance improvements plateau near 300B tokens; and (3) Larger models approach optimal performance with fewer training tokens. For instance, an 8B model peaks at 1T tokens, while a 3B model requires 4T. Moreover, comparisons with existing synthetic data generation and augmentation methods demonstrate that SynthLLM achieves superior performance and scalability. Our findings highlight synthetic data as a scalable and reliable alternative to organic pre-training corpora, offering a viable path toward continued improvement in model performance.

Recent advances in video generation produce visually realistic content, yet the absence of synchronized audio severely compromises immersion. To address key challenges in video-to-audio generation, including multimodal data scarcity, modality imbalance and limited audio quality in existing methods, we propose HunyuanVideo-Foley, an end-to-end text-video-to-audio framework that synthesizes high-fidelity audio precisely aligned with visual dynamics and semantic context. Our approach incorporates three core innovations: (1) a scalable data pipeline curating 100k-hour multimodal datasets through automated annotation; (2) a representation alignment strategy using self-supervised audio features to guide latent diffusion training, efficiently improving audio quality and generation stability; (3) a novel multimodal diffusion transformer resolving modal competition, containing dual-stream audio-video fusion through joint attention, and textual semantic injection via cross-attention. Comprehensive evaluations demonstrate that HunyuanVideo-Foley achieves new state-of-the-art performance across audio fidelity, visual-semantic alignment, temporal alignment and distribution matching. The demo page is available at: https://szczesnys.github.io/hunyuanvideo-foley/.

Programming-by-example is the task of synthesizing a program that is consistent with a set of user-provided input-output examples. As examples are often an under-specification of one's intent, a good synthesizer must choose the intended program from the many that are consistent with the given set of examples. Prior work frames program synthesis as a cooperative game between a listener (that synthesizes programs) and a speaker (a user choosing examples), and shows that models of computational pragmatic inference are effective in choosing the user intended programs. However, these models require counterfactual reasoning over a large set of programs and examples, which is infeasible in realistic program spaces. In this paper, we propose a novel way to amortize this search with neural networks. We sample pairs of programs and examples via self-play between listener and speaker models, and use pragmatic inference to choose informative training examples from this sample.We then use the informative dataset to train models to improve the synthesizer's ability to disambiguate user-provided examples without human supervision. We validate our method on the challenging task of synthesizing regular expressions from example strings, and find that our method (1) outperforms models trained without choosing pragmatic examples by 23% (a 51% relative increase) (2) matches the performance of supervised learning on a dataset of pragmatic examples provided by humans, despite using no human data in training.

Artificial Intelligence (AI) research often aims to develop models that can generalize reliably across complex datasets, yet this remains challenging in fields where data is scarce, intricate, or inaccessible. This paper introduces a novel approach that leverages three generative models of varying complexity to synthesize one of the most demanding structured datasets: Malicious Network Traffic. Our approach uniquely transforms numerical data into text, re-framing data generation as a language modeling task, which not only enhances data regularization but also significantly improves generalization and the quality of the synthetic data. Extensive statistical analyses demonstrate that our method surpasses state-of-the-art generative models in producing high-fidelity synthetic data. Additionally, we conduct a comprehensive study on synthetic data applications, effectiveness, and evaluation strategies, offering valuable insights into its role across various domains. Our code and pre-trained models are openly accessible at Github, enabling further exploration and application of our methodology. Index Terms: Data synthesis, machine learning, traffic generation, privacy preserving data, generative models.

Optimization modeling is fundamental to decision-making across diverse domains.Despite progress in automating optimization formulation from natural language descriptions, Large Language Models (LLMs) often struggle to generate formally correct and usable models due to hallucinations, posing a challenge for reliable automation. Inspired by the success of Reinforcement Learning (RL) in enhancing Large Reasoning Models, we present Solver-Informed Reinforcement Learning (SIRL).This novel framework leverages external optimization solvers as verifiable reward mechanisms to significantly improve the authenticity of LLMs for optimization modeling.Acting as precise verifiers, these solvers automatically assess the executable code and the instance-level mathematical model represented by the associated LP file, yielding precise and comprehensive feedback signals -- including syntax, feasibility, and solution quality that directly inform the RL process. This automated verification process, powered by classic optimization solvers, also underpins our instance-enhanced self-consistency method to synthesize high-quality training data. Extensive experiments on diverse public benchmarks demonstrate that SIRL achieves state-of-the-art performance, substantially outperforming existing methods in generating accurate and executable optimization models.

Generating synthetic data that faithfully captures the statistical structure of real-world distributions is a fundamental challenge in data modeling. Classical approaches often depend on strong parametric assumptions or manual structural design and struggle in high-dimensional or heterogeneous domains. Recent progress in Large Language Models (LLMs) reveals their potential as flexible, high-dimensional priors over real-world distributions. However, when applied to data synthesis, standard LLM-based sampling is inefficient, constrained by fixed context limits, and fails to ensure statistical alignment. Given this, we introduce LLMSynthor, a general framework for data synthesis that transforms LLMs into structure-aware simulators guided by distributional feedback. LLMSynthor treats the LLM as a nonparametric copula simulator for modeling high-order dependencies and introduces LLM Proposal Sampling to generate grounded proposal distributions that improve sampling efficiency without requiring rejection. By minimizing discrepancies in the summary statistics space, the iterative synthesis loop aligns real and synthetic data while gradually uncovering and refining the latent generative structure. We evaluate LLMSynthor in both controlled and real-world settings using heterogeneous datasets in privacy-sensitive domains (e.g., e-commerce, population, and mobility) that encompass both structured and unstructured formats. The synthetic data produced by LLMSynthor shows high statistical fidelity, practical utility, and cross-data adaptability, positioning it as a valuable tool across economics, social science, urban studies, and beyond.

Recent advances in large language models (LLMs) have improved their performance on coding benchmarks. However, improvement is plateauing due to the exhaustion of readily available high-quality data. Prior work has shown the potential of synthetic self-instruct data, but naively training on a model's own outputs can cause error accumulation, especially in coding tasks, where generalization may collapse due to overly simple or erroneous training data, highlighting the need for rigorous quality checks on synthetic data. In this work, we explore an effective approach whereby the model itself verifies the correctness of its own data. We thus propose Sol-Ver, a self-play solver-verifier framework that jointly improves a single model's code and test generation capacity. By iteratively refining code (LLM-as-a-solver) and tests (LLM-as-a-verifier) together, we boost both capabilities without relying on human annotations or larger teacher models. Experiments with the Llama 3.1 8B model demonstrate substantial performance enhancements, achieving average relative improvements of 19.63% in code generation and 17.49% in test generation on MBPP and LiveCodeBench.

The rapid progress in generative models has resulted in impressive leaps in generation quality, blurring the lines between synthetic and real data. Web-scale datasets are now prone to the inevitable contamination by synthetic data, directly impacting the training of future generated models. Already, some theoretical results on self-consuming generative models (a.k.a., iterative retraining) have emerged in the literature, showcasing that either model collapse or stability could be possible depending on the fraction of generated data used at each retraining step. However, in practice, synthetic data is often subject to human feedback and curated by users before being used and uploaded online. For instance, many interfaces of popular text-to-image generative models, such as Stable Diffusion or Midjourney, produce several variations of an image for a given query which can eventually be curated by the users. In this paper, we theoretically study the impact of data curation on iterated retraining of generative models and show that it can be seen as an implicit preference optimization mechanism. However, unlike standard preference optimization, the generative model does not have access to the reward function or negative samples needed for pairwise comparisons. Moreover, our study doesn't require access to the density function, only to samples. We prove that, if the data is curated according to a reward model, then the expected reward of the iterative retraining procedure is maximized. We further provide theoretical results on the stability of the retraining loop when using a positive fraction of real data at each step. Finally, we conduct illustrative experiments on both synthetic datasets and on CIFAR10 showing that such a procedure amplifies biases of the reward model.

Within the evolving landscape of deep learning, the dilemma of data quantity and quality has been a long-standing problem. The recent advent of Large Language Models (LLMs) offers a data-centric solution to alleviate the limitations of real-world data with synthetic data generation. However, current investigations into this field lack a unified framework and mostly stay on the surface. Therefore, this paper provides an organization of relevant studies based on a generic workflow of synthetic data generation. By doing so, we highlight the gaps within existing research and outline prospective avenues for future study. This work aims to shepherd the academic and industrial communities towards deeper, more methodical inquiries into the capabilities and applications of LLMs-driven synthetic data generation.

Self-supervised features are the cornerstone of modern machine learning systems. They are typically pre-trained on data collections whose construction and curation typically require extensive human effort. This manual process has some limitations similar to those encountered in supervised learning, e.g., the crowd-sourced selection of data is costly and time-consuming, preventing scaling the dataset size. In this work, we consider the problem of automatic curation of high-quality datasets for self-supervised pre-training. We posit that such datasets should be large, diverse and balanced, and propose a clustering-based approach for building ones satisfying all these criteria. Our method involves successive and hierarchical applications of k-means on a large and diverse data repository to obtain clusters that distribute uniformly among data concepts, followed by a hierarchical, balanced sampling step from these clusters. Extensive experiments on three different data domains including web-based images, satellite images and text show that features trained on our automatically curated datasets outperform those trained on uncurated data while being on par or better than ones trained on manually curated data.

Data synthesis has been advocated as an important approach for utilizing data while protecting data privacy. A large number of tabular data synthesis algorithms (which we call synthesizers) have been proposed. Some synthesizers satisfy Differential Privacy, while others aim to provide privacy in a heuristic fashion. A comprehensive understanding of the strengths and weaknesses of these synthesizers remains elusive due to drawbacks in evaluation metrics and missing head-to-head comparisons of newly developed synthesizers that take advantage of diffusion models and large language models with state-of-the-art marginal-based synthesizers. In this paper, we present a systematic evaluation framework for assessing tabular data synthesis algorithms. Specifically, we examine and critique existing evaluation metrics, and introduce a set of new metrics in terms of fidelity, privacy, and utility to address their limitations. Based on the proposed metrics, we also devise a unified objective for tuning, which can consistently improve the quality of synthetic data for all methods. We conducted extensive evaluations of 8 different types of synthesizers on 12 real-world datasets and identified some interesting findings, which offer new directions for privacy-preserving data synthesis.

Modern front-end (FE) development, especially when leveraging the unique features of frameworks like React and Vue, presents distinctive challenges. These include managing modular architectures, ensuring synchronization between data and visual outputs for declarative rendering, and adapting reusable components to various scenarios. Such complexities make it particularly difficult for state-of-the-art large vision-language models (VLMs) to generate accurate and functional code directly from design images. To address these challenges, we propose a reflective agentic workflow that synthesizes high-quality image-text data to capture the diverse characteristics of FE development. This workflow automates the extraction of self-containedA \textbf{self-contained code snippet is one that encapsulates all necessary logic, styling, and dependencies, ensuring it functions independently without requiring external imports or context.} code snippets from real-world projects, renders the corresponding visual outputs, and generates detailed descriptions that link design elements to functional code. To further expand the scope and utility of the synthesis, we introduce three data synthesis strategies: Evolution-based synthesis, which enables scalable and diverse dataset expansion; Waterfall-Model-based synthesis, which generates logically coherent code derived from system requirements; and Additive Development synthesis, which iteratively increases the complexity of human-authored components. We build a large vision-language model, Flame, trained on the synthesized datasets and demonstrate its effectiveness in generating React code via the pass@k metric. Our results suggest that a code VLM trained to interpret images before code generation may achieve better performance.

Synthetic data is becoming increasingly important for accelerating the development of language models, both large and small. Despite several successful use cases, researchers also raised concerns around model collapse and drawbacks of imitating other models. This discrepancy can be attributed to the fact that synthetic data varies in quality and diversity. Effective use of synthetic data usually requires significant human effort in curating the data. We focus on using synthetic data for post-training, specifically creating data by powerful models to teach a new skill or behavior to another model, we refer to this setting as Generative Teaching. We introduce AgentInstruct, an extensible agentic framework for automatically creating large amounts of diverse and high-quality synthetic data. AgentInstruct can create both the prompts and responses, using only raw data sources like text documents and code files as seeds. We demonstrate the utility of AgentInstruct by creating a post training dataset of 25M pairs to teach language models different skills, such as text editing, creative writing, tool usage, coding, reading comprehension, etc. The dataset can be used for instruction tuning of any base model. We post-train Mistral-7b with the data. When comparing the resulting model Orca-3 to Mistral-7b-Instruct (which uses the same base model), we observe significant improvements across many benchmarks. For example, 40% improvement on AGIEval, 19% improvement on MMLU, 54% improvement on GSM8K, 38% improvement on BBH and 45% improvement on AlpacaEval. Additionally, it consistently outperforms other models such as LLAMA-8B-instruct and GPT-3.5-turbo.

This research delves into the construction and utilization of synthetic datasets, specifically within the telematics sphere, leveraging OpenAI's powerful language model, ChatGPT. Synthetic datasets present an effective solution to challenges pertaining to data privacy, scarcity, and control over variables - characteristics that make them particularly valuable for research pursuits. The utility of these datasets, however, largely depends on their quality, measured through the lenses of diversity, relevance, and coherence. To illustrate this data creation process, a hands-on case study is conducted, focusing on the generation of a synthetic telematics dataset. The experiment involved an iterative guidance of ChatGPT, progressively refining prompts and culminating in the creation of a comprehensive dataset for a hypothetical urban planning scenario in Columbus, Ohio. Upon generation, the synthetic dataset was subjected to an evaluation, focusing on the previously identified quality parameters and employing descriptive statistics and visualization techniques for a thorough analysis. Despite synthetic datasets not serving as perfect replacements for actual world data, their potential in specific use-cases, when executed with precision, is significant. This research underscores the potential of AI models like ChatGPT in enhancing data availability for complex sectors like telematics, thus paving the way for a myriad of new research opportunities.

Artificial Intelligence (AI) advancement is heavily dependent on access to large-scale, high-quality training data. However, in specialized domains such as healthcare, data acquisition faces significant constraints due to privacy regulations, ethical considerations, and limited availability. While synthetic data generation offers a promising solution, conventional approaches typically require substantial real data for training generative models. The emergence of large-scale prompt-based models presents new opportunities for synthetic data generation without direct access to protected data. However, crafting effective prompts for domain-specific data generation remains challenging, and manual prompt engineering proves insufficient for achieving output with sufficient precision and authenticity. We review recent developments in automatic prompt optimization, following PRISMA guidelines. We analyze six peer-reviewed studies published between 2020 and 2024 that focus on automatic data-free prompt optimization methods. Our analysis reveals three approaches: feedback-driven, error-based, and control-theoretic. Although all approaches demonstrate promising capabilities in prompt refinement and adaptation, our findings suggest the need for an integrated framework that combines complementary optimization techniques to enhance synthetic data generation while minimizing manual intervention. We propose future research directions toward developing robust, iterative prompt optimization frameworks capable of improving the quality of synthetic data. This advancement can be particularly crucial for sensitive fields and in specialized domains where data access is restricted, potentially transforming how we approach synthetic data generation for AI development.

Synthetic data generation has become an increasingly popular way of training models without the need for large, manually labeled datasets. For tasks like text embedding, synthetic data offers diverse and scalable training examples, significantly reducing the cost of human annotation. However, most current approaches rely heavily on proprietary models like GPT-4, which are expensive and inefficient for generating large-scale embedding data. In this paper, we introduce SPEED, a framework that aligns open-source small models (8B) to efficiently generate large-scale synthetic embedding data. Through supervised fine-tuning, preference optimization, and self-improvement, SPEED enables small open-source models to produce high-quality data. Remarkably, SPEED uses only less than 1/10 of the GPT API calls, outperforming the state-of-the-art embedding model E5_mistral when both are trained solely on their synthetic data. Using this efficient generator, we conduct a comprehensive study on how various factors within the alignment pipeline impact data quality and reveal the scaling law for synthetic embedding data.

Recent advances have spurred incredible progress in self-supervised pretraining for vision. We investigate what factors may play a role in the utility of these pretraining methods for practitioners. To do this, we evaluate various self-supervised algorithms across a comprehensive array of synthetic datasets and downstream tasks. We prepare a suite of synthetic data that enables an endless supply of annotated images as well as full control over dataset difficulty. Our experiments offer insights into how the utility of self-supervision changes as the number of available labels grows as well as how the utility changes as a function of the downstream task and the properties of the training data. We also find that linear evaluation does not correlate with finetuning performance. Code and data is available at https://www.github.com/princeton-vl/selfstudy{github.com/princeton-vl/selfstudy}.

The ability to research and synthesize knowledge is central to human expertise and progress. An emerging class of systems promises these exciting capabilities through generative research synthesis, performing retrieval over the live web and synthesizing discovered sources into long-form, cited summaries. However, evaluating such systems remains an open challenge: existing question-answering benchmarks focus on short-form factual responses, while expert-curated datasets risk staleness and data contamination. Both fail to capture the complexity and evolving nature of real research synthesis tasks. In this work, we introduce DeepScholar-bench, a live benchmark and holistic, automated evaluation framework designed to evaluate generative research synthesis. DeepScholar-bench draws queries from recent, high-quality ArXiv papers and focuses on a real research synthesis task: generating the related work sections of a paper by retrieving, synthesizing, and citing prior research. Our evaluation framework holistically assesses performance across three key dimensions, knowledge synthesis, retrieval quality, and verifiability. We also develop DeepScholar-base, a reference pipeline implemented efficiently using the LOTUS API. Using the DeepScholar-bench framework, we perform a systematic evaluation of prior open-source systems, search AI's, OpenAI's DeepResearch, and DeepScholar-base. We find that DeepScholar-base establishes a strong baseline, attaining competitive or higher performance than each other method. We also find that DeepScholar-bench remains far from saturated, with no system exceeding a score of 19% across all metrics. These results underscore the difficulty of DeepScholar-bench, as well as its importance for progress towards AI systems capable of generative research synthesis. We make our code available at https://github.com/guestrin-lab/deepscholar-bench.

Deep generative models have made tremendous progress in modeling complex data, often exhibiting generation quality that surpasses a typical human's ability to discern the authenticity of samples. Undeniably, a key driver of this success is enabled by the massive amounts of web-scale data consumed by these models. Due to these models' striking performance and ease of availability, the web will inevitably be increasingly populated with synthetic content. Such a fact directly implies that future iterations of generative models must contend with the reality that their training is curated from both clean data and artificially generated data from past models. In this paper, we develop a framework to rigorously study the impact of training generative models on mixed datasets (of real and synthetic data) on their stability. We first prove the stability of iterative training under the condition that the initial generative models approximate the data distribution well enough and the proportion of clean training data (w.r.t. synthetic data) is large enough. We empirically validate our theory on both synthetic and natural images by iteratively training normalizing flows and state-of-the-art diffusion models on CIFAR10 and FFHQ.

Large language models have demonstrated impressive capabilities across various natural language processing tasks, especially in solving mathematical problems. However, large language models are not good at math theorem proving using formal languages like Lean. A significant challenge in this area is the scarcity of training data available in these formal languages. To address this issue, we propose a novel pipeline that iteratively generates and filters synthetic data to translate natural language mathematical problems into Lean 4 statements, and vice versa. Our results indicate that the synthetic data pipeline can provide useful training data and improve the performance of LLMs in translating and understanding complex mathematical problems and proofs. Our final dataset contains about 57K formal-informal question pairs along with searched proof from the math contest forum and 21 new IMO questions. We open-source our code at https://github.com/InternLM/InternLM-Math and our data at https://huggingface.co/datasets/InternLM/Lean-Workbook.

Recent advancements in generative models have unlocked the capabilities to render photo-realistic data in a controllable fashion. Trained on the real data, these generative models are capable of producing realistic samples with minimal to no domain gap, as compared to the traditional graphics rendering. However, using the data generated using such models for training downstream tasks remains under-explored, mainly due to the lack of 3D consistent annotations. Moreover, controllable generative models are learned from massive data and their latent space is often too vast to obtain meaningful sample distributions for downstream task with limited generation. To overcome these challenges, we extract 3D consistent annotations from an existing controllable generative model, making the data useful for downstream tasks. Our experiments show competitive performance against state-of-the-art models using only generated synthetic data, demonstrating potential for solving downstream tasks. Project page: https://synth-forge.github.io

LLMs demonstrate remarkable capabilities in following natural language instructions, largely due to instruction-tuning on high-quality datasets. While synthetic data generation has emerged as a scalable approach for creating such datasets, maintaining consistent quality standards remains challenging. Recent approaches incorporate feedback to improve data quality, but typically operate at the sample level, generating and applying feedback for each response individually. In this work, we propose Reference-Level Feedback, a novel methodology that instead collects feedback based on high-quality reference samples from carefully curated seed data. We use this feedback to capture rich signals of desirable characteristics and propagate it throughout the data synthesis process. We present REFED, a dataset of 10K instruction-response pairs synthesized using such feedback. We demonstrate the effectiveness of our approach by showing that Llama-3.1-8B-Instruct finetuned on REFED achieves state-of-the-art performance among similar-sized SFT-based models on AlpacaEval 2.0 and strong results on Arena-Hard. Through extensive experiments, we show that our approach consistently outperforms traditional sample-level feedback methods with significantly fewer feedback collections and improves performance across different model architectures.

Reinforcement learning (RL) is a powerful way to adapt foundation models to specialized tasks, but its reliance on large-scale human-labeled data limits broad adoption. We introduce Synthetic Data RL, a simple and general framework that reinforcement fine-tunes models using only synthetic data generated from a task definition. Our method first generates question and answer pairs from the task definition and retrieved documents, then adapts the difficulty of the question based on model solvability, and selects questions using the average pass rate of the model across samples for RL training. On Qwen-2.5-7B, our method achieves a 29.2% absolute improvement over the base model on GSM8K (+2.9 pp vs. instruction-tuned, +6.6 pp vs. Self-Instruct), 8.7% on MATH, 13.1% on GPQA (+7.0 pp vs. SynthLLM), 8.9% on MedQA, 17.7% on CQA (law) and 13.7% on CFA (finance). It surpasses supervised fine-tuning under the same data budget and nearly matches RL with full human data across datasets (e.g., +17.2 pp on GSM8K). Adding 100 human demonstrations improves the performance of GSM8K only by 0.4 pp, showing a limited added value. By reducing human data annotation, Synthetic Data RL enables scalable and efficient RL-based model adaptation. Code and demos are available at https://github.com/gydpku/Data_Synthesis_RL/.

Although existing neural retrieval models reveal promising results when training data is abundant and the performance keeps improving as training data increases, collecting high-quality annotated data is prohibitively costly. To this end, we introduce a novel noisy self-training framework combined with synthetic queries, showing that neural retrievers can be improved in a self-evolution manner with no reliance on any external models. Experimental results show that our method improves consistently over existing methods on both general-domain (e.g., MS-MARCO) and out-of-domain (i.e., BEIR) retrieval benchmarks. Extra analysis on low-resource settings reveals that our method is data efficient and outperforms competitive baselines, with as little as 30% of labelled training data. Further extending the framework for reranker training demonstrates that the proposed method is general and yields additional gains on tasks of diverse domains.Source code is available at \url{https://github.com/Fantabulous-J/Self-Training-DPR}

Recent text-to-image generation models have shown promising results in generating high-fidelity photo-realistic images. Though the results are astonishing to human eyes, how applicable these generated images are for recognition tasks remains under-explored. In this work, we extensively study whether and how synthetic images generated from state-of-the-art text-to-image generation models can be used for image recognition tasks, and focus on two perspectives: synthetic data for improving classification models in data-scarce settings (i.e. zero-shot and few-shot), and synthetic data for large-scale model pre-training for transfer learning. We showcase the powerfulness and shortcomings of synthetic data from existing generative models, and propose strategies for better applying synthetic data for recognition tasks. Code: https://github.com/CVMI-Lab/SyntheticData.

The widespread adoption of synthetic data raises new questions about how models generating the data can influence other large language models (LLMs) via distilled data. To start, our work exhaustively characterizes the impact of passive inheritance of model properties by systematically studying the consequences of synthetic data integration. We provide one of the most comprehensive studies to-date of how the source of synthetic data shapes models' internal biases, calibration and generations' textual attributes and preferences. We find that models are surprisingly sensitive towards certain attributes even when the synthetic data prompts appear "neutral". which invites the question whether this sensitivity can be exploited for good. Our findings invite the question can we explicitly steer the models towards the properties we want at test time by exploiting the data generation process? This would have historically been considered infeasible due to the cost of collecting data with a specific characteristic or objective in mind. However, improvement in the quality of synthetic data, as well as a shift towards general-purpose models designed to follow a diverse way of instructions, means this question is timely. We propose active inheritance as a term to describe intentionally constraining synthetic data according to a non-differentiable objective. We demonstrate how active inheritance can steer the generation profiles of models towards desirable non-differentiable attributes, e.g. high lexical diversity or low toxicity.

Function calling significantly extends the application boundary of large language models, where high-quality and diverse training data is critical for unlocking this capability. However, real function-calling data is quite challenging to collect and annotate, while synthetic data generated by existing pipelines tends to lack coverage and accuracy. In this paper, we present ToolACE, an automatic agentic pipeline designed to generate accurate, complex, and diverse tool-learning data. ToolACE leverages a novel self-evolution synthesis process to curate a comprehensive API pool of 26,507 diverse APIs. Dialogs are further generated through the interplay among multiple agents, guided by a formalized thinking process. To ensure data accuracy, we implement a dual-layer verification system combining rule-based and model-based checks. We demonstrate that models trained on our synthesized data, even with only 8B parameters, achieve state-of-the-art performance on the Berkeley Function-Calling Leaderboard, rivaling the latest GPT-4 models. Our model and a subset of the data are publicly available at https://huggingface.co/Team-ACE.

The sharp increase in data-related expenses has motivated research into condensing datasets while retaining the most informative features. Dataset distillation has thus recently come to the fore. This paradigm generates synthetic datasets that are representative enough to replace the original dataset in training a neural network. To avoid redundancy in these synthetic datasets, it is crucial that each element contains unique features and remains diverse from others during the synthesis stage. In this paper, we provide a thorough theoretical and empirical analysis of diversity within synthesized datasets. We argue that enhancing diversity can improve the parallelizable yet isolated synthesizing approach. Specifically, we introduce a novel method that employs dynamic and directed weight adjustment techniques to modulate the synthesis process, thereby maximizing the representativeness and diversity of each synthetic instance. Our method ensures that each batch of synthetic data mirrors the characteristics of a large, varying subset of the original dataset. Extensive experiments across multiple datasets, including CIFAR, Tiny-ImageNet, and ImageNet-1K, demonstrate the superior performance of our method, highlighting its effectiveness in producing diverse and representative synthetic datasets with minimal computational expense. Our code is available at https://github.com/AngusDujw/Diversity-Driven-Synthesis.https://github.com/AngusDujw/Diversity-Driven-Synthesis.

The pursuit of diverse, complex, and large-scale instruction data is crucial for automatically aligning large language models (LLMs). While there are methods capable of generating synthetic instructions at scale, they either suffer from limited grounding sources, leading to a narrow distribution, or rely on trivial extensions that fail to produce meaningful trajectories in terms of complexity. In contrast, instructions that benefit efficient alignment are typically crafted with cognitive insights and grounded in real-world use cases. In this paper, we synthesize such instructions using attributed grounding, which involves 1) a top-down attribution process that grounds a selective set of real instructions to situated users, and 2) a bottom-up synthesis process that leverages web documents to first generate a situation, then a meaningful instruction. This framework allows us to harvest diverse and complex instructions at scale, utilizing the vast range of web documents. Specifically, we construct a dataset of 1 million instructions, called SynthQuestions, and demonstrate that models trained on it achieve leading performance on several common benchmarks, with improvements that continually scale with more web corpora. Data, models and codes will be available at https://github.com/Ignoramus0817/SynthQuestions.

Large language models (LLMs) have unlocked new possibilities for generating synthetic training data in both natural language and code. By producing artificial but task-relevant examples, these models can significantly augment or even replace real-world datasets, especially when labeled data is scarce or sensitive. This paper surveys recent advances in using LLMs to create synthetic text and code, emphasizing prompt-based generation, retrieval-augmented pipelines, and iterative self-refinement. We show how these methods enrich low-resource tasks such as classification and question answering, as well as code-centric applications such as instruction tuning, code translation, and bug repair, by enabling automated verification of functional correctness. Alongside potential benefits like cost-effectiveness, broad coverage, and controllable diversity, we address challenges such as factual inaccuracies in generated text, lack of stylistic realism, and the risk of bias amplification. Proposed mitigations include filtering and weighting outputs and reinforcement learning with execution feedback for code. We conclude with open research directions like automated prompt engineering, cross-modal data synthesis, and robust evaluation frameworks, highlighting the importance of LLM-generated synthetic data in advancing AI while emphasizing ethical and quality safeguards.

Mathematical reasoning is a cornerstone of human intelligence and a key benchmark for advanced capabilities in large language models (LLMs). However, the research community still lacks an open, large-scale, high-quality corpus tailored to the demands of math-centric LLM pre-training. We present MegaMath, an open dataset curated from diverse, math-focused sources through following practices: (1) Revisiting web data: We re-extracted mathematical documents from Common Crawl with math-oriented HTML optimizations, fasttext-based filtering and deduplication, all for acquiring higher-quality data on the Internet. (2) Recalling Math-related code data: We identified high quality math-related code from large code training corpus, Stack-V2, further enhancing data diversity. (3) Exploring Synthetic data: We synthesized QA-style text, math-related code, and interleaved text-code blocks from web data or code data. By integrating these strategies and validating their effectiveness through extensive ablations, MegaMath delivers 371B tokens with the largest quantity and top quality among existing open math pre-training datasets.

Despite long-standing efforts in accelerating scientific discovery with AI, building AI co-scientists remains challenging due to limited high-quality data for training and evaluation. To tackle this data scarcity issue, we present AutoSDT, an automatic pipeline that collects high-quality coding tasks in real-world data-driven discovery workflows. AutoSDT leverages the coding capabilities and parametric knowledge of LLMs to search for diverse sources, select ecologically valid tasks, and synthesize accurate task instructions and code solutions. Using our pipeline, we construct AutoSDT-5K, a dataset of 5,404 coding tasks for data-driven discovery that covers four scientific disciplines and 756 unique Python packages. To the best of our knowledge, AutoSDT-5K is the only automatically collected and the largest open dataset for data-driven scientific discovery. Expert feedback on a subset of 256 tasks shows the effectiveness of AutoSDT: 93% of the collected tasks are ecologically valid, and 92.2% of the synthesized programs are functionally correct. Trained on AutoSDT-5K, the Qwen2.5-Coder-Instruct LLM series, dubbed AutoSDT-Coder, show substantial improvement on two challenging data-driven discovery benchmarks, ScienceAgentBench and DiscoveryBench. Most notably, AutoSDT-Coder-32B reaches the same level of performance as GPT-4o on ScienceAgentBench with a success rate of 7.8%, doubling the performance of its base model. On DiscoveryBench, it lifts the hypothesis matching score to 8.1, bringing a 17.4% relative improvement and closing the gap between open-weight models and GPT-4o.

The advent of Large Language Model (LLM)-powered agents has revolutionized artificial intelligence by enabling solutions to complex, open-ended tasks through web-based information-seeking (IS) capabilities. The scarcity of high-quality training data has limited the development of IS agents. Existing approaches typically adopt an information-driven paradigm that first collects web data and then generates questions based on the retrieval. However, this may lead to inconsistency between information structure and reasoning structure, question and answer. To mitigate, we propose a formalization-driven IS data synthesis framework WebShaper to construct a dataset. WebShaper systematically formalizes IS tasks through set theory. Central to the formalization is the concept of Knowledge Projections (KP), which enables precise control over reasoning structure by KP operation compositions. During synthesis, we begin by creating seed tasks, then use a multi-step expansion process. At each step, an agentic Expander expands the current formal question more complex with retrieval and validation tools based on our formalization. We train our model on the synthesized dataset. Experiment results demonstrate that WebShaper achieves state-of-the-art performance among open-sourced IS agents on GAIA and WebWalkerQA benchmarks.

The availability of high-quality data is one of the most important factors in improving the reasoning capability of LLMs. Existing works have demonstrated the effectiveness of creating more instruction data from seed questions or knowledge bases. Recent research indicates that continually scaling up data synthesis from strong models (e.g., GPT-4) can further elicit reasoning performance. Though promising, the open-sourced community still lacks high-quality data at scale and scalable data synthesis methods with affordable costs. To address this, we introduce ScaleQuest, a scalable and novel data synthesis method that utilizes "small-size" (e.g., 7B) open-source models to generate questions from scratch without the need for seed data with complex augmentation constraints. With the efficient ScaleQuest, we automatically constructed a mathematical reasoning dataset consisting of 1 million problem-solution pairs, which are more effective than existing open-sourced datasets. It can universally increase the performance of mainstream open-source models (i.e., Mistral, Llama3, DeepSeekMath, and Qwen2-Math) by achieving 29.2% to 46.4% gains on MATH. Notably, simply fine-tuning the Qwen2-Math-7B-Base model with our dataset can even surpass Qwen2-Math-7B-Instruct, a strong and well-aligned model on closed-source data, and proprietary models such as GPT-4-Turbo and Claude-3.5 Sonnet.

Generative text-to-image models enable us to synthesize unlimited amounts of images in a controllable manner, spurring many recent efforts to train vision models with synthetic data. However, every synthetic image ultimately originates from the upstream data used to train the generator. What additional value does the intermediate generator provide over directly training on relevant parts of the upstream data? Grounding this question in the setting of image classification,a we compare finetuning on task-relevant, targeted synthetic data generated by Stable Diffusion -- a generative model trained on the LAION-2B dataset -- against finetuning on targeted real images retrieved directly from LAION-2B. We show that while synthetic data can benefit some downstream tasks, it is universally matched or outperformed by real data from our simple retrieval baseline. Our analysis suggests that this underperformance is partially due to generator artifacts and inaccurate task-relevant visual details in the synthetic images. Overall, we argue that retrieval is a critical baseline to consider when training with synthetic data -- a baseline that current methods do not yet surpass. We release code, data, and models at https://github.com/scottgeng00/unmet-promise.

Recent works improving LLM math reasoning with synthetic data have used unique setups, making comparison of data synthesis strategies impractical. This leaves many unanswered questions about the roles of different factors in the synthetic data pipeline, such as the impact of filtering low-quality problems. To address this gap, we introduce FLAMES, a Framework for LLM Assessment of Math rEasoning Data Synthesis, and perform a systematic study of 10 existing data synthesis strategies and multiple other factors impacting the performance of synthetic math reasoning data. Our FLAMES experiments provide several valuable insights about the optimal balance of difficulty and diversity of synthetic data. First, data agents designed to increase problem complexity lead to best improvements on most math metrics. Second, with a fixed data generation budget, keeping higher problem coverage is more important than keeping only problems with reliable solutions. Third, GSM8K- and MATH-based synthetic data can lead to improvements on competition-level benchmarks, showcasing easy-to-hard generalization. Leveraging insights from our FLAMES experiments, we design two novel data synthesis strategies for improving out-of-domain generalization and robustness. Further, we develop the FLAMES dataset, an effective blend of our novel and existing data synthesis strategies, outperforming public datasets on OlympiadBench (+15.7), CollegeMath (+4.5), GSMPlus (+6.5), and MATH (+3.1). Fine-tuning Qwen2.5-Math-7B on the FLAMES dataset achieves 81.4% on MATH, surpassing larger Llama3 405B, GPT-4o and Claude 3.5 Sonnet.

Cluster analysis relies on effective benchmarks for evaluating and comparing different algorithms. Simulation studies on synthetic data are popular because important features of the data sets, such as the overlap between clusters, or the variation in cluster shapes, can be effectively varied. Unfortunately, creating evaluation scenarios is often laborious, as practitioners must translate higher-level scenario descriptions like "clusters with very different shapes" into lower-level geometric parameters such as cluster centers, covariance matrices, etc. To make benchmarks more convenient and informative, we propose synthetic data generation based on direct specification of high-level scenarios, either through verbal descriptions or high-level geometric parameters. Our open-source Python package repliclust implements this workflow, making it easy to set up interpretable and reproducible benchmarks for cluster analysis. A demo of data generation from verbal inputs is available at https://demo.repliclust.org.

Deep learning in computer vision has achieved great success with the price of large-scale labeled training data. However, exhaustive data annotation is impracticable for each task of all domains of interest, due to high labor costs and unguaranteed labeling accuracy. Besides, the uncontrollable data collection process produces non-IID training and test data, where undesired duplication may exist. All these nuisances may hinder the verification of typical theories and exposure to new findings. To circumvent them, an alternative is to generate synthetic data via 3D rendering with domain randomization. We in this work push forward along this line by doing profound and extensive research on bare supervised learning and downstream domain adaptation. Specifically, under the well-controlled, IID data setting enabled by 3D rendering, we systematically verify the typical, important learning insights, e.g., shortcut learning, and discover the new laws of various data regimes and network architectures in generalization. We further investigate the effect of image formation factors on generalization, e.g., object scale, material texture, illumination, camera viewpoint, and background in a 3D scene. Moreover, we use the simulation-to-reality adaptation as a downstream task for comparing the transferability between synthetic and real data when used for pre-training, which demonstrates that synthetic data pre-training is also promising to improve real test results. Lastly, to promote future research, we develop a new large-scale synthetic-to-real benchmark for image classification, termed S2RDA, which provides more significant challenges for transfer from simulation to reality. The code and datasets are available at https://github.com/huitangtang/On_the_Utility_of_Synthetic_Data.

The capability gap between open-source and closed-source large language models (LLMs) remains a challenge in text-to-SQL tasks. In this paper, we introduce a synthetic data approach that combines data produced by larger, more powerful models (strong models) with error information data generated by smaller, not well-aligned models (weak models). The method not only enhances the domain generalization of text-to-SQL models but also explores the potential of error data supervision through preference learning. Furthermore, we employ the synthetic data approach for instruction tuning on open-source LLMs, resulting SENSE, a specialized text-to-SQL model. The effectiveness of SENSE is demonstrated through state-of-the-art results on the SPIDER and BIRD benchmarks, bridging the performance gap between open-source models and methods prompted by closed-source models.

Generating synthetic data through generative models is gaining interest in the ML community and beyond, promising a future where datasets can be tailored to individual needs. Unfortunately, synthetic data is usually not perfect, resulting in potential errors in downstream tasks. In this work we explore how the generative process affects the downstream ML task. We show that the naive synthetic data approach -- using synthetic data as if it is real -- leads to downstream models and analyses that do not generalize well to real data. As a first step towards better ML in the synthetic data regime, we introduce Deep Generative Ensemble (DGE) -- a framework inspired by Deep Ensembles that aims to implicitly approximate the posterior distribution over the generative process model parameters. DGE improves downstream model training, evaluation, and uncertainty quantification, vastly outperforming the naive approach on average. The largest improvements are achieved for minority classes and low-density regions of the original data, for which the generative uncertainty is largest.

We introduce SelfCite, a novel self-supervised approach that aligns LLMs to generate high-quality, fine-grained, sentence-level citations for the statements in their generated responses. Instead of only relying on costly and labor-intensive annotations, SelfCite leverages a reward signal provided by the LLM itself through context ablation: If a citation is necessary, removing the cited text from the context should prevent the same response; if sufficient, retaining the cited text alone should preserve the same response. This reward can guide the inference-time best-of-N sampling strategy to improve citation quality significantly, as well as be used in preference optimization to directly fine-tune the models for generating better citations. The effectiveness of SelfCite is demonstrated by increasing citation F1 up to 5.3 points on the LongBench-Cite benchmark across five long-form question answering tasks.

Instruction tuning has emerged as the key in aligning large language models (LLMs) with specific task instructions, thereby mitigating the discrepancy between the next-token prediction objective and users' actual goals. To reduce the labor and time cost to collect or annotate data by humans, researchers start to explore the use of LLMs to generate instruction-aligned synthetic data. Recent works focus on generating diverse instructions and applying LLM to increase instruction complexity, often neglecting downstream use cases. It remains unclear how to tailor high-quality data to elicit better instruction-following abilities in different target instruction distributions and LLMs. To this end, we introduce CodecLM, a general framework for adaptively generating high-quality synthetic data for LLM alignment with different downstream instruction distributions and LLMs. Drawing on the Encode-Decode principles, we use LLMs as codecs to guide the data generation process. We first encode seed instructions into metadata, which are concise keywords generated on-the-fly to capture the target instruction distribution, and then decode metadata to create tailored instructions. We also introduce Self-Rubrics and Contrastive Filtering during decoding to tailor data-efficient samples. Extensive experiments on four open-domain instruction following benchmarks validate the effectiveness of CodecLM over the current state-of-the-arts.

Cypher, the query language for Neo4j graph databases, plays a critical role in enabling graph-based analytics and data exploration. While substantial research has been dedicated to natural language to SQL query generation (Text2SQL), the analogous problem for graph databases referred to as Text2Cypher remains underexplored. In this work, we introduce SynthCypher, a fully synthetic and automated data generation pipeline designed to address this gap. SynthCypher employs a novel LLMSupervised Generation-Verification framework, ensuring syntactically and semantically correct Cypher queries across diverse domains and query complexities. Using this pipeline, we create SynthCypher Dataset, a large-scale benchmark containing 29.8k Text2Cypher instances. Fine-tuning open-source large language models (LLMs), including LLaMa-3.1- 8B, Mistral-7B, and QWEN-7B, on SynthCypher yields significant performance improvements of up to 40% on the Text2Cypher test set and 30% on the SPIDER benchmark adapted for graph databases. This work demonstrates that high-quality synthetic data can effectively advance the state-of-the-art in Text2Cypher tasks.

Materials synthesis is vital for innovations such as energy storage, catalysis, electronics, and biomedical devices. Yet, the process relies heavily on empirical, trial-and-error methods guided by expert intuition. Our work aims to support the materials science community by providing a practical, data-driven resource. We have curated a comprehensive dataset of 17K expert-verified synthesis recipes from open-access literature, which forms the basis of our newly developed benchmark, AlchemyBench. AlchemyBench offers an end-to-end framework that supports research in large language models applied to synthesis prediction. It encompasses key tasks, including raw materials and equipment prediction, synthesis procedure generation, and characterization outcome forecasting. We propose an LLM-as-a-Judge framework that leverages large language models for automated evaluation, demonstrating strong statistical agreement with expert assessments. Overall, our contributions offer a supportive foundation for exploring the capabilities of LLMs in predicting and guiding materials synthesis, ultimately paving the way for more efficient experimental design and accelerated innovation in materials science.

Recent advances in synthetic data generation (SDG) have been hailed as a solution to the difficult problem of sharing sensitive data while protecting privacy. SDG aims to learn statistical properties of real data in order to generate "artificial" data that are structurally and statistically similar to sensitive data. However, prior research suggests that inference attacks on synthetic data can undermine privacy, but only for specific outlier records. In this work, we introduce a new attribute inference attack against synthetic data. The attack is based on linear reconstruction methods for aggregate statistics, which target all records in the dataset, not only outliers. We evaluate our attack on state-of-the-art SDG algorithms, including Probabilistic Graphical Models, Generative Adversarial Networks, and recent differentially private SDG mechanisms. By defining a formal privacy game, we show that our attack can be highly accurate even on arbitrary records, and that this is the result of individual information leakage (as opposed to population-level inference). We then systematically evaluate the tradeoff between protecting privacy and preserving statistical utility. Our findings suggest that current SDG methods cannot consistently provide sufficient privacy protection against inference attacks while retaining reasonable utility. The best method evaluated, a differentially private SDG mechanism, can provide both protection against inference attacks and reasonable utility, but only in very specific settings. Lastly, we show that releasing a larger number of synthetic records can improve utility but at the cost of making attacks far more effective.

We investigate the use of randomly generated data for the sake of pre-training a model. We justify this approach theoretically from the perspective of algorithmic complexity, building on recent research that shows that sequence models can be trained to approximate Solomonoff induction. We derive similar, but complementary theoretical results. We show empirically that synthetically generated data can be used to pre-train a model before the data is seen. We replicate earlier results that models trained this way show zero-shot in-context learning across a variety of datasets, and that this performance improves with scale. We extend earlier results to real-world data, and show that finetuning a model after pre-training offers faster convergence and better generalization.

Self-supervised learning excels at learning representations from large amounts of data. At the same time, generative models offer the complementary property of learning information about the underlying data generation process. In this study, we aim at establishing a principled connection between these two paradigms and highlight the benefits of their complementarity. In particular, we perform an analysis of self-supervised learning objectives, elucidating the underlying probabilistic graphical models and presenting a standardized methodology for their derivation from first principles. The analysis suggests a natural means of integrating self-supervised learning with likelihood-based generative models. We instantiate this concept within the realm of cluster-based self-supervised learning and energy models, introducing a lower bound proven to reliably penalize the most important failure modes and unlocking full unification. Our theoretical findings are substantiated through experiments on synthetic and real-world data, including SVHN, CIFAR10, and CIFAR100, demonstrating that our objective function allows to jointly train a backbone network in a discriminative and generative fashion, consequently outperforming existing self-supervised learning strategies in terms of clustering, generation and out-of-distribution detection performance by a wide margin. We also demonstrate that the solution can be integrated into a neuro-symbolic framework to tackle a simple yet non-trivial instantiation of the symbol grounding problem. The code is publicly available at https://github.com/emsansone/GEDI.

Personalization in Information Retrieval (IR) is a topic studied by the research community since a long time. However, there is still a lack of datasets to conduct large-scale evaluations of personalized IR; this is mainly due to the fact that collecting and curating high-quality user-related information requires significant costs and time investment. Furthermore, the creation of datasets for Personalized IR (PIR) tasks is affected by both privacy concerns and the need for accurate user-related data, which are often not publicly available. Recently, researchers have started to explore the use of Large Language Models (LLMs) to generate synthetic datasets, which is a possible solution to generate data for low-resource tasks. In this paper, we investigate the potential of Large Language Models (LLMs) for generating synthetic documents to train an IR system for a Personalized Community Question Answering task. To study the effectiveness of IR models fine-tuned on LLM-generated data, we introduce a new dataset, named Sy-SE-PQA. We build Sy-SE-PQA based on an existing dataset, SE-PQA, which consists of questions and answers posted on the popular StackExchange communities. Starting from questions in SE-PQA, we generate synthetic answers using different prompt techniques and LLMs. Our findings suggest that LLMs have high potential in generating data tailored to users' needs. The synthetic data can replace human-written training data, even if the generated data may contain incorrect information.

The improvement of LLMs' instruction-following capabilities depends critically on the availability of high-quality instruction-response pairs. While existing automatic data synthetic methods alleviate the burden of manual curation, they often rely heavily on either the quality of seed data or strong assumptions about the structure and content of web documents. To tackle these challenges, we propose Web Reconstruction (WebR), a fully automated framework for synthesizing high-quality instruction-tuning (IT) data directly from raw web documents with minimal assumptions. Leveraging the inherent diversity of raw web content, we conceptualize web reconstruction as an instruction-tuning data synthesis task via a novel dual-perspective paradigm--Web as Instruction and Web as Response--where each web document is designated as either an instruction or a response to trigger the reconstruction process. Comprehensive experiments show that datasets generated by WebR outperform state-of-the-art baselines by up to 16.65% across four instruction-following benchmarks. Notably, WebR demonstrates superior compatibility, data efficiency, and scalability, enabling enhanced domain adaptation with minimal effort. The data and code are publicly available at https://github.com/YJiangcm/WebR.

Recent advances in large language model (LLM) pretraining have shown that simply scaling data quantity eventually leads to diminishing returns, hitting a data wall. In response, the use of synthetic data for pretraining has emerged as a promising paradigm for pushing the frontier of performance. Despite this, the factors affecting synthetic data quality remain poorly understood. In this work, we introduce BeyondWeb, a synthetic data generation framework that produces high-quality synthetic data for pretraining. BeyondWeb significantly extends the capabilities of traditional web-scale datasets, outperforming state-of-the-art synthetic pretraining datasets such as Cosmopedia and Nemotron-CC's high-quality synthetic subset (Nemotron-Synth) by up to 5.1 percentage points (pp) and 2.6pp, respectively, when averaged across a suite of 14 benchmark evaluations. It delivers up to 7.7x faster training than open web data and 2.7x faster than Nemotron-Synth. Remarkably, a 3B model trained for 180B tokens on BeyondWeb outperforms an 8B model trained for the same token budget on Cosmopedia. We also present several insights from BeyondWeb on synthetic data for pretraining: what drives its benefits, which data to rephrase and how, and the impact of model size and family on data quality. Overall, our work shows that there's no silver bullet for generating high-quality synthetic pretraining data. The best outcomes require jointly optimizing many factors, a challenging task that requires rigorous science and practical expertise. Naive approaches can yield modest improvements, potentially at great cost, while well-executed methods can yield transformative improvements, as exemplified by BeyondWeb.

Advances in generative models have transformed the field of synthetic image generation for privacy-preserving data synthesis (PPDS). However, the field lacks a comprehensive survey and comparison of synthetic image generation methods across diverse settings. In particular, when we generate synthetic images for the purpose of training a classifier, there is a pipeline of generation-sampling-classification which takes private training as input and outputs the final classifier of interest. In this survey, we systematically categorize existing image synthesis methods, privacy attacks, and mitigations along this generation-sampling-classification pipeline. To empirically compare diverse synthesis approaches, we provide a benchmark with representative generative methods and use model-agnostic membership inference attacks (MIAs) as a measure of privacy risk. Through this study, we seek to answer critical questions in PPDS: Can synthetic data effectively replace real data? Which release strategy balances utility and privacy? Do mitigations improve the utility-privacy tradeoff? Which generative models perform best across different scenarios? With a systematic evaluation of diverse methods, our study provides actionable insights into the utility-privacy tradeoffs of synthetic data generation methods and guides the decision on optimal data releasing strategies for real-world applications.

Large language models (LLMs) are versatile and can address many tasks, but for computational efficiency, it is often desirable to distill their capabilities into smaller student models. One way to do this for classification tasks is via dataset synthesis, which can be accomplished by generating examples of each label from the LLM. Prior approaches to synthesis use few-shot prompting, which relies on the LLM's parametric knowledge to generate usable examples. However, this leads to issues of repetition, bias towards popular entities, and stylistic differences from human text. In this work, we propose Synthesize by Retrieval and Refinement (SynthesizRR), which uses retrieval augmentation to introduce variety into the dataset synthesis process: as retrieved passages vary, the LLM is "seeded" with different content to generate its examples. We empirically study the synthesis of six datasets, covering topic classification, sentiment analysis, tone detection, and humor, requiring complex synthesis strategies. We find SynthesizRR greatly improves lexical and semantic diversity, similarity to human-written text, and distillation performance, when compared to standard 32-shot prompting and six baseline approaches.

Exploiting the recent advancements in artificial intelligence, showcased by ChatGPT and DALL-E, in real-world applications necessitates vast, domain-specific, and publicly accessible datasets. Unfortunately, the scarcity of such datasets poses a significant challenge for researchers aiming to apply these breakthroughs in engineering design. Synthetic datasets emerge as a viable alternative. However, practitioners are often uncertain about generating high-quality datasets that accurately represent real-world data and are suitable for the intended downstream applications. This study aims to fill this knowledge gap by proposing comprehensive guidelines for generating, annotating, and validating synthetic datasets. The trade-offs and methods associated with each of these aspects are elaborated upon. Further, the practical implications of these guidelines are illustrated through the creation of a turbo-compressors dataset. The study underscores the importance of thoughtful sampling methods to ensure the appropriate size, diversity, utility, and realism of a dataset. It also highlights that design diversity does not equate to performance diversity or realism. By employing test sets that represent uniform, real, or task-specific samples, the influence of sample size and sampling strategy is scrutinized. Overall, this paper offers valuable insights for researchers intending to create and publish synthetic datasets for engineering design, thereby paving the way for more effective applications of AI advancements in the field. The code and data for the dataset and methods are made publicly accessible at https://github.com/cyrilpic/radcomp .

The rapid advancements in generative AI and large language models (LLMs) have opened up new avenues for producing synthetic data, particularly in the realm of structured tabular formats, such as product reviews. Despite the potential benefits, concerns regarding privacy leakage have surfaced, especially when personal information is utilized in the training datasets. In addition, there is an absence of a comprehensive evaluation framework capable of quantitatively measuring the quality of the generated synthetic data and their utility for downstream tasks. In response to this gap, we introduce SynEval, an open-source evaluation framework designed to assess the fidelity, utility, and privacy preservation of synthetically generated tabular data via a suite of diverse evaluation metrics. We validate the efficacy of our proposed framework - SynEval - by applying it to synthetic product review data generated by three state-of-the-art LLMs: ChatGPT, Claude, and Llama. Our experimental findings illuminate the trade-offs between various evaluation metrics in the context of synthetic data generation. Furthermore, SynEval stands as a critical instrument for researchers and practitioners engaged with synthetic tabular data,, empowering them to judiciously determine the suitability of the generated data for their specific applications, with an emphasis on upholding user privacy.

Proof assistants like Lean have revolutionized mathematical proof verification, ensuring high accuracy and reliability. Although large language models (LLMs) show promise in mathematical reasoning, their advancement in formal theorem proving is hindered by a lack of training data. To address this issue, we introduce an approach to generate extensive Lean 4 proof data derived from high-school and undergraduate-level mathematical competition problems. This approach involves translating natural language problems into formal statements, filtering out low-quality statements, and generating proofs to create synthetic data. After fine-tuning the DeepSeekMath 7B model on this synthetic dataset, which comprises 8 million formal statements with proofs, our model achieved whole-proof generation accuracies of 46.3% with 64 samples and 52% cumulatively on the Lean 4 miniF2F test, surpassing the baseline GPT-4 at 23.0% with 64 samples and a tree search reinforcement learning method at 41.0%. Additionally, our model successfully proved 5 out of 148 problems in the Lean 4 Formalized International Mathematical Olympiad (FIMO) benchmark, while GPT-4 failed to prove any. These results demonstrate the potential of leveraging large-scale synthetic data to enhance theorem-proving capabilities in LLMs. Both the synthetic dataset and the model will be made available to facilitate further research in this promising field.

Advancements in machine learning and artificial intelligence are transforming materials discovery. Yet, the availability of structured experimental data remains a bottleneck. The vast corpus of scientific literature presents a valuable and rich resource of such data. However, manual dataset creation from these resources is challenging due to issues in maintaining quality and consistency, scalability limitations, and the risk of human error and bias. Therefore, in this work, we develop a chemist AI agent, powered by large language models (LLMs), to overcome these challenges by autonomously creating structured datasets from natural language text, ranging from sentences and paragraphs to extensive scientific research articles. Our chemist AI agent, Eunomia, can plan and execute actions by leveraging the existing knowledge from decades of scientific research articles, scientists, the Internet and other tools altogether. We benchmark the performance of our approach in three different information extraction tasks with various levels of complexity, including solid-state impurity doping, metal-organic framework (MOF) chemical formula, and property relations. Our results demonstrate that our zero-shot agent, with the appropriate tools, is capable of attaining performance that is either superior or comparable to the state-of-the-art fine-tuned materials information extraction methods. This approach simplifies compilation of machine learning-ready datasets for various materials discovery applications, and significantly ease the accessibility of advanced natural language processing tools for novice users in natural language. The methodology in this work is developed as an open-source software on https://github.com/AI4ChemS/Eunomia.

Despite the rapid development of large language models (LLMs), a fundamental challenge persists: the lack of high-quality optimization modeling datasets hampers LLMs' robust modeling of practical optimization problems from natural language descriptions (NL). This data scarcity also contributes to the generalization difficulties experienced by learning-based methods. To address these challenges, we propose a scalable framework for synthesizing a high-quality dataset, named OptMATH. Starting from curated seed data with mathematical formulations (MF), this framework automatically generates problem data (PD) with controllable complexity. Then, a back-translation step is employed to obtain NL. To verify the correspondence between the NL and the PD, a forward modeling step followed by rejection sampling is used. The accepted pairs constitute the training part of OptMATH. Then a collection of rejected pairs is identified and further filtered. This collection serves as a new benchmark for optimization modeling, containing difficult instances whose lengths are much longer than these of NL4OPT and MAMO. Through extensive experiments, we demonstrate that models of various sizes (0.5B-32B parameters) trained on OptMATH achieve superior results on multiple modeling benchmarks, thereby validating the effectiveness and scalability of our approach. Our dataset is publicly available at https://github.com/AuroraLHL/OptMATH.

In order to fully harness the potential of machine learning, it is crucial to establish a system that renders the field more accessible and less daunting for individuals who may not possess a comprehensive understanding of its intricacies. The paper describes the design of a system that integrates AutoML, XAI, and synthetic data generation to provide a great UX design for users. The system allows users to navigate and harness the power of machine learning while abstracting its complexities and providing high usability. The paper proposes two novel classifiers, Logistic Regression Forest and Support Vector Tree, for enhanced model performance, achieving 96\% accuracy on a diabetes dataset and 93\% on a survey dataset. The paper also introduces a model-dependent local interpreter called MEDLEY and evaluates its interpretation against LIME, Greedy, and Parzen. Additionally, the paper introduces LLM-based synthetic data generation, library-based data generation, and enhancing the original dataset with GAN. The findings on synthetic data suggest that enhancing the original dataset with GAN is the most reliable way to generate synthetic data, as evidenced by KS tests, standard deviation, and feature importance. The authors also found that GAN works best for quantitative datasets.

Large language models (LLMs) with extended context windows enable tasks requiring extensive information integration but are limited by the scarcity of high-quality, diverse datasets for long-context instruction tuning. Existing data synthesis methods focus narrowly on objectives like fact retrieval and summarization, restricting their generalizability to complex, real-world tasks. WildLong extracts meta-information from real user queries, models co-occurrence relationships via graph-based methods, and employs adaptive generation to produce scalable data. It extends beyond single-document tasks to support multi-document reasoning, such as cross-document comparison and aggregation. Our models, finetuned on 150K instruction-response pairs synthesized using WildLong, surpasses existing open-source long-context-optimized models across benchmarks while maintaining strong performance on short-context tasks without incorporating supplementary short-context data. By generating a more diverse and realistic long-context instruction dataset, WildLong enhances LLMs' ability to generalize to complex, real-world reasoning over long contexts, establishing a new paradigm for long-context data synthesis.

We introduce HunyuanProver, an language model finetuned from the Hunyuan 7B for interactive automatic theorem proving with LEAN4. To alleviate the data sparsity issue, we design a scalable framework to iterative synthesize data with low cost. Besides, guided tree search algorithms are designed to enable effective ``system 2 thinking`` of the prover. HunyuanProver achieves state-of-the-art (SOTA) performances on major benchmarks. Specifically, it achieves a pass of 68.4% on the miniF2F-test compared to 65.9%, the current SOTA results. It proves 4 IMO statements (imo_1960_p2, imo_1962_p2}, imo_1964_p2 and imo_1983_p6) in miniF2F-test. To benefit the community, we will open-source a dataset of 30k synthesized instances, where each instance contains the original question in natural language, the converted statement by autoformalization, and the proof by HunyuanProver.

Recent improvements in synthetic data generation make it possible to produce images that are highly photorealistic and indistinguishable from real ones. Furthermore, synthetic generation pipelines have the potential to generate an unlimited number of images. The combination of high photorealism and scale turn the synthetic data into a promising candidate for potentially improving various machine learning (ML) pipelines. Thus far, a large body of research in this field has focused on using synthetic images for training, by augmenting and enlarging training data. In contrast to using synthetic data for training, in this work we explore whether synthetic data can be beneficial for model selection. Considering the task of image classification, we demonstrate that when data is scarce, synthetic data can be used to replace the held out validation set, thus allowing to train on a larger dataset.

Formal proofs are challenging to write even for experienced experts. Recent progress in Neural Theorem Proving (NTP) shows promise in expediting this process. However, the formal corpora available on the Internet are limited compared to the general text, posing a significant data scarcity challenge for NTP. To address this issue, this work proposes Alchemy, a general framework for data synthesis that constructs formal theorems through symbolic mutation. Specifically, for each candidate theorem in Mathlib, we identify all invocable theorems that can be used to rewrite or apply to it. Subsequently, we mutate the candidate theorem by replacing the corresponding term in the statement with its equivalent form or antecedent. As a result, our method increases the number of theorems in Mathlib by an order of magnitude, from 110k to 6M. Furthermore, we perform continual pretraining and supervised finetuning on this augmented corpus for large language models. Experimental results demonstrate the effectiveness of our approach, achieving a 5% absolute performance improvement on Leandojo benchmark. Additionally, our synthetic data achieve a 2.5% absolute performance gain on the out-of-distribution miniF2F benchmark. To provide further insights, we conduct a comprehensive analysis of synthetic data composition and the training paradigm, offering valuable guidance for developing a strong theorem prover.

Many methods now exist for conditioning model outputs on task instructions, retrieved documents, and user-provided explanations and feedback. Rather than relying solely on examples of task inputs and outputs, these approaches use valuable additional data for improving model correctness and aligning learned models with human priors. Meanwhile, a growing body of evidence suggests that some language models can (1) store a large amount of knowledge in their parameters, and (2) perform inference over tasks in textual inputs at test time. These results raise the possibility that, for some tasks, humans cannot explain to a model any more about the task than it already knows or could infer on its own. In this paper, we study the circumstances under which explanations of individual data points can (or cannot) improve modeling performance. In order to carefully control important properties of the data and explanations, we introduce a synthetic dataset for experiments, and we also make use of three existing datasets with explanations: e-SNLI, TACRED, and SemEval. We first give a formal framework for the available modeling approaches, in which explanation data can be used as model inputs, as targets, or as a prior. After arguing that the most promising role for explanation data is as model inputs, we propose to use a retrieval-based method and show that it solves our synthetic task with accuracies upwards of 95%, while baselines without explanation data achieve below 65% accuracy. We then identify properties of datasets for which retrieval-based modeling fails. With the three existing datasets, we find no improvements from explanation retrieval. Drawing on findings from our synthetic task, we suggest that at least one of six preconditions for successful modeling fails to hold with these datasets. Our code is publicly available at https://github.com/peterbhase/ExplanationRoles

Tabular data is among the oldest and most ubiquitous forms of data. However, the generation of synthetic samples with the original data's characteristics remains a significant challenge for tabular data. While many generative models from the computer vision domain, such as variational autoencoders or generative adversarial networks, have been adapted for tabular data generation, less research has been directed towards recent transformer-based large language models (LLMs), which are also generative in nature. To this end, we propose GReaT (Generation of Realistic Tabular data), which exploits an auto-regressive generative LLM to sample synthetic and yet highly realistic tabular data. Furthermore, GReaT can model tabular data distributions by conditioning on any subset of features; the remaining features are sampled without additional overhead. We demonstrate the effectiveness of the proposed approach in a series of experiments that quantify the validity and quality of the produced data samples from multiple angles. We find that GReaT maintains state-of-the-art performance across numerous real-world and synthetic data sets with heterogeneous feature types coming in various sizes.

This paper presents a new tool learning dataset Seal-Tools, which contains self-instruct API-like tools. Seal-Tools not only offers a large number of tools, but also includes instances which demonstrate the practical application of tools. Seeking to generate data on a large scale while ensuring reliability, we propose a self-instruct method to generate tools and instances, allowing precise control over the process. Moreover, our Seal-Tools contains hard instances that call multiple tools to complete the job, among which some are nested tool callings. For precise and comprehensive evaluation, we use strict format control and design three metrics from different dimensions. Therefore, Seal-Tools can serve as a new benchmark to evaluate the tool-calling ability of LLMs. Finally, we evaluate several prevalent LLMs and our finetuned model on Seal-Tools. The results show that current systems are far from perfect. The code, data and experiment results are available at https://github.com/fairyshine/Seal-Tools .

Large monolithic generative models trained on massive amounts of data have become an increasingly dominant approach in AI research. In this paper, we argue that we should instead construct large generative systems by composing smaller generative models together. We show how such a compositional generative approach enables us to learn distributions in a more data-efficient manner, enabling generalization to parts of the data distribution unseen at training time. We further show how this enables us to program and construct new generative models for tasks completely unseen at training. Finally, we show that in many cases, we can discover separate compositional components from data.

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from local and discrete features of a representation. These features allow symbolic programs to be improved one module at a time and to experience combinatorial growth in the values they can successfully process. However, it is difficult to design a component that can be used to form symbolic abstractions and which is adequately overparametrized to learn arbitrary high-dimensional transformations. I present Graph-based Symbolically Synthesized Neural Networks (G-SSNNs), a class of neural modules that operate on representations modified with synthesized symbolic programs to include a fixed set of local and discrete features. I demonstrate that the choice of injected features within a G-SSNN module modulates the data efficiency and generalization of baseline neural models, creating predictable patterns of both heightened and curtailed generalization. By training G-SSNNs, we also derive information about desirable semantics of symbolic programs without manual engineering. This information is compact and amenable to abstraction, but can also be flexibly recontextualized for other high-dimensional settings. In future work, I will investigate data efficient generalization and the transferability of learned symbolic representations in more complex G-SSNN designs based on more complex classes of symbolic programs. Experimental code and data are available at https://github.com/shlomenu/symbolically_synthesized_networks .

Recent breakthroughs in large language modeling have facilitated rigorous exploration of their application in diverse tasks related to tabular data modeling, such as prediction, tabular data synthesis, question answering, and table understanding. Each task presents unique challenges and opportunities. However, there is currently a lack of comprehensive review that summarizes and compares the key techniques, metrics, datasets, models, and optimization approaches in this research domain. This survey aims to address this gap by consolidating recent progress in these areas, offering a thorough survey and taxonomy of the datasets, metrics, and methodologies utilized. It identifies strengths, limitations, unexplored territories, and gaps in the existing literature, while providing some insights for future research directions in this vital and rapidly evolving field. It also provides relevant code and datasets references. Through this comprehensive review, we hope to provide interested readers with pertinent references and insightful perspectives, empowering them with the necessary tools and knowledge to effectively navigate and address the prevailing challenges in the field.

Acquiring high-quality instruction-code pairs is essential for training Large Language Models (LLMs) for code generation. Manually curated data is expensive and inherently limited in scale, motivating the development of code-centric synthesis methods. Yet, current approaches either focus on augmenting existing code or rely on predefined heuristics, both lacking rigorous data validation, which results in synthetic data that is ungrounded, repetitive, or overly simplistic. Inspired by collaborative programming practices, we propose CodeEvo, a framework that synthesizes code data through iterative interactions between two LLM agents: a Coder, which generates candidate code and test cases based on given instructions, and a Reviewer, which guides the synthesis process by producing new instructions and feedback. We further introduce a hybrid feedback mechanism that combines compiler determinism with the generative flexibility of agents, enabling automatic quality control throughout synthesis. Extensive experiments demonstrate that models fine-tuned on CodeEvo data significantly outperform established baselines across code generation benchmarks with various difficulties. In-depth analyses further provide insights from multiple perspectives into effective code-centric data synthesis.

The industry is rich in cases when we are required to make forecasting for large amounts of time series at once. However, we might be in a situation where we can not afford to train a separate model for each of them. Such issue in time series modeling remains without due attention. The remedy for this setting is the establishment of a foundation model. Such a model is expected to work in zero-shot and few-shot regimes. However, what should we take as a training dataset for such kind of model? Witnessing the benefits from the enrichment of NLP datasets with artificially-generated data, we might want to adopt their experience for time series. In contrast to natural language, the process of generation of synthetic time series data is even more favorable because it provides full control of series patterns, time horizons, and number of samples. In this work, we consider the essential question if it is advantageous to train a foundation model on synthetic data or it is better to utilize only a limited number of real-life examples. Our experiments are conducted only for regular time series and speak in favor of leveraging solely the real time series. Moreover, the choice of the proper source dataset strongly influences the performance during inference. When provided access even to a limited quantity of short time series data, employing it within a supervised framework yields more favorable results than training on a larger volume of synthetic data. The code for our experiments is publicly available on Github https://github.com/sb-ai-lab/synthesize_or_not.

Despite the impressive performance of large language models (LLMs) in general domains, they often underperform in specialized domains. Existing approaches typically rely on data synthesis methods and yield promising results by using unlabeled data to capture domain-specific features. However, these methods either incur high computational costs or suffer from performance limitations, while also demonstrating insufficient generalization across different tasks. To address these challenges, we propose AQuilt, a framework for constructing instruction-tuning data for any specialized domains from corresponding unlabeled data, including Answer, Question, Unlabeled data, Inspection, Logic, and Task type. By incorporating logic and inspection, we encourage reasoning processes and self-inspection to enhance model performance. Moreover, customizable task instructions enable high-quality data generation for any task. As a result, we construct a dataset of 703k examples to train a powerful data synthesis model. Experiments show that AQuilt is comparable to DeepSeek-V3 while utilizing just 17% of the production cost. Further analysis demonstrates that our generated data exhibits higher relevance to downstream tasks. Source code, models, and scripts are available at https://github.com/Krueske/AQuilt.

Synthetic data generation for tabular datasets must balance fidelity, efficiency, and versatility to meet the demands of real-world applications. We introduce the Tabular Auto-Regressive Generative Network (TabularARGN), a flexible framework designed to handle mixed-type, multivariate, and sequential datasets. By training on all possible conditional probabilities, TabularARGN supports advanced features such as fairness-aware generation, imputation, and conditional generation on any subset of columns. The framework achieves state-of-the-art synthetic data quality while significantly reducing training and inference times, making it ideal for large-scale datasets with diverse structures. Evaluated across established benchmarks, including realistic datasets with complex relationships, TabularARGN demonstrates its capability to synthesize high-quality data efficiently. By unifying flexibility and performance, this framework paves the way for practical synthetic data generation across industries.

Data is the driving force of machine learning, with the amount and quality of training data often being more important for the performance of a system than architecture and training details. But collecting, processing and annotating real data at scale is difficult, expensive, and frequently raises additional privacy, fairness and legal concerns. Synthetic data is a powerful tool with the potential to address these shortcomings: 1) it is cheap 2) supports rich ground-truth annotations 3) offers full control over data and 4) can circumvent or mitigate problems regarding bias, privacy and licensing. Unfortunately, software tools for effective data generation are less mature than those for architecture design and training, which leads to fragmented generation efforts. To address these problems we introduce Kubric, an open-source Python framework that interfaces with PyBullet and Blender to generate photo-realistic scenes, with rich annotations, and seamlessly scales to large jobs distributed over thousands of machines, and generating TBs of data. We demonstrate the effectiveness of Kubric by presenting a series of 13 different generated datasets for tasks ranging from studying 3D NeRF models to optical flow estimation. We release Kubric, the used assets, all of the generation code, as well as the rendered datasets for reuse and modification.

Recent smaller language models such Phi-3.5 and Phi-4 rely on synthetic data generated using larger Language models. Questions remain about leveraging synthetic data for other use cases, such as adapting LLMs to specific domains. A key limitation of synthetic data is low diversity, which negatively impacts its downstream applicability for improving other models. To address this, we propose MetaSynth, a method for generating synthetic data that enhances diversity through meta-prompting, where a language model orchestrates multiple "expert" LLM agents to collaboratively generate data. Using only 25 million tokens of synthetic data generated with MetaSynth, we successfully adapt a well-trained LLM (Mistral-7B-v0.3) to two specialized domains-Finance and Biomedicine-without compromising the capabilities of the resulting model in general tasks. In addition, we evaluate the diversity of our synthetic data using seven automated metrics, and find that it approaches the diversity of LLM pre-training corpora. Continually pre-training Mistral-7B-v0.3 with MetaSynth notably outperforms the base LLM, showing improvements of up to 4.08% in Finance and 13.75% in Biomedicine. The same model shows degraded performance when trained on data generated using a template prompt, even when the template includes prior generations and varying In-Context exemplars of real data. Our findings suggest that a few million tokens of diverse synthetic data without mixing any real data, is sufficient for effective domain adaptation when using MetaSynth.

The digitization of medical records ushered in a new era of big data to clinical science, and with it the possibility that data could be shared, to multiply insights beyond what investigators could abstract from paper records. The need to share individual-level medical data to accelerate innovation in precision medicine continues to grow, and has never been more urgent, as scientists grapple with the COVID-19 pandemic. However, enthusiasm for the use of big data has been tempered by a fully appropriate concern for patient autonomy and privacy. That is, the ability to extract private or confidential information about an individual, in practice, renders it difficult to share data, since significant infrastructure and data governance must be established before data can be shared. Although HIPAA provided de-identification as an approved mechanism for data sharing, linkage attacks were identified as a major vulnerability. A variety of mechanisms have been established to avoid leaking private information, such as field suppression or abstraction, strictly limiting the amount of information that can be shared, or employing mathematical techniques such as differential privacy. Another approach, which we focus on here, is creating synthetic data that mimics the underlying data. For synthetic data to be a useful mechanism in support of medical innovation and a proxy for real-world evidence, one must demonstrate two properties of the synthetic dataset: (1) any analysis on the real data must be matched by analysis of the synthetic data (statistical fidelity) and (2) the synthetic data must preserve privacy, with minimal risk of re-identification (privacy guarantee). In this paper we propose a framework for quantifying the statistical fidelity and privacy preservation properties of synthetic datasets and demonstrate these metrics for synthetic data generated by Syntegra technology.

Dataset distillation methods have achieved remarkable success in distilling a large dataset into a small set of representative samples. However, they are not designed to produce a distilled dataset that can be effectively used for facilitating self-supervised pre-training. To this end, we propose a novel problem of distilling an unlabeled dataset into a set of small synthetic samples for efficient self-supervised learning (SSL). We first prove that a gradient of synthetic samples with respect to a SSL objective in naive bilevel optimization is biased due to the randomness originating from data augmentations or masking. To address this issue, we propose to minimize the mean squared error (MSE) between a model's representations of the synthetic examples and their corresponding learnable target feature representations for the inner objective, which does not introduce any randomness. Our primary motivation is that the model obtained by the proposed inner optimization can mimic the self-supervised target model. To achieve this, we also introduce the MSE between representations of the inner model and the self-supervised target model on the original full dataset for outer optimization. Lastly, assuming that a feature extractor is fixed, we only optimize a linear head on top of the feature extractor, which allows us to reduce the computational cost and obtain a closed-form solution of the head with kernel ridge regression. We empirically validate the effectiveness of our method on various applications involving transfer learning.

Machine learning classification problems are widespread in bioinformatics, but the technical knowledge required to perform model training, optimization, and inference can prevent researchers from utilizing this technology. This article presents an automated tool for machine learning classification problems to simplify the process of training models and producing results while providing informative visualizations and insights into the data. This tool supports both binary and multiclass classification problems, and it provides access to a variety of models and methods. Synthetic data can be generated within the interface to fill missing values, balance class labels, or generate entirely new datasets. It also provides support for feature evaluation and generates explainability scores to indicate which features influence the output the most. We present CLASSify, an open-source tool for simplifying the user experience of solving classification problems without the need for knowledge of machine learning.

Inspired by the principle of deliberate practice in human learning, we propose Deliberate Practice for Synthetic Data Generation (DP), a novel framework that improves sample efficiency through dynamic synthetic data generation. Prior work has shown that scaling synthetic data is inherently challenging, as naively adding new data leads to diminishing returns. To address this, pruning has been identified as a key mechanism for improving scaling, enabling models to focus on the most informative synthetic samples. Rather than generating a large dataset and pruning it afterward, DP efficiently approximates the direct generation of informative samples. We theoretically show how training on challenging, informative examples improves scaling laws and empirically validate that DP achieves better scaling performance with significantly fewer training samples and iterations. On ImageNet-100, DP generates 3.4x fewer samples and requires six times fewer iterations, while on ImageNet-1k, it generates 8x fewer samples with a 30 percent reduction in iterations, all while achieving superior performance compared to prior work.

As text generative models can give increasingly long answers, we tackle the problem of synthesizing long text in digital ink. We show that the commonly used models for this task fail to generalize to long-form data and how this problem can be solved by augmenting the training data, changing the model architecture and the inference procedure. These methods use contrastive learning technique and are tailored specifically for the handwriting domain. They can be applied to any encoder-decoder model that works with digital ink. We demonstrate that our method reduces the character error rate on long-form English data by half compared to baseline RNN and by 16% compared to the previous approach that aims at addressing the same problem. We show that all three parts of the method improve recognizability of generated inks. In addition, we evaluate synthesized data in a human study and find that people perceive most of generated data as real.

There is a growing need for Large Language Models (LLMs) to effectively use tools and external Application Programming Interfaces (APIs) to plan and complete tasks. As such, there is tremendous interest in methods that can acquire sufficient quantities of train and test data that involve calls to tools / APIs. Two lines of research have emerged as the predominant strategies for addressing this challenge. The first has focused on synthetic data generation techniques, while the second has involved curating task-adjacent datasets which can be transformed into API / Tool-based tasks. In this paper, we focus on the task of identifying, curating, and transforming existing datasets and, in turn, introduce API-BLEND, a large corpora for training and systematic testing of tool-augmented LLMs. The datasets mimic real-world scenarios involving API-tasks such as API / tool detection, slot filling, and sequencing of the detected APIs. We demonstrate the utility of the API-BLEND dataset for both training and benchmarking purposes.

The ultimate goal of Dataset Distillation is to synthesize a small synthetic dataset such that a model trained on this synthetic set will perform equally well as a model trained on the full, real dataset. Until now, no method of Dataset Distillation has reached this completely lossless goal, in part due to the fact that previous methods only remain effective when the total number of synthetic samples is extremely small. Since only so much information can be contained in such a small number of samples, it seems that to achieve truly loss dataset distillation, we must develop a distillation method that remains effective as the size of the synthetic dataset grows. In this work, we present such an algorithm and elucidate why existing methods fail to generate larger, high-quality synthetic sets. Current state-of-the-art methods rely on trajectory-matching, or optimizing the synthetic data to induce similar long-term training dynamics as the real data. We empirically find that the training stage of the trajectories we choose to match (i.e., early or late) greatly affects the effectiveness of the distilled dataset. Specifically, early trajectories (where the teacher network learns easy patterns) work well for a low-cardinality synthetic set since there are fewer examples wherein to distribute the necessary information. Conversely, late trajectories (where the teacher network learns hard patterns) provide better signals for larger synthetic sets since there are now enough samples to represent the necessary complex patterns. Based on our findings, we propose to align the difficulty of the generated patterns with the size of the synthetic dataset. In doing so, we successfully scale trajectory matching-based methods to larger synthetic datasets, achieving lossless dataset distillation for the very first time. Code and distilled datasets are available at https://gzyaftermath.github.io/DATM.

Synthesizing high-quality reasoning data for continual training has been proven to be effective in enhancing the performance of Large Language Models (LLMs). However, previous synthetic approaches struggle to easily scale up data and incur high costs in the pursuit of high quality. In this paper, we propose the Graph-based Synthetic Data Pipeline (GSDP), an economical and scalable framework for high-quality reasoning data synthesis. Inspired by knowledge graphs, we extracted knowledge points from seed data and constructed a knowledge point relationships graph to explore their interconnections. By exploring the implicit relationships among knowledge, our method achieves times255 data expansion. Furthermore, GSDP led by open-source models, achieves synthesis quality comparable to GPT-4-0613 while maintaining times100 lower costs. To tackle the most challenging mathematical reasoning task, we present the GSDP-MATH dataset comprising over 1.91 million pairs of math problems and answers. After fine-tuning on GSDP-MATH, GSDP-7B based on Mistral-7B achieves 37.7% accuracy on MATH and 78.4% on GSM8K, demonstrating the effectiveness of our method. The dataset and models trained in this paper will be available.

In this paper we present SynKB, an open-source, automatically extracted knowledge base of chemical synthesis protocols. Similar to proprietary chemistry databases such as Reaxsys, SynKB allows chemists to retrieve structured knowledge about synthetic procedures. By taking advantage of recent advances in natural language processing for procedural texts, SynKB supports more flexible queries about reaction conditions, and thus has the potential to help chemists search the literature for conditions used in relevant reactions as they design new synthetic routes. Using customized Transformer models to automatically extract information from 6 million synthesis procedures described in U.S. and EU patents, we show that for many queries, SynKB has higher recall than Reaxsys, while maintaining high precision. We plan to make SynKB available as an open-source tool; in contrast, proprietary chemistry databases require costly subscriptions.

The proliferation of generative models, combined with pretraining on web-scale data, raises a timely question: what happens when these models are trained on their own generated outputs? Recent investigations into model-data feedback loops proposed that such loops would lead to a phenomenon termed model collapse, under which performance progressively degrades with each model-data feedback iteration until fitted models become useless. However, those studies largely assumed that new data replace old data over time, where an arguably more realistic assumption is that data accumulate over time. In this paper, we ask: what effect does accumulating data have on model collapse? We empirically study this question by pretraining sequences of language models on text corpora. We confirm that replacing the original real data by each generation's synthetic data does indeed tend towards model collapse, then demonstrate that accumulating the successive generations of synthetic data alongside the original real data avoids model collapse; these results hold across a range of model sizes, architectures, and hyperparameters. We obtain similar results for deep generative models on other types of real data: diffusion models for molecule conformation generation and variational autoencoders for image generation. To understand why accumulating data can avoid model collapse, we use an analytically tractable framework introduced by prior work in which a sequence of linear models are fit to the previous models' outputs. Previous work used this framework to show that if data are replaced, the test error increases with the number of model-fitting iterations; we extend this argument to prove that if data instead accumulate, the test error has a finite upper bound independent of the number of iterations, meaning model collapse no longer occurs.

Despite the considerable advancements in English LLMs, the progress in building comparable models for other languages has been hindered due to the scarcity of tailored resources. Our work aims to bridge this divide by introducing an expansive suite of resources specifically designed for the development of Indic LLMs, covering 22 languages, containing a total of 251B tokens and 74.8M instruction-response pairs. Recognizing the importance of both data quality and quantity, our approach combines highly curated manually verified data, unverified yet valuable data, and synthetic data. We build a clean, open-source pipeline for curating pre-training data from diverse sources, including websites, PDFs, and videos, incorporating best practices for crawling, cleaning, flagging, and deduplication. For instruction-fine tuning, we amalgamate existing Indic datasets, translate/transliterate English datasets into Indian languages, and utilize LLaMa2 and Mixtral models to create conversations grounded in articles from Indian Wikipedia and Wikihow. Additionally, we address toxicity alignment by generating toxic prompts for multiple scenarios and then generate non-toxic responses by feeding these toxic prompts to an aligned LLaMa2 model. We hope that the datasets, tools, and resources released as a part of this work will not only propel the research and development of Indic LLMs but also establish an open-source blueprint for extending such efforts to other languages. The data and other artifacts created as part of this work are released with permissive licenses.

Large Language Models (LLMs) have demonstrated remarkable capabilities on various tasks, while the further evolvement is limited to the lack of high-quality training data. In addition, traditional training approaches rely too much on expert-labeled data, setting an upper limit on the performance of LLMs. To address this issue, we propose a novel paradigm that enables LLMs to train itself by autonomously generating, cleaning, reviewing, and annotating data with preference information, named LANCE. Our approach demonstrates that LLMs can serve as continuous self-evolving data engineers, significantly reducing the time and cost of the post-training data construction process. Through iterative fine-tuning on different variants of the Qwen2, we validate the effectiveness of LANCE across various tasks, showing that it can continuously improve model performance and maintain high-quality data generation. Across eight benchmark dimensions, LANCE resulted in an average score enhancement of 3.36 for Qwen2-7B and 2.70 for Qwen2-7B-Instruct. This training paradigm with autonomous data construction not only reduces the reliance on human experts or external models but also ensures that the data aligns with human values and preferences, paving the way for the development of future superintelligent systems that can exceed human capabilities.

Compression is at the heart of intelligence. A theoretically optimal way to compress any sequence of data is to find the shortest program that outputs that sequence and then halts. However, such 'Kolmogorov compression' is uncomputable, and code generating LLMs struggle to approximate this theoretical ideal, as it requires reasoning, planning and search capabilities beyond those of current models. In this work, we introduce the KoLMogorov-Test (KT), a compression-as-intelligence test for code generating LLMs. In KT a model is presented with a sequence of data at inference time, and asked to generate the shortest program that produces the sequence. We identify several benefits of KT for both evaluation and training: an essentially infinite number of problem instances of varying difficulty is readily available, strong baselines already exist, the evaluation metric (compression) cannot be gamed, and pretraining data contamination is highly unlikely. To evaluate current models, we use audio, text, and DNA data, as well as sequences produced by random synthetic programs. Current flagship models perform poorly - both GPT4-o and Llama-3.1-405B struggle on our natural and synthetic sequences. On our synthetic distribution, we are able to train code generation models with lower compression rates than previous approaches. Moreover, we show that gains on synthetic data generalize poorly to real data, suggesting that new innovations are necessary for additional gains on KT.

The task of annotating data into concise summaries poses a significant challenge across various domains, frequently requiring the allocation of significant time and specialized knowledge by human experts. Despite existing efforts to use large language models for annotation tasks, significant problems such as limited applicability to unlabeled data, the absence of self-supervised methods, and the lack of focus on complex structured data still persist. In this work, we propose a GPT self-supervision annotation method, which embodies a generating-recovering paradigm that leverages the one-shot learning capabilities of the Generative Pretrained Transformer (GPT). The proposed approach comprises a one-shot tuning phase followed by a generation phase. In the one-shot tuning phase, we sample a data from the support set as part of the prompt for GPT to generate a textual summary, which is then used to recover the original data. The alignment score between the recovered and original data serves as a self-supervision navigator to refine the process. In the generation stage, the optimally selected one-shot sample serves as a template in the prompt and is applied to generating summaries from challenging datasets. The annotation performance is evaluated by tuning several human feedback reward networks and by calculating alignment scores between original and recovered data at both sentence and structure levels. Our self-supervised annotation method consistently achieves competitive scores, convincingly demonstrating its robust strength in various data-to-summary annotation tasks.

Fine-tuning large language models (LLMs) for specific tasks requires high-quality, diverse training data relevant to the task. Recent research has leveraged LLMs to synthesize training data, but existing approaches either depend on large seed datasets or struggle to ensure both task relevance and data diversity in the generated outputs. To address these challenges, we propose AIDE, a novel data synthesis framework that uses a multi-hop process to expand 10 seed data points while ensuring diversity and task relevance. AIDE extracts the main topic and key knowledge attributes from the seed data to guide the synthesis process. In each subsequent hop, it extracts the topic and attributes from the newly generated data and continues guided synthesis. This process repeats for a total of K hops. To prevent irrelevant data generation as the hop depth increases, AIDE incorporates a residual connection mechanism and uses self-reflection to improve data quality. Our empirical results demonstrate that fine-tuning Mistral-7B, Llama-3.1-8B and Llama-3.2-3B with AIDE achieves more than 10% accuracy improvements over the base models across 13 tasks from 5 different benchmarks, while outperforming the models fine-tuned with state-of-the-art data synthesis methods like Evol-Instruct, DataTune and Prompt2Model.

Text-to-SQL, the task of translating natural language questions into SQL queries, plays a crucial role in enabling non-experts to interact with databases. While recent advancements in large language models (LLMs) have significantly enhanced text-to-SQL performance, existing approaches face notable limitations in real-world text-to-SQL applications. Prompting-based methods often depend on closed-source LLMs, which are expensive, raise privacy concerns, and lack customization. Fine-tuning-based methods, on the other hand, suffer from poor generalizability due to the limited coverage of publicly available training data. To overcome these challenges, we propose a novel and scalable text-to-SQL data synthesis framework for automatically synthesizing large-scale, high-quality, and diverse datasets without extensive human intervention. Using this framework, we introduce SynSQL-2.5M, the first million-scale text-to-SQL dataset, containing 2.5 million samples spanning over 16,000 synthetic databases. Each sample includes a database, SQL query, natural language question, and chain-of-thought (CoT) solution. Leveraging SynSQL-2.5M, we develop OmniSQL, a powerful open-source text-to-SQL model available in three sizes: 7B, 14B, and 32B. Extensive evaluations across nine datasets demonstrate that OmniSQL achieves state-of-the-art performance, matching or surpassing leading closed-source and open-source LLMs, including GPT-4o and DeepSeek-V3, despite its smaller size. We release all code, datasets, and models to support further research.

Large Language Models (LLMs) rely on instruction samples for alignment, but creating these datasets poses challenges, particularly in expert-dependent tasks like coding, which can be cost-prohibitive. One approach to mitigate these challenges is synthesizing data using another LLM. In this paper, we introduce a scalable method for generating synthetic instructions to enhance the code generation capability of LLMs. The proposed algorithm, Genetic-Instruct, mimics evolutionary processes, utilizing self-instruction to create numerous synthetic samples from a limited number of seeds. Genetic-Instruct is designed for efficient scaling of the generation process. Fine-tuning multiple coding LLMs with the synthetic samples demonstrates a significant improvement in their code generation accuracy compared to the baselines.

Seismic advances in generative AI algorithms for imagery, text, and other data types has led to the temptation to use synthetic data to train next-generation models. Repeating this process creates an autophagous (self-consuming) loop whose properties are poorly understood. We conduct a thorough analytical and empirical analysis using state-of-the-art generative image models of three families of autophagous loops that differ in how fixed or fresh real training data is available through the generations of training and in whether the samples from previous generation models have been biased to trade off data quality versus diversity. Our primary conclusion across all scenarios is that without enough fresh real data in each generation of an autophagous loop, future generative models are doomed to have their quality (precision) or diversity (recall) progressively decrease. We term this condition Model Autophagy Disorder (MAD), making analogy to mad cow disease.

With growing attention to tabular data these days, the attempt to apply a synthetic table to various tasks has been expanded toward various scenarios. Owing to the recent advances in generative modeling, fake data generated by tabular data synthesis models become sophisticated and realistic. However, there still exists a difficulty in modeling discrete variables (columns) of tabular data. In this work, we propose to process continuous and discrete variables separately (but being conditioned on each other) by two diffusion models. The two diffusion models are co-evolved during training by reading conditions from each other. In order to further bind the diffusion models, moreover, we introduce a contrastive learning method with a negative sampling method. In our experiments with 11 real-world tabular datasets and 8 baseline methods, we prove the efficacy of the proposed method, called CoDi.

Generating long-term texts such as novels using artificial intelligence has always been a challenge. A common approach is to use large language models (LLMs) to construct a hierarchical framework that first plans and then writes. Despite the fact that the generated novels reach a sufficient length, they exhibit poor logical coherence and appeal in their plots and deficiencies in character and event depiction, ultimately compromising the overall narrative quality. In this paper, we propose a method named Extracting Excelsior and Expanding. Ex3 initially extracts structure information from raw novel data. By combining this structure information with the novel data, an instruction-following dataset is meticulously crafted. This dataset is then utilized to fine-tune the LLM, aiming for excelsior generation performance. In the final stage, a tree-like expansion method is deployed to facilitate the generation of arbitrarily long novels. Evaluation against previous methods showcases Ex3's ability to produce higher-quality long-form novels.

Scientific Large Language Models (Sci-LLMs) are transforming how knowledge is represented, integrated, and applied in scientific research, yet their progress is shaped by the complex nature of scientific data. This survey presents a comprehensive, data-centric synthesis that reframes the development of Sci-LLMs as a co-evolution between models and their underlying data substrate. We formulate a unified taxonomy of scientific data and a hierarchical model of scientific knowledge, emphasizing the multimodal, cross-scale, and domain-specific challenges that differentiate scientific corpora from general natural language processing datasets. We systematically review recent Sci-LLMs, from general-purpose foundations to specialized models across diverse scientific disciplines, alongside an extensive analysis of over 270 pre-/post-training datasets, showing why Sci-LLMs pose distinct demands -- heterogeneous, multi-scale, uncertainty-laden corpora that require representations preserving domain invariance and enabling cross-modal reasoning. On evaluation, we examine over 190 benchmark datasets and trace a shift from static exams toward process- and discovery-oriented assessments with advanced evaluation protocols. These data-centric analyses highlight persistent issues in scientific data development and discuss emerging solutions involving semi-automated annotation pipelines and expert validation. Finally, we outline a paradigm shift toward closed-loop systems where autonomous agents based on Sci-LLMs actively experiment, validate, and contribute to a living, evolving knowledge base. Collectively, this work provides a roadmap for building trustworthy, continually evolving artificial intelligence (AI) systems that function as a true partner in accelerating scientific discovery.

Text data has become extremely valuable due to the emergence of machine learning algorithms that learn from it. A lot of high-quality text data generated in the real world is private and therefore cannot be shared or used freely due to privacy concerns. Generating synthetic replicas of private text data with a formal privacy guarantee, i.e., differential privacy (DP), offers a promising and scalable solution. However, existing methods necessitate DP finetuning of large language models (LLMs) on private data to generate DP synthetic data. This approach is not viable for proprietary LLMs (e.g., GPT-3.5) and also demands considerable computational resources for open-source LLMs. Lin et al. (2024) recently introduced the Private Evolution (PE) algorithm to generate DP synthetic images with only API access to diffusion models. In this work, we propose an augmented PE algorithm, named Aug-PE, that applies to the complex setting of text. We use API access to an LLM and generate DP synthetic text without any model training. We conduct comprehensive experiments on three benchmark datasets. Our results demonstrate that Aug-PE produces DP synthetic text that yields competitive utility with the SOTA DP finetuning baselines. This underscores the feasibility of relying solely on API access of LLMs to produce high-quality DP synthetic texts, thereby facilitating more accessible routes to privacy-preserving LLM applications. Our code and data are available at https://github.com/AI-secure/aug-pe.

One of the key impediments for developing and assessing robust medical imaging algorithms is limited access to large-scale datasets with suitable annotations. Synthetic data generated with plausible physical and biological constraints may address some of these data limitations. We propose the use of physics simulations to generate synthetic images with pixel-level segmentation annotations, which are notoriously difficult to obtain. Specifically, we apply this approach to breast imaging analysis and release T-SYNTH, a large-scale open-source dataset of paired 2D digital mammography (DM) and 3D digital breast tomosynthesis (DBT) images. Our initial experimental results indicate that T-SYNTH images show promise for augmenting limited real patient datasets for detection tasks in DM and DBT. Our data and code are publicly available at https://github.com/DIDSR/tsynth-release.

Modularization is a cornerstone of computer science, abstracting complex functions into atomic building blocks. In this paper, we introduce a new level of modularization by abstracting generative models into atomic generative modules. Analogous to fractals in mathematics, our method constructs a new type of generative model by recursively invoking atomic generative modules, resulting in self-similar fractal architectures that we call fractal generative models. As a running example, we instantiate our fractal framework using autoregressive models as the atomic generative modules and examine it on the challenging task of pixel-by-pixel image generation, demonstrating strong performance in both likelihood estimation and generation quality. We hope this work could open a new paradigm in generative modeling and provide a fertile ground for future research. Code is available at https://github.com/LTH14/fractalgen.

Self-correction is a novel method that can stimulate the potential reasoning abilities of large language models (LLMs). It involves detecting and correcting errors during the inference process when LLMs solve reasoning problems. However, recent works do not regard self-correction as a spontaneous and intrinsic capability of LLMs. Instead, such correction is achieved through post-hoc generation, external knowledge introduction, multi-model collaboration, and similar techniques. In this paper, we propose a series of mathematical LLMs called S^3c-Math, which are able to perform Spontaneous Step-level Self-correction for Mathematical reasoning. This capability helps LLMs to recognize whether their ongoing inference tends to contain errors and simultaneously correct these errors to produce a more reliable response. We proposed a method, which employs a step-level sampling approach to construct step-wise self-correction data for achieving such ability. Additionally, we implement a training strategy that uses above constructed data to equip LLMs with spontaneous step-level self-correction capacities. Our data and methods have been demonstrated to be effective across various foundation LLMs, consistently showing significant progress in evaluations on GSM8K, MATH, and other mathematical benchmarks. To the best of our knowledge, we are the first to introduce the spontaneous step-level self-correction ability of LLMs in mathematical reasoning.

Self-supervised neural language models have recently achieved unprecedented success, from natural language processing to learning the languages of biological sequences and organic molecules. These models have demonstrated superior performance in the generation, structure classification, and functional predictions for proteins and molecules with learned representations. However, most of the masking-based pre-trained language models are not designed for generative design, and their black-box nature makes it difficult to interpret their design logic. Here we propose BLMM Crystal Transformer, a neural network based probabilistic generative model for generative and tinkering design of inorganic materials. Our model is built on the blank filling language model for text generation and has demonstrated unique advantages in learning the "materials grammars" together with high-quality generation, interpretability, and data efficiency. It can generate chemically valid materials compositions with as high as 89.7\% charge neutrality and 84.8\% balanced electronegativity, which are more than 4 and 8 times higher compared to a pseudo random sampling baseline. The probabilistic generation process of BLMM allows it to recommend tinkering operations based on learned materials chemistry and makes it useful for materials doping. Combined with the TCSP crysal structure prediction algorithm, We have applied our model to discover a set of new materials as validated using DFT calculations. Our work thus brings the unsupervised transformer language models based generative artificial intelligence to inorganic materials. A user-friendly web app has been developed for computational materials doping and can be accessed freely at www.materialsatlas.org/blmtinker.

Despite large successes of recent language models on diverse tasks, they suffer from severe performance degeneration in low-resource settings with limited training data available. Many existing works tackle this problem by generating synthetic data from the training data and then training models on them, recently using Large Language Models (LLMs). However, in low-resource settings, the amount of seed data samples to use for data augmentation is very small, which makes generated samples suboptimal and less diverse. To tackle this challenge, we propose a novel method that augments training data by incorporating a wealth of examples from other datasets, along with the given training data. Specifically, we first retrieve the relevant instances from other datasets, such as their input-output pairs or contexts, based on their similarities with the given seed data, and then prompt LLMs to generate new samples with the contextual information within and across the original and retrieved samples. This approach can ensure that the generated data is not only relevant but also more diverse than what could be achieved using the limited seed data alone. We validate our proposed Retrieval-Augmented Data Augmentation (RADA) framework on multiple datasets under low-resource settings of training and test-time data augmentation scenarios, on which it outperforms existing LLM-powered data augmentation baselines.

Scaling laws predict that the performance of large language models improves with increasing model size and data size. In practice, pre-training has been relying on massive web crawls, using almost all data sources publicly available on the internet so far. However, this pool of natural data does not grow at the same rate as the compute supply. Furthermore, the availability of high-quality texts is even more limited: data filtering pipelines often remove up to 99% of the initial web scrapes to achieve state-of-the-art. To address the "data wall" of pre-training scaling, our work explores ways to transform and recycle data discarded in existing filtering processes. We propose REWIRE, REcycling the Web with guIded REwrite, a method to enrich low-quality documents so that they could become useful for training. This in turn allows us to increase the representation of synthetic data in the final pre-training set. Experiments at 1B, 3B and 7B scales of the DCLM benchmark show that mixing high-quality raw texts and our rewritten texts lead to 1.0, 1.3 and 2.5 percentage points improvement respectively across 22 diverse tasks, compared to training on only filtered web data. Training on the raw-synthetic data mix is also more effective than having access to 2x web data. Through further analysis, we demonstrate that about 82% of the mixed in texts come from transforming lower-quality documents that would otherwise be discarded. REWIRE also outperforms related approaches of generating synthetic data, including Wikipedia-style paraphrasing, question-answer synthesizing and knowledge extraction. These results suggest that recycling web texts holds the potential for being a simple and effective approach for scaling pre-training data.

Faced with an expensive human annotation process, creators of NLP systems increasingly turn to synthetic data generation. While this method shows promise, the extent to which synthetic data can replace human annotation is poorly understood. We investigate the use of synthetic data in Fact Verification (FV) and Question Answering (QA) by studying the effects of incrementally replacing human generated data with synthetic points on eight diverse datasets. Strikingly, replacing up to 90% of the training data only marginally decreases performance, but replacing the final 10% leads to severe declines. We find that models trained on purely synthetic data can be reliably improved by including as few as 125 human generated data points. We show that matching the performance gain of just a little additional human data (only 200 points) requires an order of magnitude more synthetic data and estimate price ratios at which human annotation would be a more cost-effective solution. Our results suggest that even when human annotation at scale is infeasible, there is great value to having a small proportion of the dataset being human generated.

The rapid advancement of large language models has fundamentally shifted the bottleneck in AI development from computational power to data availability-with countless valuable datasets remaining hidden across specialized repositories, research appendices, and domain platforms. As reasoning capabilities and deep research methodologies continue to evolve, a critical question emerges: can AI agents transcend conventional search to systematically discover any dataset that meets specific user requirements, enabling truly autonomous demand-driven data curation? We introduce DatasetResearch, the first comprehensive benchmark evaluating AI agents' ability to discover and synthesize datasets from 208 real-world demands across knowledge-intensive and reasoning-intensive tasks. Our tri-dimensional evaluation framework reveals a stark reality: even advanced deep research systems achieve only 22% score on our challenging DatasetResearch-pro subset, exposing the vast gap between current capabilities and perfect dataset discovery. Our analysis uncovers a fundamental dichotomy-search agents excel at knowledge tasks through retrieval breadth, while synthesis agents dominate reasoning challenges via structured generation-yet both catastrophically fail on "corner cases" outside existing distributions. These findings establish the first rigorous baseline for dataset discovery agents and illuminate the path toward AI systems capable of finding any dataset in the digital universe. Our benchmark and comprehensive analysis provide the foundation for the next generation of self-improving AI systems and are publicly available at https://github.com/GAIR-NLP/DatasetResearch.

Artificial Intelligence (AI) is making a profound impact in almost every domain. A vital enabler of its great success is the availability of abundant and high-quality data for building machine learning models. Recently, the role of data in AI has been significantly magnified, giving rise to the emerging concept of data-centric AI. The attention of researchers and practitioners has gradually shifted from advancing model design to enhancing the quality and quantity of the data. In this survey, we discuss the necessity of data-centric AI, followed by a holistic view of three general data-centric goals (training data development, inference data development, and data maintenance) and the representative methods. We also organize the existing literature from automation and collaboration perspectives, discuss the challenges, and tabulate the benchmarks for various tasks. We believe this is the first comprehensive survey that provides a global view of a spectrum of tasks across various stages of the data lifecycle. We hope it can help the readers efficiently grasp a broad picture of this field, and equip them with the techniques and further research ideas to systematically engineer data for building AI systems. A companion list of data-centric AI resources will be regularly updated on https://github.com/daochenzha/data-centric-AI

Large-scale language models like ChatGPT and GPT-4 have gained attention for their impressive conversational and generative capabilities. However, the creation of supervised paired question-answering data for instruction tuning presents formidable challenges. This endeavor necessitates substantial human effort for data annotation and wrestles with issues concerning data quality, diversity, accuracy, and other related factors. To overcome these obstacles, we introduce an innovative framework named Self-QA, which replaces the traditional practice of human-written instruction seeds with a vast amount of unsupervised knowledge, enabling the model to generate a larger quantity of correct and domain-specific instruction data. The effectiveness of our proposed method is demonstrated through experiments conducted on unsupervised corpora from various domains.

Generating synthetic tabular data is critical in machine learning, especially when real data is limited or sensitive. Traditional generative models often face challenges due to the unique characteristics of tabular data, such as mixed data types and varied distributions, and require complex preprocessing or large pretrained models. In this paper, we introduce a novel, lossless binary transformation method that converts any tabular data into fixed-size binary representations, and a corresponding new generative model called Binary Diffusion, specifically designed for binary data. Binary Diffusion leverages the simplicity of XOR operations for noise addition and removal and employs binary cross-entropy loss for training. Our approach eliminates the need for extensive preprocessing, complex noise parameter tuning, and pretraining on large datasets. We evaluate our model on several popular tabular benchmark datasets, demonstrating that Binary Diffusion outperforms existing state-of-the-art models on Travel, Adult Income, and Diabetes datasets while being significantly smaller in size.

The rise of Large Language Models (LLMs) has accentuated the need for diverse, high-quality pre-training data. Synthetic data emerges as a viable solution to the challenges of data scarcity and inaccessibility. While previous literature has focused predominantly on the quality and quantity of real data, our work enables the measurement of diversity in synthetic data and explores its impact on LLM performance. We study the downstream effects of synthetic data diversity during both the pre-training and fine-tuning stages by introducing a new diversity metric, LLM cluster-agent, designed to evaluate the diversity of synthetic datasets. Through a series of controlled experiments with models of 350M and 1.4B parameters, we demonstrate that the proposed cluster-based LLM scoring of diversity correlates positively with both pre-training and supervised fine-tuning performance. Our findings also reveal that synthetic data diversity in pre-training affects supervised fine-tuning more significantly than pre-training itself, even for smaller models. We hope this study advances our understanding of the optimal use of synthetic data in LLM training and opens new avenues for efficient data generation processes.

Underlying data structures, such as symmetries or invariances to transformations, are often exploited to improve the solution of learning tasks. However, embedding these properties in models or learning algorithms can be challenging and computationally intensive. Data augmentation, on the other hand, induces these symmetries during training by applying multiple transformations to the input data. Despite its ubiquity, its effectiveness depends on the choices of which transformations to apply, when to do so, and how often. In fact, there is both empirical and theoretical evidence that the indiscriminate use of data augmentation can introduce biases that outweigh its benefits. This work tackles these issues by automatically adapting the data augmentation while solving the learning task. To do so, it formulates data augmentation as an invariance-constrained learning problem and leverages Monte Carlo Markov Chain (MCMC) sampling to solve it. The result is a practical algorithm that not only does away with a priori searches for augmentation distributions, but also dynamically controls if and when data augmentation is applied. Our experiments illustrate the performance of this method, which achieves state-of-the-art results in automatic data augmentation benchmarks for CIFAR datasets. Furthermore, this approach can be used to gather insights on the actual symmetries underlying a learning task.

The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the molecule structures. However, automatically parsing the exact chemical structure is a formidable challenge, due to the amount of detailed information, the diversity of drawing styles, and the need for training data. In this work, we introduce MolGrapher to recognize chemical structures visually. First, a deep keypoint detector detects the atoms. Second, we treat all candidate atoms and bonds as nodes and put them in a graph. This construct allows a natural graph representation of the molecule. Last, we classify atom and bond nodes in the graph with a Graph Neural Network. To address the lack of real training data, we propose a synthetic data generation pipeline producing diverse and realistic results. In addition, we introduce a large-scale benchmark of annotated real molecule images, USPTO-30K, to spur research on this critical topic. Extensive experiments on five datasets show that our approach significantly outperforms classical and learning-based methods in most settings. Code, models, and datasets are available.

As Deep Learning algorithms continue to evolve and become more sophisticated, they require massive datasets for model training and efficacy of models. Some of those data requirements can be met with the help of existing datasets within the organizations. Current Machine Learning practices can be leveraged to generate synthetic data from an existing dataset. Further, it is well established that diversity in generated synthetic data relies on (and is perhaps limited by) statistical properties of available dataset within a single organization or entity. The more diverse an existing dataset is, the more expressive and generic synthetic data can be. However, given the scarcity of underlying data, it is challenging to collate big data in one organization. The diverse, non-overlapping dataset across distinct organizations provides an opportunity for them to contribute their limited distinct data to a larger pool that can be leveraged to further synthesize. Unfortunately, this raises data privacy concerns that some institutions may not be comfortable with. This paper proposes a novel approach to generate synthetic data - FedSyn. FedSyn is a collaborative, privacy preserving approach to generate synthetic data among multiple participants in a federated and collaborative network. FedSyn creates a synthetic data generation model, which can generate synthetic data consisting of statistical distribution of almost all the participants in the network. FedSyn does not require access to the data of an individual participant, hence protecting the privacy of participant's data. The proposed technique in this paper leverages federated machine learning and generative adversarial network (GAN) as neural network architecture for synthetic data generation. The proposed method can be extended to many machine learning problem classes in finance, health, governance, technology and many more.

The study of biological materials and bio-inspired materials science is well established; however, surprisingly little knowledge has been systematically translated to engineering solutions. To accelerate discovery and guide insights, an open-source autoregressive transformer large language model (LLM), BioinspiredLLM, is reported. The model was finetuned with a corpus of over a thousand peer-reviewed articles in the field of structural biological and bio-inspired materials and can be prompted to recall information, assist with research tasks, and function as an engine for creativity. The model has proven that it is able to accurately recall information about biological materials and is further enhanced with enhanced reasoning ability, as well as with retrieval-augmented generation to incorporate new data during generation that can also help to traceback sources, update the knowledge base, and connect knowledge domains. BioinspiredLLM also has been shown to develop sound hypotheses regarding biological materials design and remarkably so for materials that have never been explicitly studied before. Lastly, the model showed impressive promise in collaborating with other generative artificial intelligence models in a workflow that can reshape the traditional materials design process. This collaborative generative artificial intelligence method can stimulate and enhance bio-inspired materials design workflows. Biological materials are at a critical intersection of multiple scientific fields and models like BioinspiredLLM help to connect knowledge domains.

LLMs have boosted progress in many AI applications. Recently, there were attempts to distill the vast knowledge of LLMs into information retrieval systems. Those distillation methods mostly use output probabilities of LLMs which are unavailable in the latest black-box LLMs. We propose Syntriever, a training framework for retrievers using synthetic data from black-box LLMs. Syntriever consists of two stages. Firstly in the distillation stage, we synthesize relevant and plausibly irrelevant passages and augmented queries using chain-of-thoughts for the given queries. LLM is asked to self-verify the synthetic data for possible hallucinations, after which retrievers are trained with a loss designed to cluster the embeddings of relevant passages. Secondly in the alignment stage, we align the retriever with the preferences of LLMs. We propose a preference modeling called partial Plackett-Luce ranking to learn LLM preferences with regularization which prevents the model from deviating excessively from that trained in the distillation stage. Experiments show that Syntriever achieves state-of-the-art performances on benchmark datasets from various domains in nDCG@K. The code is available at https://github.com/kmswin1/Syntriever{https://github.com/kmswin1/Syntriever}.

Differentially private (DP) training methods like DP-SGD can protect sensitive training data by ensuring that ML models will not reveal private information. An alternative approach, which this paper studies, is to use a sensitive dataset to generate a new synthetic dataset which is differentially private with respect to the original data. Doing so has several advantages: synthetic data can be reused for other tasks (including for hyper parameter tuning), retained indefinitely, or shared with third parties without sacrificing privacy. However, obtaining DP data is much harder than introducing DP during training. To make it feasible for text, recent work has utilized public data by starting with a pre-trained generative language model and privately finetuning it on sensitive data. This model can be used to sample a DP synthetic dataset. While this strategy seems straightforward, executing it has proven problematic. Previous approaches either show significant performance loss, or have, as we show, critical design flaws. In this paper we demonstrate that a proper training objective along with tuning fewer parameters results in excellent DP synthetic data quality. Our approach is competitive with direct DP-training of downstream classifiers in terms of performance on downstream tasks. We also demonstrate that our DP synthetic data is not only useful for downstream classifier training, but also to tune those same models.

There has been some recent interest in detecting and addressing memorization of training data by deep neural networks. A formal framework for memorization in generative models, called "data-copying," was proposed by Meehan et. al. (2020). We build upon their work to show that their framework may fail to detect certain kinds of blatant memorization. Motivated by this and the theory of non-parametric methods, we provide an alternative definition of data-copying that applies more locally. We provide a method to detect data-copying, and provably show that it works with high probability when enough data is available. We also provide lower bounds that characterize the sample requirement for reliable detection.

With the advancement of language models (LMs), their exposure to private data is increasingly inevitable, and their deployment (especially for smaller ones) on personal devices, such as PCs and smartphones, has become a prevailing trend. In contexts laden with user information, enabling models to both safeguard user privacy and execute commands efficiently emerges as an essential research imperative. In this paper, we propose CoGenesis, a collaborative generation framework integrating large (hosted on cloud infrastructure) and small models (deployed on local devices) to address privacy concerns logically. Initially, we design a pipeline to create personalized writing instruction datasets enriched with extensive context details as the testbed of this research issue. Subsequently, we introduce two variants of CoGenesis based on sketch and logits respectively. Our experimental findings, based on our synthesized dataset and two additional open-source datasets, indicate that: 1) Large-scale models perform well when provided with user context but struggle in the absence of such context. 2) While specialized smaller models fine-tuned on the synthetic dataset show promise, they still lag behind their larger counterparts. 3) Our CoGenesis framework, utilizing mixed-scale models, showcases competitive performance, providing a feasible solution to privacy issues.

Autonomous agents operating on the graphical user interfaces (GUIs) of various applications hold immense practical value. Unlike the large language model (LLM)-based methods which rely on structured texts and customized backends, the approaches using large vision-language models (LVLMs) are more intuitive and adaptable as they can visually perceive and directly interact with screens, making them indispensable in general scenarios without text metadata and tailored backends. Given the lack of high-quality training data for GUI-related tasks in existing work, this paper aims to enhance the GUI understanding and interacting capabilities of LVLMs through a data-driven approach. We propose EDGE, a general data synthesis framework that automatically generates large-scale, multi-granularity training data from webpages across the Web. Evaluation results on various GUI and agent benchmarks demonstrate that the model trained with the dataset generated through EDGE exhibits superior webpage understanding capabilities, which can then be easily transferred to previously unseen desktop and mobile environments. Our approach significantly reduces the dependence on manual annotations, empowering researchers to harness the vast public resources available on the Web to advance their work. Our source code, the dataset and the model are available at https://anonymous.4open.science/r/EDGE-1CDB.

Pretext-based self-supervised learning learns the semantic representation via a handcrafted pretext task over unlabeled data and then uses the learned representation for downstream tasks, which effectively reduces the sample complexity of downstream tasks under Conditional Independence (CI) condition. However, the downstream sample complexity gets much worse if the CI condition does not hold. One interesting question is whether we can make the CI condition hold by using downstream data to refine the unlabeled data to boost self-supervised learning. At first glance, one might think that seeing downstream data in advance would always boost the downstream performance. However, we show that it is not intuitively true and point out that in some cases, it hurts the final performance instead. In particular, we prove both model-free and model-dependent lower bounds of the number of downstream samples used for data refinement. Moreover, we conduct various experiments on both synthetic and real-world datasets to verify our theoretical results.

Dataset summarisation is a fruitful approach to dataset inspection. However, when applied to a single dataset the discovery of visual concepts is restricted to those most prominent. We argue that a comparative approach can expand upon this paradigm to enable richer forms of dataset inspection that go beyond the most prominent concepts. To enable dataset comparison we present a module that learns concept-level prototypes across datasets. We leverage self-supervised learning to discover these prototypes without supervision, and we demonstrate the benefits of our approach in two case-studies. Our findings show that dataset comparison extends dataset inspection and we hope to encourage more works in this direction. Code and usage instructions available at https://github.com/Nanne/ProtoSim

Self-improvement is a mechanism in Large Language Model (LLM) pre-training, post-training and test-time inference. We explore a framework where the model verifies its own outputs, filters or reweights data based on this verification, and distills the filtered data. Despite several empirical successes, a fundamental understanding is still lacking. In this work, we initiate a comprehensive, modular and controlled study on LLM self-improvement. We provide a mathematical formulation for self-improvement, which is largely governed by a quantity which we formalize as the generation-verification gap. Through experiments with various model families and tasks, we discover a scaling phenomenon of self-improvement -- a variant of the generation-verification gap scales monotonically with the model pre-training flops. We also examine when self-improvement is possible, an iterative self-improvement procedure, and ways to improve its performance. Our findings not only advance understanding of LLM self-improvement with practical implications, but also open numerous avenues for future research into its capabilities and boundaries.

Generative models trained on internet-scale data are capable of generating novel and realistic texts, images, and videos. A natural next question is whether these models can advance science, for example by generating novel stable materials. Traditionally, models with explicit structures (e.g., graphs) have been used in modeling structural relationships in scientific data (e.g., atoms and bonds in crystals), but generating structures can be difficult to scale to large and complex systems. Another challenge in generating materials is the mismatch between standard generative modeling metrics and downstream applications. For instance, common metrics such as the reconstruction error do not correlate well with the downstream goal of discovering stable materials. In this work, we tackle the scalability challenge by developing a unified crystal representation that can represent any crystal structure (UniMat), followed by training a diffusion probabilistic model on these UniMat representations. Our empirical results suggest that despite the lack of explicit structure modeling, UniMat can generate high fidelity crystal structures from larger and more complex chemical systems, outperforming previous graph-based approaches under various generative modeling metrics. To better connect the generation quality of materials to downstream applications, such as discovering novel stable materials, we propose additional metrics for evaluating generative models of materials, including per-composition formation energy and stability with respect to convex hulls through decomposition energy from Density Function Theory (DFT). Lastly, we show that conditional generation with UniMat can scale to previously established crystal datasets with up to millions of crystals structures, outperforming random structure search (the current leading method for structure discovery) in discovering new stable materials.

Specializing LLMs in various domain-specific tasks has emerged as a critical step towards achieving high performance. However, the construction and annotation of datasets in specific domains are always very costly. Apart from using superior and expensive closed-source LLM APIs to construct datasets, some open-source models have become strong enough to handle dataset construction in many scenarios. Thus, we present a family of data augmentation models designed to significantly improve the efficiency for model fine-tuning. These models, trained based on sufficiently small LLMs, support key functionalities with low inference costs: instruction expansion, instruction refinement, and instruction-response pair expansion. To fulfill this goal, we first construct an automatic data collection system with seed datasets generated from both public repositories and our in-house datasets. This system leverages powerful LLMs to expand, refine and re-write the instructions and responses, incorporating quality assessment techniques. Following this, we introduce the training process of our models, which effectively distills task-solving and text synthesis abilities from teacher LLMs. Finally, we demonstrate how we integrate these functionalities into a machine learning platform to support low-cost LLM fine-tuning from both dataset preparation and training perspectives for users. Experiments and an application study prove the effectiveness of our approach.

Recent progress in autonomous code generation has fueled excitement around AI agents capable of accelerating scientific discovery by running experiments. However, there is currently no benchmark that evaluates whether such agents can implement scientific ideas when given varied amounts of code as a starting point, interpolating between reproduction (running code) and from-scratch replication (fully re-implementing and running code). We introduce AutoExperiment, a benchmark that evaluates AI agents' ability to implement and run machine learning experiments based on natural language descriptions in research papers. In each task, agents are given a research paper, a codebase with key functions masked out, and a command to run the experiment. The goal is to generate the missing code, execute the experiment in a sandboxed environment, and reproduce the results. AutoExperiment scales in difficulty by varying the number of missing functions n, ranging from partial reproduction to full replication. We evaluate state-of-the-art agents and find that performance degrades rapidly as n increases. Agents that can dynamically interact with the environment (e.g. to debug their code) can outperform agents in fixed "agentless" harnesses, and there exists a significant gap between single-shot and multi-trial success rates (Pass@1 vs. Pass@5), motivating verifier approaches to our benchmark. Our findings highlight critical challenges in long-horizon code generation, context retrieval, and autonomous experiment execution, establishing AutoExperiment as a new benchmark for evaluating progress in AI-driven scientific experimentation. Our data and code are open-sourced at https://github.com/j1mk1m/AutoExperiment .

We present TraDE, a self-attention-based architecture for auto-regressive density estimation with continuous and discrete valued data. Our model is trained using a penalized maximum likelihood objective, which ensures that samples from the density estimate resemble the training data distribution. The use of self-attention means that the model need not retain conditional sufficient statistics during the auto-regressive process beyond what is needed for each covariate. On standard tabular and image data benchmarks, TraDE produces significantly better density estimates than existing approaches such as normalizing flow estimators and recurrent auto-regressive models. However log-likelihood on held-out data only partially reflects how useful these estimates are in real-world applications. In order to systematically evaluate density estimators, we present a suite of tasks such as regression using generated samples, out-of-distribution detection, and robustness to noise in the training data and demonstrate that TraDE works well in these scenarios.

As the demand for high-quality data in model training grows, researchers and developers are increasingly generating synthetic data to tune and train LLMs. A common assumption about synthetic data is that sampling from instruct-tuned models is sufficient; however, these models struggle to produce diverse outputs-a key requirement for generalization. Despite various prompting methods, in this work we show that achieving meaningful diversity from instruct-tuned models remains challenging. In contrast, we find base models without post-training exhibit greater diversity, but are less capable at instruction following and hence of lower quality. Leveraging this insight, we propose Base-Refine (BARE), a synthetic data generation method that combines the diversity of base models with the quality of instruct-tuned models through a two-stage process. With minimal few-shot examples and curation, BARE generates diverse and high-quality datasets, improving downstream task performance. We show that fine-tuning with as few as 1,000 BARE-generated samples can reach performance comparable to the best similarly sized models on LiveCodeBench tasks. Furthermore, fine-tuning with BARE-generated data achieves a 101% improvement over instruct-only data on GSM8K and a 18.4% improvement over SOTA methods on RAFT.

Program synthesis is challenging largely because of the difficulty of search in a large space of programs. Human programmers routinely tackle the task of writing complex programs by writing sub-programs and then analyzing their intermediate results to compose them in appropriate ways. Motivated by this intuition, we present a new synthesis approach that leverages learning to guide a bottom-up search over programs. In particular, we train a model to prioritize compositions of intermediate values during search conditioned on a given set of input-output examples. This is a powerful combination because of several emergent properties. First, in bottom-up search, intermediate programs can be executed, providing semantic information to the neural network. Second, given the concrete values from those executions, we can exploit rich features based on recent work on property signatures. Finally, bottom-up search allows the system substantial flexibility in what order to generate the solution, allowing the synthesizer to build up a program from multiple smaller sub-programs. Overall, our empirical evaluation finds that the combination of learning and bottom-up search is remarkably effective, even with simple supervised learning approaches. We demonstrate the effectiveness of our technique on two datasets, one from the SyGuS competition and one of our own creation.

This paper revisits datasets and evaluation criteria for Symbolic Regression, a task of expressing given data using mathematical equations, specifically focused on its potential for scientific discovery. Focused on a set of formulas used in the existing datasets based on Feynman Lectures on Physics, we recreate 120 datasets to discuss the performance of symbolic regression for scientific discovery (SRSD). For each of the 120 SRSD datasets, we carefully review the properties of the formula and its variables to design reasonably realistic sampling range of values so that our new SRSD datasets can be used for evaluating the potential of SRSD such as whether or not an SR method can (re)discover physical laws from such datasets. As an evaluation metric, we also propose to use normalized edit distances between a predicted equation and the ground-truth equation trees. While existing metrics are either binary or errors between the target values and an SR model's predicted values for a given input, normalized edit distances evaluate a sort of similarity between the ground-truth and predicted equation trees. We have conducted experiments on our new SRSD datasets using five state-of-the-art SR methods in SRBench and a simple baseline based on a recent Transformer architecture. The results show that we provide a more realistic performance evaluation and open up a new machine learning-based approach for scientific discovery. Our datasets and code repository are publicly available.

We present Self-MoE, an approach that transforms a monolithic LLM into a compositional, modular system of self-specialized experts, named MiXSE (MiXture of Self-specialized Experts). Our approach leverages self-specialization, which constructs expert modules using self-generated synthetic data, each equipped with a shared base LLM and incorporating self-optimized routing. This allows for dynamic and capability-specific handling of various target tasks, enhancing overall capabilities, without extensive human-labeled data and added parameters. Our empirical results reveal that specializing LLMs may exhibit potential trade-offs in performances on non-specialized tasks. On the other hand, our Self-MoE demonstrates substantial improvements over the base LLM across diverse benchmarks such as knowledge, reasoning, math, and coding. It also consistently outperforms other methods, including instance merging and weight merging, while offering better flexibility and interpretability by design with semantic experts and routing. Our findings highlight the critical role of modularity and the potential of self-improvement in achieving efficient, scalable, and adaptable systems.

Given the increasing use of synthetic data in language model (LM) post-training, an LM's ability to generate high-quality data has become nearly as crucial as its ability to solve problems directly. While prior works have focused on developing effective data generation methods, they lack systematic comparison of different LMs as data generators in a unified setting. To address this gap, we propose AgoraBench, a benchmark that provides standardized settings and metrics to evaluate LMs' data generation abilities. Through synthesizing 1.26 million training instances using 6 LMs and training 99 student models, we uncover key insights about LMs' data generation capabilities. First, we observe that LMs exhibit distinct strengths. For instance, GPT-4o excels at generating new problems, while Claude-3.5-Sonnet performs better at enhancing existing ones. Furthermore, our analysis reveals that an LM's data generation ability doesn't necessarily correlate with its problem-solving ability. Instead, multiple intrinsic features of data quality-including response quality, perplexity, and instruction difficulty-collectively serve as better indicators. Finally, we demonstrate that strategic choices in output format and cost-conscious model selection significantly impact data generation effectiveness.

Synthetic data generation has become essential for securely sharing and analyzing sensitive data sets. Traditional anonymization techniques, however, often fail to adequately preserve privacy. We introduce the Tabular Auto-Regressive Generative Network (TabularARGN), a neural network architecture specifically designed for generating high-quality synthetic tabular data. Using a discretization-based auto-regressive approach, TabularARGN achieves high data fidelity while remaining computationally efficient. We evaluate TabularARGN against existing synthetic data generation methods, showing competitive results in statistical similarity, machine learning utility, and detection robustness. We further perform an in-depth privacy evaluation using systematic membership-inference attacks, highlighting the robustness and effective privacy-utility balance of our approach.

Fine-tuning for large language models (LLMs) typically requires substantial amounts of high-quality supervised data, which is both costly and labor-intensive to acquire. While synthetic data generation has emerged as a promising solution, existing approaches frequently suffer from factual inaccuracies, insufficient long-tail coverage, simplistic knowledge structures, and homogenized outputs. To address these challenges, we introduce GraphGen, a knowledge graph-guided framework designed for three key question-answering (QA) scenarios: atomic QA, aggregated QA, and multi-hop QA. It begins by constructing a fine-grained knowledge graph from the source text. It then identifies knowledge gaps in LLMs using the expected calibration error metric, prioritizing the generation of QA pairs that target high-value, long-tail knowledge. Furthermore, GraphGen incorporates multi-hop neighborhood sampling to capture complex relational information and employs style-controlled generation to diversify the resulting QA data. Experimental results on knowledge-intensive tasks under closed-book settings demonstrate that GraphGen outperforms conventional synthetic data methods, offering a more reliable and comprehensive solution to the data scarcity challenge in supervised fine-tuning. The code and data are publicly available at https://github.com/open-sciencelab/GraphGen.

The public availability of collections containing user preferences is of vital importance for performing offline evaluations in the field of recommender systems. However, the number of rating datasets is limited because of the costs required for their creation and the fear of violating the privacy of the users by sharing them. For this reason, numerous research attempts investigated the creation of synthetic collections of ratings using generative approaches. Nevertheless, these datasets are usually not reliable enough for conducting an evaluation campaign. In this paper, we propose a method for creating synthetic datasets with a configurable number of users that mimic the characteristics of already existing ones. We empirically validated the proposed approach by exploiting the synthetic datasets for evaluating different recommenders and by comparing the results with the ones obtained using real datasets.

Building high-quality datasets for specialized tasks is a time-consuming and resource-intensive process that often requires specialized domain knowledge. We propose Corpus Retrieval and Augmentation for Fine-Tuning (CRAFT), a method for generating synthetic datasets, given a small number of user-written few-shots that demonstrate the task to be performed. Given the few-shot examples, we use large-scale public web-crawled corpora and similarity-based document retrieval to find other relevant human-written documents. Lastly, instruction-tuned large language models (LLMs) augment the retrieved documents into custom-formatted task samples, which then can be used for fine-tuning. We demonstrate that CRAFT can efficiently generate large-scale task-specific training datasets for four diverse tasks: biology question-answering (QA), medicine QA and commonsense QA as well as summarization. Our experiments show that CRAFT-based models outperform or achieve comparable performance to general LLMs for QA tasks, while CRAFT-based summarization models outperform models trained on human-curated data by 46 preference points.

Tabular datasets are ubiquitous in data science applications. Given their importance, it seems natural to apply state-of-the-art deep learning algorithms in order to fully unlock their potential. Here we propose neural network models that represent tabular time series that can optionally leverage their hierarchical structure. This results in two architectures for tabular time series: one for learning representations that is analogous to BERT and can be pre-trained end-to-end and used in downstream tasks, and one that is akin to GPT and can be used for generation of realistic synthetic tabular sequences. We demonstrate our models on two datasets: a synthetic credit card transaction dataset, where the learned representations are used for fraud detection and synthetic data generation, and on a real pollution dataset, where the learned encodings are used to predict atmospheric pollutant concentrations. Code and data are available at https://github.com/IBM/TabFormer.

We propose a method to recommend music for an input video while allowing a user to guide music selection with free-form natural language. A key challenge of this problem setting is that existing music video datasets provide the needed (video, music) training pairs, but lack text descriptions of the music. This work addresses this challenge with the following three contributions. First, we propose a text-synthesis approach that relies on an analogy-based prompting procedure to generate natural language music descriptions from a large-scale language model (BLOOM-176B) given pre-trained music tagger outputs and a small number of human text descriptions. Second, we use these synthesized music descriptions to train a new trimodal model, which fuses text and video input representations to query music samples. For training, we introduce a text dropout regularization mechanism which we show is critical to model performance. Our model design allows for the retrieved music audio to agree with the two input modalities by matching visual style depicted in the video and musical genre, mood, or instrumentation described in the natural language query. Third, to evaluate our approach, we collect a testing dataset for our problem by annotating a subset of 4k clips from the YT8M-MusicVideo dataset with natural language music descriptions which we make publicly available. We show that our approach can match or exceed the performance of prior methods on video-to-music retrieval while significantly improving retrieval accuracy when using text guidance.

We introduce SynFormer, a generative modeling framework designed to efficiently explore and navigate synthesizable chemical space. Unlike traditional molecular generation approaches, we generate synthetic pathways for molecules to ensure that designs are synthetically tractable. By incorporating a scalable transformer architecture and a diffusion module for building block selection, SynFormer surpasses existing models in synthesizable molecular design. We demonstrate SynFormer's effectiveness in two key applications: (1) local chemical space exploration, where the model generates synthesizable analogs of a reference molecule, and (2) global chemical space exploration, where the model aims to identify optimal molecules according to a black-box property prediction oracle. Additionally, we demonstrate the scalability of our approach via the improvement in performance as more computational resources become available. With our code and trained models openly available, we hope that SynFormer will find use across applications in drug discovery and materials science.

Despite recent advances in large language models, building dependable and deployable NLP models typically requires abundant, high-quality training data. However, task-specific data is not available for many use cases, and manually curating task-specific data is labor-intensive. Recent work has studied prompt-driven synthetic data generation using large language models, but these generated datasets tend to lack complexity and diversity. To address these limitations, we introduce a method, DataTune, to make better use of existing, publicly available datasets to improve automatic dataset generation. DataTune performs dataset transformation, enabling the repurposing of publicly available datasets into a format that is directly aligned with the specific requirements of target tasks. On a diverse set of language-based tasks from the BIG-Bench benchmark, we find that finetuning language models via DataTune improves over a few-shot prompting baseline by 49\% and improves over existing methods that use synthetic or retrieved training data by 34\%. We find that dataset transformation significantly increases the diversity and difficulty of generated data on many tasks. We integrate DataTune into an open-source repository to make this method accessible to the community: https://github.com/neulab/prompt2model.

Low-quality or scarce data has posed significant challenges for training deep neural networks in practice. While classical data augmentation cannot contribute very different new data, diffusion models opens up a new door to build self-evolving AI by generating high-quality and diverse synthetic data through text-guided prompts. However, text-only guidance cannot control synthetic images' proximity to the original images, resulting in out-of-distribution data detrimental to the model performance. To overcome the limitation, we study image guidance to achieve a spectrum of interpolations between synthetic and real images. With stronger image guidance, the generated images are similar to the training data but hard to learn. While with weaker image guidance, the synthetic images will be easier for model but contribute to a larger distribution gap with the original data. The generated full spectrum of data enables us to build a novel "Diffusion Curriculum (DisCL)". DisCL adjusts the image guidance level of image synthesis for each training stage: It identifies and focuses on hard samples for the model and assesses the most effective guidance level of synthetic images to improve hard data learning. We apply DisCL to two challenging tasks: long-tail (LT) classification and learning from low-quality data. It focuses on lower-guidance images of high-quality to learn prototypical features as a warm-up of learning higher-guidance images that might be weak on diversity or quality. Extensive experiments showcase a gain of 2.7% and 2.1% in OOD and ID macro-accuracy when applying DisCL to iWildCam dataset. On ImageNet-LT, DisCL improves the base model's tail-class accuracy from 4.4% to 23.64% and leads to a 4.02% improvement in all-class accuracy.

Existing LMs struggle with proof-oriented programming due to data scarcity, which manifest in two key ways: (1) a lack of sufficient corpora for proof-oriented programming languages such as F*, and (2) the absence of large-scale, project-level proof-oriented implementations that can teach the model the intricate reasoning process when performing proof-oriented programming. We present the first on synthetic data augmentation for project level proof oriented programming for both generation and repair. Our method addresses data scarcity by synthesizing basic proof-oriented programming problems for proficiency in that language; incorporating diverse coding data for reasoning capability elicitation and creating new proofs and repair data within existing repositories. This approach enables language models to both synthesize and repair proofs for function- and repository-level code. We show that our fine-tuned 14B parameter model, PoPilot, can exceed the performance of the models that outperforms GPT-4o in project-level proof-oriented programming by 64% relative margin, and can improve GPT-4o's performance by 54% by repairing its outputs over GPT-4o's self-repair.

Keeping track of all relevant recent publications and experimental results for a research area is a challenging task. Prior work has demonstrated the efficacy of information extraction models in various scientific areas. Recently, several datasets have been released for the yet understudied materials science domain. However, these datasets focus on sub-problems such as parsing synthesis procedures or on sub-domains, e.g., solid oxide fuel cells. In this resource paper, we present MuLMS, a new dataset of 50 open-access articles, spanning seven sub-domains of materials science. The corpus has been annotated by domain experts with several layers ranging from named entities over relations to frame structures. We present competitive neural models for all tasks and demonstrate that multi-task training with existing related resources leads to benefits.

We present MIPS, a novel method for program synthesis based on automated mechanistic interpretability of neural networks trained to perform the desired task, auto-distilling the learned algorithm into Python code. We test MIPS on a benchmark of 62 algorithmic tasks that can be learned by an RNN and find it highly complementary to GPT-4: MIPS solves 32 of them, including 13 that are not solved by GPT-4 (which also solves 30). MIPS uses an integer autoencoder to convert the RNN into a finite state machine, then applies Boolean or integer symbolic regression to capture the learned algorithm. As opposed to large language models, this program synthesis technique makes no use of (and is therefore not limited by) human training data such as algorithms and code from GitHub. We discuss opportunities and challenges for scaling up this approach to make machine-learned models more interpretable and trustworthy.

Automated computational analysis of the vast chemical space is critical for numerous fields of research such as drug discovery and material science. Representation learning techniques have recently been employed with the primary objective of generating compact and informative numerical expressions of complex data. One approach to efficiently learn molecular representations is processing string-based notations of chemicals via natural language processing (NLP) algorithms. Majority of the methods proposed so far utilize SMILES notations for this purpose; however, SMILES is associated with numerous problems related to validity and robustness, which may prevent the model from effectively uncovering the knowledge hidden in the data. In this study, we propose SELFormer, a transformer architecture-based chemical language model that utilizes a 100% valid, compact and expressive notation, SELFIES, as input, in order to learn flexible and high-quality molecular representations. SELFormer is pre-trained on two million drug-like compounds and fine-tuned for diverse molecular property prediction tasks. Our performance evaluation has revealed that, SELFormer outperforms all competing methods, including graph learning-based approaches and SMILES-based chemical language models, on predicting aqueous solubility of molecules and adverse drug reactions. We also visualized molecular representations learned by SELFormer via dimensionality reduction, which indicated that even the pre-trained model can discriminate molecules with differing structural properties. We shared SELFormer as a programmatic tool, together with its datasets and pre-trained models. Overall, our research demonstrates the benefit of using the SELFIES notations in the context of chemical language modeling and opens up new possibilities for the design and discovery of novel drug candidates with desired features.

Solving mathematical problems requires advanced reasoning abilities and presents notable challenges for large language models. Previous works usually synthesize data from proprietary models to augment existing datasets, followed by instruction tuning to achieve top-tier results. However, our analysis of these datasets reveals severe biases towards easy queries, with frequent failures to generate any correct response for the most challenging queries. Hypothesizing that difficult queries are crucial to learn complex reasoning, we propose Difficulty-Aware Rejection Tuning (DART), a method that allocates difficult queries more trials during the synthesis phase, enabling more extensive training on difficult samples. Utilizing DART, we have created new datasets for mathematical problem-solving that focus more on difficult queries and are substantially smaller than previous ones. Remarkably, our synthesis process solely relies on a 7B-sized open-weight model, without reliance on the commonly used proprietary GPT-4. We fine-tune various base models on our datasets ranging from 7B to 70B in size, resulting in a series of strong models called DART-MATH. In comprehensive in-domain and out-of-domain evaluation on 6 mathematical benchmarks, DART-MATH outperforms vanilla rejection tuning significantly, being superior or comparable to previous arts, despite using much smaller datasets and no proprietary models. Furthermore, our results position our synthetic datasets as the most effective and cost-efficient publicly available resources for advancing mathematical problem-solving.

Fine-tuning language models~(LMs) on human-generated data remains a prevalent practice. However, the performance of such models is often limited by the quantity and diversity of high-quality human data. In this paper, we explore whether we can go beyond human data on tasks where we have access to scalar feedback, for example, on math problems where one can verify correctness. To do so, we investigate a simple self-training method based on expectation-maximization, which we call ReST^{EM}, where we (1) generate samples from the model and filter them using binary feedback, (2) fine-tune the model on these samples, and (3) repeat this process a few times. Testing on advanced MATH reasoning and APPS coding benchmarks using PaLM-2 models, we find that ReST^{EM} scales favorably with model size and significantly surpasses fine-tuning only on human data. Overall, our findings suggest self-training with feedback can substantially reduce dependence on human-generated data.

Signature synthesis is a computation technique that generates artificial specimens which can support decision making in automatic signature verification. A lot of work has been dedicated to this subject, which centres on synthesizing dynamic and static two-dimensional handwriting on canvas. This paper proposes a framework to generate synthetic 3D on-air signatures exploiting the lognormality principle, which mimics the complex neuromotor control processes at play as the fingertip moves. Addressing the usual cases involving the development of artificial individuals and duplicated samples, this paper contributes to the synthesis of: (1) the trajectory and velocity of entirely 3D new signatures; (2) kinematic information when only the 3D trajectory of the signature is known, and (3) duplicate samples of 3D real signatures. Validation was conducted by generating synthetic 3D signature databases mimicking real ones and showing that automatic signature verifications of genuine and skilled forgeries report performances similar to those of real and synthetic databases. We also observed that training 3D automatic signature verifiers with duplicates can reduce errors. We further demonstrated that our proposal is also valid for synthesizing 3D air writing and gestures. Finally, a perception test confirmed the human likeness of the generated specimens. The databases generated are publicly available, only for research purposes, at .

Methods for designing organic materials with desired properties have high potential impact across fields such as medicine, renewable energy, petrochemical engineering, and agriculture. However, using generative modeling to design substances with desired properties is difficult because candidate compounds must satisfy multiple constraints, including synthetic accessibility and other metrics that are intuitive to domain experts but challenging to quantify. We propose C5T5, a novel self-supervised pretraining method that enables transformers to make zero-shot select-and-replace edits, altering organic substances towards desired property values. C5T5 operates on IUPAC names -- a standardized molecular representation that intuitively encodes rich structural information for organic chemists but that has been largely ignored by the ML community. Our technique requires no edited molecule pairs to train and only a rough estimate of molecular properties, and it has the potential to model long-range dependencies and symmetric molecular structures more easily than graph-based methods. C5T5 also provides a powerful interface to domain experts: it grants users fine-grained control over the generative process by selecting and replacing IUPAC name fragments, which enables experts to leverage their intuitions about structure-activity relationships. We demonstrate C5T5's effectiveness on four physical properties relevant for drug discovery, showing that it learns successful and chemically intuitive strategies for altering molecules towards desired property values.

Differentially private (DP) synthetic data, which closely resembles the original private data while maintaining strong privacy guarantees, has become a key tool for unlocking the value of private data without compromising privacy. Recently, Private Evolution (PE) has emerged as a promising method for generating DP synthetic data. Unlike other training-based approaches, PE only requires access to inference APIs from foundation models, enabling it to harness the power of state-of-the-art (SoTA) models. However, a suitable foundation model for a specific private data domain is not always available. In this paper, we discover that the PE framework is sufficiently general to allow APIs beyond foundation models. In particular, we demonstrate that many SoTA data synthesizers that do not rely on neural networks--such as computer graphics-based image generators, which we refer to as simulators--can be effectively integrated into PE. This insight significantly broadens PE's applicability and unlocks the potential of powerful simulators for DP data synthesis. We explore this approach, named Sim-PE, in the context of image synthesis. Across four diverse simulators, Sim-PE performs well, improving the downstream classification accuracy of PE by up to 3x, reducing FID by up to 80%, and offering much greater efficiency. We also show that simulators and foundation models can be easily leveraged together within PE to achieve further improvements. The code is open-sourced in the Private Evolution Python library: https://github.com/microsoft/DPSDA.

This research explores the integration of large language models (LLMs) into scientific data assimilation, focusing on combustion science as a case study. Leveraging foundational models integrated with Retrieval-Augmented Generation (RAG) framework, the study introduces an approach to process diverse combustion research data, spanning experimental studies, simulations, and literature. The multifaceted nature of combustion research emphasizes the critical role of knowledge processing in navigating and extracting valuable information from a vast and diverse pool of sources. The developed approach minimizes computational and economic expenses while optimizing data privacy and accuracy. It incorporates prompt engineering and offline open-source LLMs, offering user autonomy in selecting base models. The study provides a thorough examination of text segmentation strategies, conducts comparative studies between LLMs, and explores various optimized prompts to demonstrate the effectiveness of the framework. By incorporating an external database, the framework outperforms a conventional LLM in generating accurate responses and constructing robust arguments. Additionally, the study delves into the investigation of optimized prompt templates for the purpose of efficient extraction of scientific literature. The research addresses concerns related to hallucinations and false research articles by introducing a custom workflow developed with a detection algorithm to filter out inaccuracies. Despite identified areas for improvement, the framework consistently delivers accurate domain-specific responses with minimal human oversight. The prompt-agnostic approach introduced holds promise for future deliberations. The study underscores the significance of integrating LLMs and knowledge processing techniques in scientific research, providing a foundation for advancements in data assimilation and utilization.

The rapid advancement of large language models (LLMs) has sparked interest in data synthesis techniques, aiming to generate diverse and high-quality synthetic datasets. However, these synthetic datasets often suffer from a lack of diversity and added noise. In this paper, we present TarGEN, a multi-step prompting strategy for generating high-quality synthetic datasets utilizing a LLM. An advantage of TarGEN is its seedless nature; it does not require specific task instances, broadening its applicability beyond task replication. We augment TarGEN with a method known as self-correction empowering LLMs to rectify inaccurately labeled instances during dataset creation, ensuring reliable labels. To assess our technique's effectiveness, we emulate 8 tasks from the SuperGLUE benchmark and finetune various language models, including encoder-only, encoder-decoder, and decoder-only models on both synthetic and original training sets. Evaluation on the original test set reveals that models trained on datasets generated by TarGEN perform approximately 1-2% points better than those trained on original datasets (82.84% via syn. vs. 81.12% on og. using Flan-T5). When incorporating instruction tuning, the performance increases to 84.54% on synthetic data vs. 81.49% on original data by Flan-T5. A comprehensive analysis of the synthetic dataset compared to the original dataset reveals that the synthetic dataset demonstrates similar or higher levels of dataset complexity and diversity. Furthermore, the synthetic dataset displays a bias level that aligns closely with the original dataset. Finally, when pre-finetuned on our synthetic SuperGLUE dataset, T5-3B yields impressive results on the OpenLLM leaderboard, surpassing the model trained on the Self-Instruct dataset by 4.14% points. We hope that TarGEN can be helpful for quality data generation and reducing the human efforts to create complex benchmarks.

Large language models (LLMs) have demonstrated strong capabilities in programming and mathematical reasoning tasks, but are constrained by limited high-quality training data. Synthetic data can be leveraged to enhance fine-tuning outcomes, but several factors influence this process, including model size, synthetic data volume, pruning strategy, and number of fine-tuning rounds. We explore these axes and investigate which conditions enable model self-improvement. We introduce the Think, Prune, Train process, a scalable framework that iteratively fine-tunes models on their own reasoning traces, using ground-truth pruning to ensure high-quality training data. This approach yields improved performance: on GSM8K, Gemma2-2B achieves a Pass@1 of 57.6% (from 41.9%), Gemma2-9B reaches 82%, matching LLaMA-3.1-70B, and LLaMA-3.1-70B attains 91%, even surpassing GPT-4o, demonstrating the effectiveness of self-generated reasoning and systematic data selection for improving LLM capabilities.

One of the most reliable ways to create deployable models for specialized tasks is to obtain an adequate amount of high-quality task-specific data. However, for specialized tasks, often such datasets do not exist. Existing methods address this by creating such data from large language models (LLMs) and then distilling such knowledge into smaller models. However, these methods are limited by the quality of the LLMs output, and tend to generate repetitive or incorrect data. In this work, we present Retrieval Based Distillation (ReBase), a method that first retrieves data from rich online sources and then transforms them into domain-specific data. This method greatly enhances data diversity. Moreover, ReBase generates Chain-of-Thought reasoning and distills the reasoning capacity of LLMs. We test our method on 4 benchmarks and results show that our method significantly improves performance by up to 7.8% on SQuAD, 1.37% on MNLI, and 1.94% on BigBench-Hard.

The issue of copyright in generative models, particularly diffusion models, has become a prominent concern in recent years. Previous studies have predominantly focused on copyright violation at the image level, where generative models replicate copyrighted images entirely. Furthermore, these earlier studies have examined copyright infringements mainly using prompts that are semantically similar to target topics. However, copyright infringement can be more nuanced than mere replication of whole images and can be triggered with prompts that are less directly related to copyright topics. In our work, we tackle the limitations of previous studies by delving into partial copyright infringement, which treats parts of images as copyrighted content, using prompts that are considerably different from copyrighted topics. We develop a data generation pipeline that facilitates the creation of datasets for copyright research in diffusion models. Using our pipeline, we create datasets containing copyright infringement samples for different diffusion models. We conduct evaluations on generated data under various criteria. Our results show the prevalence of generating copyright-infringing content across a range of diffusion models, including the latest Stable Diffusion XL.

We propose a new shared task for tactical data-to-text generation in the domain of source code libraries. Specifically, we focus on text generation of function descriptions from example software projects. Data is drawn from existing resources used for studying the related problem of semantic parser induction (Richardson and Kuhn, 2017b; Richardson and Kuhn, 2017a), and spans a wide variety of both natural languages and programming languages. In this paper, we describe these existing resources, which will serve as training and development data for the task, and discuss plans for building new independent test sets.

We propose a method to control material attributes of objects like roughness, metallic, albedo, and transparency in real images. Our method capitalizes on the generative prior of text-to-image models known for photorealism, employing a scalar value and instructions to alter low-level material properties. Addressing the lack of datasets with controlled material attributes, we generated an object-centric synthetic dataset with physically-based materials. Fine-tuning a modified pre-trained text-to-image model on this synthetic dataset enables us to edit material properties in real-world images while preserving all other attributes. We show the potential application of our model to material edited NeRFs.

Recent advancements in large language models (LLMs) with extended context windows have significantly improved tasks such as information extraction, question answering, and complex planning scenarios. In order to achieve success in long context tasks, a large amount of work has been done to enhance the long context capabilities of the model through synthetic data. Existing methods typically utilize the Self-Instruct framework to generate instruction tuning data for better long context capability improvement. However, our preliminary experiments indicate that less than 35% of generated samples are multi-hop, and more than 40% exhibit poor quality, limiting comprehensive understanding and further research. To improve the quality of synthetic data, we propose the Multi-agent Interactive Multi-hop Generation (MIMG) framework, incorporating a Quality Verification Agent, a Single-hop Question Generation Agent, a Multiple Question Sampling Strategy, and a Multi-hop Question Merger Agent. This framework improves the data quality, with the proportion of high-quality, multi-hop, and diverse data exceeding 85%. Furthermore, we systematically investigate strategies for document selection, question merging, and validation techniques through extensive experiments across various models. Our findings show that our synthetic high-quality long-context instruction data significantly enhances model performance, even surpassing models trained on larger amounts of human-annotated data. Our code is available at: https://github.com/WowCZ/LongMIT.

Quality Estimation (QE) models evaluate the quality of machine translations without reference translations, serving as the reward models for the translation task. Due to the data scarcity, synthetic data generation has emerged as a promising solution. However, synthetic QE data often suffers from distribution shift, which can manifest as discrepancies between pseudo and real translations, or in pseudo labels that do not align with human preferences. To tackle this issue, we introduce DCSQE, a novel framework for alleviating distribution shift in synthetic QE data. To reduce the difference between pseudo and real translations, we employ the constrained beam search algorithm and enhance translation diversity through the use of distinct generation models. DCSQE uses references, i.e., translation supervision signals, to guide both the generation and annotation processes, enhancing the quality of token-level labels. DCSQE further identifies the shortest phrase covering consecutive error tokens, mimicking human annotation behavior, to assign the final phrase-level labels. Specially, we underscore that the translation model can not annotate translations of itself accurately. Extensive experiments demonstrate that DCSQE outperforms SOTA baselines like CometKiwi in both supervised and unsupervised settings. Further analysis offers insights into synthetic data generation that could benefit reward models for other tasks. The code is available at https://github.com/NJUNLP/njuqe.

Can the rapid advances in code generation, function calling, and data analysis using large language models (LLMs) help automate the search and verification of hypotheses purely from a set of provided datasets? To evaluate this question, we present DiscoveryBench, the first comprehensive benchmark that formalizes the multi-step process of data-driven discovery. The benchmark is designed to systematically assess current model capabilities in discovery tasks and provide a useful resource for improving them. Our benchmark contains 264 tasks collected across 6 diverse domains, such as sociology and engineering, by manually deriving discovery workflows from published papers to approximate the real-world challenges faced by researchers, where each task is defined by a dataset, its metadata, and a discovery goal in natural language. We additionally provide 903 synthetic tasks to conduct controlled evaluations across task complexity. Furthermore, our structured formalism of data-driven discovery enables a facet-based evaluation that provides useful insights into different failure modes. We evaluate several popular LLM-based reasoning frameworks using both open and closed LLMs as baselines on DiscoveryBench and find that even the best system scores only 25%. Our benchmark, thus, illustrates the challenges in autonomous data-driven discovery and serves as a valuable resource for the community to make progress.

Recent advancements in large language models (LLMs) have sparked considerable interest in automated theorem proving and a prominent line of research integrates stepwise LLM-based provers into tree search. In this paper, we introduce a novel proof-state exploration approach for training data synthesis, designed to produce diverse tactics across a wide range of intermediate proof states, thereby facilitating effective one-shot fine-tuning of LLM as the policy model. We also propose an adaptive beam size strategy, which effectively takes advantage of our data synthesis method and achieves a trade-off between exploration and exploitation during tree search. Evaluations on the MiniF2F and ProofNet benchmarks demonstrate that our method outperforms strong baselines under the stringent Pass@1 metric, attaining an average pass rate of 60.74% on MiniF2F and 21.18% on ProofNet. These results underscore the impact of large-scale synthetic data in advancing automated theorem proving.

Scarcity of domain-specific data in the Portuguese financial domain has disfavored the development of Natural Language Processing (NLP) applications. To address this limitation, the present study advocates for the utilization of synthetic data generated through data augmentation techniques. The investigation focuses on the augmentation of a dataset sourced from the Central Bank of Brazil FAQ, employing techniques that vary in semantic similarity. Supervised and unsupervised tasks are conducted to evaluate the impact of augmented data on both low and high semantic similarity scenarios. Additionally, the resultant dataset will be publicly disseminated on the Hugging Face Datasets platform, thereby enhancing accessibility and fostering broader engagement within the NLP research community.

Recent progress in large-scale language models has enabled breakthroughs in previously intractable computer programming tasks. Prior work in meta-learning and neural architecture search has led to substantial successes across various task domains, spawning myriad approaches for algorithmically optimizing the design and learning dynamics of deep learning models. At the intersection of these research areas, we implement a code-generating language model with the ability to modify its own source code. Self-programming AI algorithms have been of interest since the dawn of AI itself. Although various theoretical formulations of generalized self-programming AI have been posed, no such system has been successfully implemented to date under real-world computational constraints. Applying AI-based code generation to AI itself, we develop and experimentally validate the first practical implementation of a self-programming AI system. We empirically show that a self-programming AI implemented using a code generation model can successfully modify its own source code to improve performance and program sub-models to perform auxiliary tasks. Our model can self-modify various properties including model architecture, computational capacity, and learning dynamics.

Recent years have seen remarkable progress of text generation in different contexts, such as the most common setting of generating text from scratch, and the emerging paradigm of retrieval-and-rewriting. Text infilling, which fills missing text portions of a sentence or paragraph, is also of numerous use in real life, yet is under-explored. Previous work has focused on restricted settings by either assuming single word per missing portion or limiting to a single missing portion to the end of the text. This paper studies the general task of text infilling, where the input text can have an arbitrary number of portions to be filled, each of which may require an arbitrary unknown number of tokens. We study various approaches for the task, including a self-attention model with segment-aware position encoding and bidirectional context modeling. We create extensive supervised data by masking out text with varying strategies. Experiments show the self-attention model greatly outperforms others, creating a strong baseline for future research.

In an era of model and data proliferation in machine learning/AI especially marked by the rapid advancement of open-sourced technologies, there arises a critical need for standardized consistent documentation. Our work addresses the information incompleteness in current human-generated model and data cards. We propose an automated generation approach using Large Language Models (LLMs). Our key contributions include the establishment of CardBench, a comprehensive dataset aggregated from over 4.8k model cards and 1.4k data cards, coupled with the development of the CardGen pipeline comprising a two-step retrieval process. Our approach exhibits enhanced completeness, objectivity, and faithfulness in generated model and data cards, a significant step in responsible AI documentation practices ensuring better accountability and traceability.

While data synthesis and distillation are promising strategies to enhance small language models, current approaches heavily rely on Large Language Models (LLMs), which suffer from high computational costs, environmental inefficiency, and potential biases inherited from monolithic architectures. In contrast, smaller LLMs are more accessible and sustainable, but their individual capabilities often fall short in generating high-quality, diverse, and reliable data. Inspired by collaborative human processes (e.g., peer review), we propose a multiple small LLMs involved framework, GRA, that aggregates specialized roles across small LLMs to iterative refinement and quality control typically achieved by a single large LLM. In this collaborative framework, multiple small LLMs assume distinct roles-Generator, Reviewer, and Adjudicator-to simulate a peer-review-inspired data synthesis pipeline. The Generator proposes initial data samples, the Reviewer critiques their quality and diversity, and the Adjudicator resolves conflicts to finalize the output. By decomposing the synthesis process into specialized sub-tasks, collaborative small LLMs can achieve data-level parity with large LLM-based distillation. Through experiments across multiple benchmarks, we demonstrate that GRA-produced data matches or exceeds the quality of single large LLM outputs, e.g., Qwen-2.5-72B-Instruct. Our results challenge the necessity of monolithic large models for high-quality data synthesis, advocating instead for strategic coordination of smaller agents. Our datasets, models, and code are publicly available at https://github.com/GX-XinGao/GRA.

Deep graph generative modeling has proven capable of learning the distribution of complex, multi-scale structures characterizing real-world graphs. However, one of the main limitations of existing methods is their large output space, which limits generation scalability and hinders accurate modeling of the underlying distribution. To overcome these limitations, we propose a novel approach that significantly reduces the output space of existing graph generative models. Specifically, starting from the observation that many real-world graphs have low graph bandwidth, we restrict graph bandwidth during training and generation. Our strategy improves both generation scalability and quality without increasing architectural complexity or reducing expressiveness. Our approach is compatible with existing graph generative methods, and we describe its application to both autoregressive and one-shot models. We extensively validate our strategy on synthetic and real datasets, including molecular graphs. Our experiments show that, in addition to improving generation efficiency, our approach consistently improves generation quality and reconstruction accuracy. The implementation is made available.

The field of deep generative modeling has grown rapidly and consistently over the years. With the availability of massive amounts of training data coupled with advances in scalable unsupervised learning paradigms, recent large-scale generative models show tremendous promise in synthesizing high-resolution images and text, as well as structured data such as videos and molecules. However, we argue that current large-scale generative AI models do not sufficiently address several fundamental issues that hinder their widespread adoption across domains. In this work, we aim to identify key unresolved challenges in modern generative AI paradigms that should be tackled to further enhance their capabilities, versatility, and reliability. By identifying these challenges, we aim to provide researchers with valuable insights for exploring fruitful research directions, thereby fostering the development of more robust and accessible generative AI solutions.

While advances in large language models (LLMs) have greatly improved the quality of synthetic text data in recent years, synthesizing tabular data has received relatively less attention. We address this disparity with Tabby, a simple but powerful post-training modification to the standard Transformer language model architecture, enabling its use for tabular dataset synthesis. Tabby enables the representation of differences across columns using Gated Mixture-of-Experts, with column-specific sets of parameters. Empirically, Tabby results in data quality near or equal to that of real data. By pairing our novel LLM table training technique, Plain, with Tabby, we observe up to a 44% improvement in quality over previous methods. We also show that Tabby extends beyond tables to more general structured data, reaching parity with real data on a nested JSON dataset as well.

Large language models (LLMs) have displayed an impressive ability to harness natural language to perform complex tasks. In this work, we explore whether we can leverage this learned ability to find and explain patterns in data. Specifically, given a pre-trained LLM and data examples, we introduce interpretable autoprompting (iPrompt), an algorithm that generates a natural-language string explaining the data. iPrompt iteratively alternates between generating explanations with an LLM and reranking them based on their performance when used as a prompt. Experiments on a wide range of datasets, from synthetic mathematics to natural-language understanding, show that iPrompt can yield meaningful insights by accurately finding groundtruth dataset descriptions. Moreover, the prompts produced by iPrompt are simultaneously human-interpretable and highly effective for generalization: on real-world sentiment classification datasets, iPrompt produces prompts that match or even improve upon human-written prompts for GPT-3. Finally, experiments with an fMRI dataset show the potential for iPrompt to aid in scientific discovery. All code for using the methods and data here is made available on Github.

Instruction tuning is a burgeoning method to elicit the general intelligence of Large Language Models (LLMs). However, the creation of instruction data is still largely heuristic, leading to significant variation in quality and distribution across existing datasets. Experimental conclusions drawn from these datasets are also inconsistent, with some studies emphasizing the importance of scaling instruction numbers, while others argue that a limited number of samples suffice. To better understand data construction guidelines, we deepen our focus from the overall model performance to the growth of each underlying ability, such as creative writing, code generation, and logical reasoning. We systematically investigate the effects of data volume, parameter size, and data construction methods on the development of various abilities, using hundreds of model checkpoints (7b to 33b) fully instruction-tuned on a new collection of over 40k human-curated instruction data. This proposed dataset is stringently quality-controlled and categorized into ten distinct LLM abilities. Our study reveals three primary findings: (i) Despite data volume and parameter scale directly impacting models' overall performance, some abilities are more responsive to their increases and can be effectively trained using limited data, while some are highly resistant to these changes. (ii) Human-curated data strongly outperforms synthetic data from GPT-4 in efficiency and can constantly enhance model performance with volume increases, but is unachievable with synthetic data. (iii) Instruction data brings powerful cross-ability generalization, with evaluation results on out-of-domain data mirroring the first two observations. Furthermore, we demonstrate how these findings can guide more efficient data constructions, leading to practical performance improvements on public benchmarks.

Large language models (LLMs) have significantly benefited from training on diverse, high-quality task-specific data, leading to impressive performance across a range of downstream applications. Current methods often rely on human-annotated data or predefined task templates to direct powerful LLMs in synthesizing task-relevant data for effective model training. However, this dependence on manually designed components may constrain the scope of generated data, potentially overlooking critical edge cases or novel scenarios that could challenge the model. In this paper, we present a novel approach, ReverseGen, designed to automatically generate effective training samples that expose the weaknesses of LLMs. Specifically, we introduce a dedicated proposer trained to produce queries that lead target models to generate unsatisfactory responses. These failure-inducing queries are then used to construct training data, helping to address the models' shortcomings and improve overall performance. Our approach is flexible and can be applied to models of various scales (3B, 7B, and 8B). We evaluate ReverseGen on three key applications (safety, honesty, and math), demonstrating that our generated data is both highly effective and diverse. Models fine-tuned with ReverseGen-generated data consistently outperform those trained on human-annotated or general model-generated data, offering a new perspective on data synthesis for task-specific LLM enhancement.

Large Language Models (LLMs) have shown the potential to revolutionize natural language processing tasks in various domains, sparking great interest in vertical-specific large models. However, unlike proprietary models such as BloombergGPT and FinGPT, which have leveraged their unique data accumulations to make strides in the finance domain, there hasn't not many similar large language models in the Chinese legal domain to facilitate its digital transformation. In this paper, we propose an open-source legal large language model named ChatLaw. Due to the importance of data quality, we carefully designed a legal domain fine-tuning dataset. Additionally, to overcome the problem of model hallucinations in legal data screening during reference data retrieval, we introduce a method that combines vector database retrieval with keyword retrieval to effectively reduce the inaccuracy of relying solely on vector database retrieval. Furthermore, we propose a self-attention method to enhance the ability of large models to overcome errors present in reference data, further optimizing the issue of model hallucinations at the model level and improving the problem-solving capabilities of large models. We also open-sourced our model and part of the data at https://github.com/PKU-YuanGroup/ChatLaw.

Although large language models (LLMs) have achieved remarkable performance across various tasks, they remain prone to errors. A key challenge is enabling them to self-correct. While prior research has relied on external tools or large proprietary models, this work explores self-correction in small language models (SLMs) through iterative fine-tuning using solely self-generated data. We introduce the Self-Taught Self-Correction (STaSC) algorithm, which incorporates multiple algorithmic design choices. Experimental results on a question-answering task demonstrate that STaSC effectively learns self-correction, leading to significant performance improvements. Our analysis further provides insights into the mechanisms of self-correction and the impact of different design choices on learning dynamics and overall performance. To support future research, we release our user-friendly codebase and lightweight models.

Self-supervised learning holds promise to revolutionize molecule property prediction - a central task to drug discovery and many more industries - by enabling data efficient learning from scarce experimental data. Despite significant progress, non-pretrained methods can be still competitive in certain settings. We reason that architecture might be a key bottleneck. In particular, enriching the backbone architecture with domain-specific inductive biases has been key for the success of self-supervised learning in other domains. In this spirit, we methodologically explore the design space of the self-attention mechanism tailored to molecular data. We identify a novel variant of self-attention adapted to processing molecules, inspired by the relative self-attention layer, which involves fusing embedded graph and distance relationships between atoms. Our main contribution is Relative Molecule Attention Transformer (R-MAT): a novel Transformer-based model based on the developed self-attention layer that achieves state-of-the-art or very competitive results across a~wide range of molecule property prediction tasks.

Recent work has shown the immense potential of synthetically generated datasets for training large language models (LLMs), especially for acquiring targeted skills. Current large-scale math instruction tuning datasets such as MetaMathQA (Yu et al., 2024) and MAmmoTH (Yue et al., 2024) are constructed using outputs from closed-source LLMs with commercially restrictive licenses. A key reason limiting the use of open-source LLMs in these data generation pipelines has been the wide gap between the mathematical skills of the best closed-source LLMs, such as GPT-4, and the best open-source LLMs. Building on the recent progress in open-source LLMs, our proposed prompting novelty, and some brute-force scaling, we construct OpenMathInstruct-1, a math instruction tuning dataset with 1.8M problem-solution pairs. The dataset is constructed by synthesizing code-interpreter solutions for GSM8K and MATH, two popular math reasoning benchmarks, using the recently released and permissively licensed Mixtral model. Our best model, OpenMath-CodeLlama-70B, trained on a subset of OpenMathInstruct-1, achieves a score of 84.6% on GSM8K and 50.7% on MATH, which is competitive with the best gpt-distilled models. We release our code, models, and the OpenMathInstruct-1 dataset under a commercially permissive license.

Efficient experiment reproduction is critical to accelerating progress in artificial intelligence. However, the inherent complexity of method design and training procedures presents substantial challenges for automation. Notably, reproducing experiments often requires implicit domain-specific knowledge not explicitly documented in the original papers. To address this, we introduce the paper lineage algorithm, which identifies and extracts implicit knowledge from the relevant references cited by the target paper. Building on this idea, we propose AutoReproduce, a multi-agent framework capable of automatically reproducing experiments described in research papers in an end-to-end manner. AutoReproduce enhances code executability by generating unit tests alongside the reproduction process. To evaluate the reproduction capability, we construct ReproduceBench, a benchmark annotated with verified implementations, and introduce novel evaluation metrics to assess both the reproduction and execution fidelity. Experimental results demonstrate that AutoReproduce outperforms the existing strong agent baselines on all five evaluation metrics by a peak margin of over 70%. In particular, compared to the official implementations, AutoReproduce achieves an average performance gap of 22.1% on 89.74% of the executable experiment runs. The code will be available at https://github.com/AI9Stars/AutoReproduce.

We present Synthio, a novel approach for augmenting small-scale audio classification datasets with synthetic data. Our goal is to improve audio classification accuracy with limited labeled data. Traditional data augmentation techniques, which apply artificial transformations (e.g., adding random noise or masking segments), struggle to create data that captures the true diversity present in real-world audios. To address this shortcoming, we propose to augment the dataset with synthetic audio generated from text-to-audio (T2A) diffusion models. However, synthesizing effective augmentations is challenging because not only should the generated data be acoustically consistent with the underlying small-scale dataset, but they should also have sufficient compositional diversity. To overcome the first challenge, we align the generations of the T2A model with the small-scale dataset using preference optimization. This ensures that the acoustic characteristics of the generated data remain consistent with the small-scale dataset. To address the second challenge, we propose a novel caption generation technique that leverages the reasoning capabilities of Large Language Models to (1) generate diverse and meaningful audio captions and (2) iteratively refine their quality. The generated captions are then used to prompt the aligned T2A model. We extensively evaluate Synthio on ten datasets and four simulated limited-data settings. Results indicate our method consistently outperforms all baselines by 0.1%-39% using a T2A model trained only on weakly-captioned AudioSet.

Can continuous diffusion models bring the same performance breakthrough on natural language they did for image generation? To circumvent the discrete nature of text data, we can simply project tokens in a continuous space of embeddings, as is standard in language modeling. We propose Self-conditioned Embedding Diffusion, a continuous diffusion mechanism that operates on token embeddings and allows to learn flexible and scalable diffusion models for both conditional and unconditional text generation. Through qualitative and quantitative evaluation, we show that our text diffusion models generate samples comparable with those produced by standard autoregressive language models - while being in theory more efficient on accelerator hardware at inference time. Our work paves the way for scaling up diffusion models for text, similarly to autoregressive models, and for improving performance with recent refinements to continuous diffusion.

High-quality instruction data is critical for aligning large language models (LLMs). Although some models, such as Llama-3-Instruct, have open weights, their alignment data remain private, which hinders the democratization of AI. High human labor costs and a limited, predefined scope for prompting prevent existing open-source data creation methods from scaling effectively, potentially limiting the diversity and quality of public alignment datasets. Is it possible to synthesize high-quality instruction data at scale by extracting it directly from an aligned LLM? We present a self-synthesis method for generating large-scale alignment data named Magpie. Our key observation is that aligned LLMs like Llama-3-Instruct can generate a user query when we input only the left-side templates up to the position reserved for user messages, thanks to their auto-regressive nature. We use this method to prompt Llama-3-Instruct and generate 4 million instructions along with their corresponding responses. We perform a comprehensive analysis of the extracted data and select 300K high-quality instances. To compare Magpie data with other public instruction datasets, we fine-tune Llama-3-8B-Base with each dataset and evaluate the performance of the fine-tuned models. Our results indicate that in some tasks, models fine-tuned with Magpie perform comparably to the official Llama-3-8B-Instruct, despite the latter being enhanced with 10 million data points through supervised fine-tuning (SFT) and subsequent feedback learning. We also show that using Magpie solely for SFT can surpass the performance of previous public datasets utilized for both SFT and preference optimization, such as direct preference optimization with UltraFeedback. This advantage is evident on alignment benchmarks such as AlpacaEval, ArenaHard, and WildBench.

The discovery of novel materials and functional molecules can help to solve some of society's most urgent challenges, ranging from efficient energy harvesting and storage to uncovering novel pharmaceutical drug candidates. Traditionally matter engineering -- generally denoted as inverse design -- was based massively on human intuition and high-throughput virtual screening. The last few years have seen the emergence of significant interest in computer-inspired designs based on evolutionary or deep learning methods. The major challenge here is that the standard strings molecular representation SMILES shows substantial weaknesses in that task because large fractions of strings do not correspond to valid molecules. Here, we solve this problem at a fundamental level and introduce SELFIES (SELF-referencIng Embedded Strings), a string-based representation of molecules which is 100\% robust. Every SELFIES string corresponds to a valid molecule, and SELFIES can represent every molecule. SELFIES can be directly applied in arbitrary machine learning models without the adaptation of the models; each of the generated molecule candidates is valid. In our experiments, the model's internal memory stores two orders of magnitude more diverse molecules than a similar test with SMILES. Furthermore, as all molecules are valid, it allows for explanation and interpretation of the internal working of the generative models.