Daily Papers

Preference learning is critical for aligning large language models (LLMs) with human values, yet its success hinges on high-quality datasets comprising three core components: Preference Annotations, Instructions, and Response Pairs. Current approaches conflate these components, obscuring their individual impacts and hindering systematic optimization. In this work, we propose AIR, a component-wise analysis framework that systematically isolates and optimizes each component while evaluating their synergistic effects. Through rigorous experimentation, AIR reveals actionable principles: annotation simplicity (point-wise generative scoring), instruction inference stability (variance-based filtering across LLMs), and response pair quality (moderate margins + high absolute scores). When combined, these principles yield +5.3 average gains over baseline method, even with only 14k high-quality pairs. Our work shifts preference dataset design from ad hoc scaling to component-aware optimization, offering a blueprint for efficient, reproducible alignment.

Applying Reinforcement Learning (RL) to Video Large Language Models (Video-LLMs) shows significant promise for complex video reasoning. However, popular Reinforcement Fine-Tuning (RFT) methods, such as outcome-based Group Relative Policy Optimization (GRPO), are limited by data preparation bottlenecks (e.g., noise or high cost) and exhibit unstable improvements in the quality of long chain-of-thoughts (CoTs) and downstream performance.To address these limitations, we propose VerIPO, a Verifier-guided Iterative Policy Optimization method designed to gradually improve video LLMs' capacity for generating deep, long-term reasoning chains. The core component is Rollout-Aware Verifier, positioned between the GRPO and Direct Preference Optimization (DPO) training phases to form the GRPO-Verifier-DPO training loop. This verifier leverages small LLMs as a judge to assess the reasoning logic of rollouts, enabling the construction of high-quality contrastive data, including reflective and contextually consistent CoTs. These curated preference samples drive the efficient DPO stage (7x faster than GRPO), leading to marked improvements in reasoning chain quality, especially in terms of length and contextual consistency. This training loop benefits from GRPO's expansive search and DPO's targeted optimization. Experimental results demonstrate: 1) Significantly faster and more effective optimization compared to standard GRPO variants, yielding superior performance; 2) Our trained models exceed the direct inference of large-scale instruction-tuned Video-LLMs, producing long and contextually consistent CoTs on diverse video reasoning tasks; and 3) Our model with one iteration outperforms powerful LMMs (e.g., Kimi-VL) and long reasoning models (e.g., Video-R1), highlighting its effectiveness and stability.

Large language models (LLMs) have shown impressive capabilities in real-world applications. The capability of in-context learning (ICL) allows us to adapt an LLM to downstream tasks by including input-label exemplars in the prompt without model fine-tuning. However, the quality of these exemplars in the prompt greatly impacts performance, highlighting the need for an effective automated exemplar selection method. Recent studies have explored retrieval-based approaches to select exemplars tailored to individual test queries, which can be undesirable due to extra test-time computation and an increased risk of data exposure. Moreover, existing methods fail to adequately account for the impact of exemplar ordering on the performance. On the other hand, the impact of the instruction, another essential component in the prompt given to the LLM, is often overlooked in existing exemplar selection methods. To address these challenges, we propose a novel method named EASE, which leverages the hidden embedding from a pre-trained language model to represent ordered sets of exemplars and uses a neural bandit algorithm to optimize the sets of exemplars while accounting for exemplar ordering. Our EASE can efficiently find an ordered set of exemplars that performs well for all test queries from a given task, thereby eliminating test-time computation. Importantly, EASE can be readily extended to jointly optimize both the exemplars and the instruction. Through extensive empirical evaluations (including novel tasks), we demonstrate the superiority of EASE over existing methods, and reveal practical insights about the impact of exemplar selection on ICL, which may be of independent interest. Our code is available at https://github.com/ZhaoxuanWu/EASE-Prompt-Optimization.

In this paper, we present DevFormer, a novel transformer-based architecture for addressing the complex and computationally demanding problem of hardware design optimization. Despite the demonstrated efficacy of transformers in domains including natural language processing and computer vision, their use in hardware design has been limited by the scarcity of offline data. Our approach addresses this limitation by introducing strong inductive biases such as relative positional embeddings and action-permutation symmetricity that effectively capture the hardware context and enable efficient design optimization with limited offline data. We apply DevFoemer to the problem of decoupling capacitor placement and show that it outperforms state-of-the-art methods in both simulated and real hardware, leading to improved performances while reducing the number of components by more than 30%. Finally, we show that our approach achieves promising results in other offline contextual learning-based combinatorial optimization tasks.

Large language models (LLMs) have achieved impressive performance but face high computational costs and latency, limiting their deployment in resource-constrained settings. In contrast, small-scale LLMs (SLMs) are more efficient yet struggle to capture evolving real-world knowledge. Retrieval-augmented generation (RAG) helps by integrating external knowledge, but imperfect retrieval can introduce distracting noise that misleads SLMs. We propose RoseRAG, a robust RAG framework for SLMs via Margin-aware Preference Optimization. RoseRAG employs multi-turn prompting for detailed reasoning, rejection sampling for high-quality explanations, and contrastive preference selection to refine responses by maximizing the likelihood gap between preferred and non-preferred outputs. By integrating these components into a margin-aware optimization process, RoseRAG robustly enhances the accuracy and reliability of SLMs for RAG applications. Extensive experiments on three open-domain question answering benchmarks indicate that our innovative RoseRAG surpasses state-of-the-art baselines significantly.

Preference optimization for diffusion models aims to align them with human preferences for images. Previous methods typically leverage Vision-Language Models (VLMs) as pixel-level reward models to approximate human preferences. However, when used for step-level preference optimization, these models face challenges in handling noisy images of different timesteps and require complex transformations into pixel space. In this work, we demonstrate that diffusion models are inherently well-suited for step-level reward modeling in the latent space, as they can naturally extract features from noisy latent images. Accordingly, we propose the Latent Reward Model (LRM), which repurposes components of diffusion models to predict preferences of latent images at various timesteps. Building on LRM, we introduce Latent Preference Optimization (LPO), a method designed for step-level preference optimization directly in the latent space. Experimental results indicate that LPO not only significantly enhances performance in aligning diffusion models with general, aesthetic, and text-image alignment preferences, but also achieves 2.5-28times training speedup compared to existing preference optimization methods. Our code will be available at https://github.com/casiatao/LPO.

Mobile task automation is an attractive technique that aims to enable voice-based hands-free user interaction with smartphones. However, existing approaches suffer from poor scalability due to the limited language understanding ability and the non-trivial manual efforts required from developers or end-users. The recent advance of large language models (LLMs) in language understanding and reasoning inspires us to rethink the problem from a model-centric perspective, where task preparation, comprehension, and execution are handled by a unified language model. In this work, we introduce AutoDroid, a mobile task automation system that can handle arbitrary tasks on any Android application without manual efforts. The key insight is to combine the commonsense knowledge of LLMs and domain-specific knowledge of apps through automated dynamic analysis. The main components include a functionality-aware UI representation method that bridges the UI with the LLM, exploration-based memory injection techniques that augment the app-specific domain knowledge of LLM, and a multi-granularity query optimization module that reduces the cost of model inference. We integrate AutoDroid with off-the-shelf LLMs including online GPT-4/GPT-3.5 and on-device Vicuna, and evaluate its performance on a new benchmark for memory-augmented Android task automation with 158 common tasks. The results demonstrated that AutoDroid is able to precisely generate actions with an accuracy of 90.9%, and complete tasks with a success rate of 71.3%, outperforming the GPT-4-powered baselines by 36.4% and 39.7%. The demo, benchmark suites, and source code of AutoDroid will be released at url{https://autodroid-sys.github.io/}.

Roadside Collaborative Perception refers to a system where multiple roadside units collaborate to pool their perceptual data, assisting vehicles in enhancing their environmental awareness. Existing roadside perception methods concentrate on model design but overlook data issues like calibration errors, sparse information, and multi-view consistency, leading to poor performance on recent published datasets. To significantly enhance roadside collaborative perception and address critical data issues, we present the first simulation framework RoCo-Sim for road-side collaborative perception. RoCo-Sim is capable of generating diverse, multi-view consistent simulated roadside data through dynamic foreground editing and full-scene style transfer of a single image. RoCo-Sim consists of four components: (1) Camera Extrinsic Optimization ensures accurate 3D to 2D projection for roadside cameras; (2) A novel Multi-View Occlusion-Aware Sampler (MOAS) determines the placement of diverse digital assets within 3D space; (3) DepthSAM innovatively models foreground-background relationships from single-frame fixed-view images, ensuring multi-view consistency of foreground; and (4) Scalable Post-Processing Toolkit generates more realistic and enriched scenes through style transfer and other enhancements. RoCo-Sim significantly improves roadside 3D object detection, outperforming SOTA methods by 83.74 on Rcooper-Intersection and 83.12 on TUMTraf-V2X for AP70. RoCo-Sim fills a critical gap in roadside perception simulation. Code and pre-trained models will be released soon: https://github.com/duyuwen-duen/RoCo-Sim

Natural Language to SQL (NL2SQL) has emerged as a critical task for enabling seamless interaction with databases. Recent advancements in Large Language Models (LLMs) have demonstrated remarkable performance in this domain. However, existing NL2SQL methods predominantly rely on closed-source LLMs leveraging prompt engineering, while open-source models typically require fine-tuning to acquire domain-specific knowledge. Despite these efforts, open-source LLMs struggle with complex NL2SQL tasks due to the indirect expression of user query objectives and the semantic gap between user queries and database schemas. Inspired by the application of reinforcement learning in mathematical problem-solving to encourage step-by-step reasoning in LLMs, we propose LearNAT (Learning NL2SQL with AST-guided Task Decomposition), a novel framework that improves the performance of open-source LLMs on complex NL2SQL tasks through task decomposition and reinforcement learning. LearNAT introduces three key components: (1) a Decomposition Synthesis Procedure that leverages Abstract Syntax Trees (ASTs) to guide efficient search and pruning strategies for task decomposition, (2) Margin-aware Reinforcement Learning, which employs fine-grained step-level optimization via DPO with AST margins, and (3) Adaptive Demonstration Reasoning, a mechanism for dynamically selecting relevant examples to enhance decomposition capabilities. Extensive experiments on two benchmark datasets, Spider and BIRD, demonstrate that LearNAT enables a 7B-parameter open-source LLM to achieve performance comparable to GPT-4, while offering improved efficiency and accessibility.

Leveraging large language models in real-world settings often entails a need to utilize domain-specific data and tools in order to follow the complex regulations that need to be followed for acceptable use. Within financial sectors, modern enterprises increasingly rely on Retrieval-Augmented Generation (RAG) systems to address complex compliance requirements in financial document workflows. However, existing solutions struggle to account for the inherent heterogeneity of data (e.g., text, tables, diagrams) and evolving nature of regulatory standards used in financial filings, leading to compromised accuracy in critical information extraction. We propose the FinSage framework as a solution, utilizing a multi-aspect RAG framework tailored for regulatory compliance analysis in multi-modal financial documents. FinSage introduces three innovative components: (1) a multi-modal pre-processing pipeline that unifies diverse data formats and generates chunk-level metadata summaries, (2) a multi-path sparse-dense retrieval system augmented with query expansion (HyDE) and metadata-aware semantic search, and (3) a domain-specialized re-ranking module fine-tuned via Direct Preference Optimization (DPO) to prioritize compliance-critical content. Extensive experiments demonstrate that FinSage achieves an impressive recall of 92.51% on 75 expert-curated questions derived from surpasses the best baseline method on the FinanceBench question answering datasets by 24.06% in accuracy. Moreover, FinSage has been successfully deployed as financial question-answering agent in online meetings, where it has already served more than 1,200 people.

As test-time scaling becomes a pivotal research frontier in Large Language Models (LLMs) development, contemporary and advanced post-training methodologies increasingly focus on extending the generation length of long Chain-of-Thought (CoT) responses to enhance reasoning capabilities toward DeepSeek R1-like performance. However, recent studies reveal a persistent overthinking phenomenon in state-of-the-art reasoning models, manifesting as excessive redundancy or repetitive thinking patterns in long CoT responses. To address this issue, in this paper, we propose a simple yet effective two-stage reinforcement learning framework for achieving concise reasoning in LLMs, named ConciseR. Specifically, the first stage, using more training steps, aims to incentivize the model's reasoning capabilities via Group Relative Policy Optimization with clip-higher and dynamic sampling components (GRPO++), and the second stage, using fewer training steps, explicitly enforces conciseness and improves efficiency via Length-aware Group Relative Policy Optimization (L-GRPO). Significantly, ConciseR only optimizes response length once all rollouts of a sample are correct, following the "walk before you run" principle. Extensive experimental results demonstrate that our ConciseR model, which generates more concise CoT reasoning responses, outperforms recent state-of-the-art reasoning models with zero RL paradigm across AIME 2024, MATH-500, AMC 2023, Minerva, and Olympiad benchmarks.

The emergence of large-scale Mixture of Experts (MoE) models has marked a significant advancement in artificial intelligence, offering enhanced model capacity and computational efficiency through conditional computation. However, the deployment and inference of these models present substantial challenges in terms of computational resources, latency, and energy efficiency. This comprehensive survey systematically analyzes the current landscape of inference optimization techniques for MoE models across the entire system stack. We first establish a taxonomical framework that categorizes optimization approaches into model-level, system-level, and hardware-level optimizations. At the model level, we examine architectural innovations including efficient expert design, attention mechanisms, various compression techniques such as pruning, quantization, and knowledge distillation, as well as algorithm improvement including dynamic routing strategies and expert merging methods. At the system level, we investigate distributed computing approaches, load balancing mechanisms, and efficient scheduling algorithms that enable scalable deployment. Furthermore, we delve into hardware-specific optimizations and co-design strategies that maximize throughput and energy efficiency. This survey not only provides a structured overview of existing solutions but also identifies key challenges and promising research directions in MoE inference optimization. Our comprehensive analysis serves as a valuable resource for researchers and practitioners working on large-scale deployment of MoE models in resource-constrained environments. To facilitate ongoing updates and the sharing of cutting-edge advances in MoE inference optimization research, we have established a repository accessible at https://github.com/MoE-Inf/awesome-moe-inference/.

We propose a novel approach to scaling LLM inference for code generation. We frame code generation as a black box optimization problem within the code space, and employ optimization-inspired techniques to enhance exploration. Specifically, we introduce Scattered Forest Search to enhance solution diversity while searching for solutions. Our theoretical analysis illustrates how these methods avoid local optima during optimization. Extensive experiments on HumanEval, MBPP, APPS, CodeContests, and Leetcode reveal significant performance improvements. For instance, our method achieves a pass@1 rate of 67.1% on HumanEval+ and 87.2% on HumanEval with GPT-3.5, marking improvements of 8.6% and 4.3% over the state-of-the-art, while also halving the iterations needed to find the correct solution. Furthermore, our method scales more efficiently than existing search techniques, including tree search, line search, and repeated sampling.

Reverse-mode differentiation is used for optimization, but it introduces references, which break the purity of the underlying programs, making them notoriously harder to optimize. We present a reverse-mode differentiation on a purely functional language with array operations. It is the first one to deliver a provably efficient, purely functional, and denotationally correct reverse-mode differentiation. We show that our transformation is semantically correct and verifies the cheap gradient principle. Inspired by PROPs and compilation to categories, we introduce a novel intermediate representation that we call 'unary form'. Our reverse-mode transformation is factored as a compilation scheme through this intermediate representation. We obtain provably efficient gradients by performing general partial evaluation optimizations after our reverse-mode transformation, as opposed to manually derived ones. For simple first-order programs, the obtained output programs resemble static-single-assignment (SSA) code. We emphasize the modularity of our approach and show how our language can easily be enriched with more optimized primitives, as required for some speed-ups in practice.

Optimization plays a costly and crucial role in developing machine learning systems. In learned optimizers, the few hyperparameters of commonly used hand-designed optimizers, e.g. Adam or SGD, are replaced with flexible parametric functions. The parameters of these functions are then optimized so that the resulting learned optimizer minimizes a target loss on a chosen class of models. Learned optimizers can both reduce the number of required training steps and improve the final test loss. However, they can be expensive to train, and once trained can be expensive to use due to computational and memory overhead for the optimizer itself. In this work, we identify and quantify the design features governing the memory, compute, and performance trade-offs for many learned and hand-designed optimizers. We further leverage our analysis to construct a learned optimizer that is both faster and more memory efficient than previous work. Our model and training code are open source.

We explore the novel application of Large Language Models to code optimization. We present a 7B-parameter transformer model trained from scratch to optimize LLVM assembly for code size. The model takes as input unoptimized assembly and outputs a list of compiler options to best optimize the program. Crucially, during training, we ask the model to predict the instruction counts before and after optimization, and the optimized code itself. These auxiliary learning tasks significantly improve the optimization performance of the model and improve the model's depth of understanding. We evaluate on a large suite of test programs. Our approach achieves a 3.0% improvement in reducing instruction counts over the compiler, outperforming two state-of-the-art baselines that require thousands of compilations. Furthermore, the model shows surprisingly strong code reasoning abilities, generating compilable code 91% of the time and perfectly emulating the output of the compiler 70% of the time.

Compared to the wide array of advanced Monte Carlo methods supported by modern probabilistic programming languages (PPLs), PPL support for variational inference (VI) is less developed: users are typically limited to a predefined selection of variational objectives and gradient estimators, which are implemented monolithically (and without formal correctness arguments) in PPL backends. In this paper, we propose a more modular approach to supporting variational inference in PPLs, based on compositional program transformation. In our approach, variational objectives are expressed as programs, that may employ first-class constructs for computing densities of and expected values under user-defined models and variational families. We then transform these programs systematically into unbiased gradient estimators for optimizing the objectives they define. Our design enables modular reasoning about many interacting concerns, including automatic differentiation, density accumulation, tracing, and the application of unbiased gradient estimation strategies. Additionally, relative to existing support for VI in PPLs, our design increases expressiveness along three axes: (1) it supports an open-ended set of user-defined variational objectives, rather than a fixed menu of options; (2) it supports a combinatorial space of gradient estimation strategies, many not automated by today's PPLs; and (3) it supports a broader class of models and variational families, because it supports constructs for approximate marginalization and normalization (previously introduced only for Monte Carlo inference). We implement our approach in an extension to the Gen probabilistic programming system (genjax.vi, implemented in JAX), and evaluate on several deep generative modeling tasks, showing minimal performance overhead vs. hand-coded implementations and performance competitive with well-established open-source PPLs.

We study the problem of constrained efficient global optimization, where both the objective and constraints are expensive black-box functions that can be learned with Gaussian processes. We propose CONFIG (CONstrained efFIcient Global Optimization), a simple and effective algorithm to solve it. Under certain regularity assumptions, we show that our algorithm enjoys the same cumulative regret bound as that in the unconstrained case and similar cumulative constraint violation upper bounds. For commonly used Matern and Squared Exponential kernels, our bounds are sublinear and allow us to derive a convergence rate to the optimal solution of the original constrained problem. In addition, our method naturally provides a scheme to declare infeasibility when the original black-box optimization problem is infeasible. Numerical experiments on sampled instances from the Gaussian process, artificial numerical problems, and a black-box building controller tuning problem all demonstrate the competitive performance of our algorithm. Compared to the other state-of-the-art methods, our algorithm significantly improves the theoretical guarantees, while achieving competitive empirical performance.

Large Language Models (LLMs) have demonstrated remarkable success across various domains, yet their optimization remains a significant challenge due to the complex and high-dimensional loss landscapes they inhabit. While adaptive optimizers such as AdamW are widely used, they suffer from critical limitations, including an inability to capture interdependencies between coordinates and high memory consumption. Subsequent research, exemplified by SOAP, attempts to better capture coordinate interdependence but incurs greater memory overhead, limiting scalability for massive LLMs. An alternative approach aims to reduce memory consumption through low-dimensional projection, but this leads to substantial approximation errors, resulting in less effective optimization (e.g., in terms of per-token efficiency). In this paper, we propose COSMOS, a novel hybrid optimizer that leverages the varying importance of eigensubspaces in the gradient matrix to achieve memory efficiency without compromising optimization performance. The design of COSMOS is motivated by our empirical insights and practical considerations. Specifically, COSMOS applies SOAP to the leading eigensubspace, which captures the primary optimization dynamics, and MUON to the remaining eigensubspace, which is less critical but computationally expensive to handle with SOAP. This hybrid strategy significantly reduces memory consumption while maintaining robust optimization performance, making it particularly suitable for massive LLMs. Numerical experiments on various datasets and transformer architectures are provided to demonstrate the effectiveness of COSMOS. Our code is available at https://github.com/lliu606/COSMOS.

We present a method to formulate algorithm discovery as program search, and apply it to discover optimization algorithms for deep neural network training. We leverage efficient search techniques to explore an infinite and sparse program space. To bridge the large generalization gap between proxy and target tasks, we also introduce program selection and simplification strategies. Our method discovers a simple and effective optimization algorithm, Lion (Evo\textbf{Lved Sign Momentum}). It is more memory-efficient than Adam as it only keeps track of the momentum. Different from adaptive optimizers, its update has the same magnitude for each parameter calculated through the sign operation. We compare Lion with widely used optimizers, such as Adam and Adafactor, for training a variety of models on different tasks. On image classification, Lion boosts the accuracy of ViT by up to 2% on ImageNet and saves up to 5x the pre-training compute on JFT. On vision-language contrastive learning, we achieve 88.3% zero-shot and 91.1% fine-tuning accuracy on ImageNet, surpassing the previous best results by 2% and 0.1%, respectively. On diffusion models, Lion outperforms Adam by achieving a better FID score and reducing the training compute by up to 2.3x. For autoregressive, masked language modeling, and fine-tuning, Lion exhibits a similar or better performance compared to Adam. Our analysis of Lion reveals that its performance gain grows with the training batch size. It also requires a smaller learning rate than Adam due to the larger norm of the update produced by the sign function. Additionally, we examine the limitations of Lion and identify scenarios where its improvements are small or not statistically significant. The implementation of Lion is publicly available.

Dynamic shape computations have become critical in modern machine learning workloads, especially in emerging large language models. The success of these models has driven demand for deploying them to a diverse set of backend environments. In this paper, we present Relax, a compiler abstraction for optimizing end-to-end dynamic machine learning workloads. Relax introduces first-class symbolic shape annotations to track dynamic shape computations globally across the program. It also introduces a cross-level abstraction that encapsulates computational graphs, loop-level tensor programs, and library calls in a single representation to enable cross-level optimizations. We build an end-to-end compilation framework using the proposed approach to optimize dynamic shape models. Experimental results on large language models show that Relax delivers performance competitive with state-of-the-art hand-optimized systems across platforms and enables deployment of emerging dynamic models to a broader set of environments, including mobile phones, embedded devices, and web browsers.

Although LLM-based agents have attracted significant attention in domains such as software engineering and machine learning research, their role in advancing combinatorial optimization (CO) remains relatively underexplored. This gap underscores the need for a deeper understanding of their potential in tackling structured, constraint-intensive problems-a pursuit currently limited by the absence of comprehensive benchmarks for systematic investigation. To address this, we introduce CO-Bench, a benchmark suite featuring 36 real-world CO problems drawn from a broad range of domains and complexity levels. CO-Bench includes structured problem formulations and curated data to support rigorous investigation of LLM agents. We evaluate multiple agent frameworks against established human-designed algorithms, revealing key strengths and limitations of current approaches and identifying promising directions for future research. CO-Bench is publicly available at https://github.com/sunnweiwei/CO-Bench.

Recent research explores optimization using large language models (LLMs) by either iteratively seeking next-step solutions from LLMs or directly prompting LLMs for an optimizer. However, these approaches exhibit inherent limitations, including low operational efficiency, high sensitivity to prompt design, and a lack of domain-specific knowledge. We introduce LLaMoCo, the first instruction-tuning framework designed to adapt LLMs for solving optimization problems in a code-to-code manner. Specifically, we establish a comprehensive instruction set containing well-described problem prompts and effective optimization codes. We then develop a novel two-phase learning strategy that incorporates a contrastive learning-based warm-up procedure before the instruction-tuning phase to enhance the convergence behavior during model fine-tuning. The experiment results demonstrate that a CodeGen (350M) model fine-tuned by our LLaMoCo achieves superior optimization performance compared to GPT-4 Turbo and the other competitors across both synthetic and realistic problem sets. The fine-tuned model and the usage instructions are available at https://anonymous.4open.science/r/LLaMoCo-722A.

Constraint Programming (CP) is a declarative programming paradigm that allows for modeling and solving combinatorial optimization problems, such as the Job-Shop Scheduling Problem (JSSP). While CP solvers manage to find optimal or near-optimal solutions for small instances, they do not scale well to large ones, i.e., they require long computation times or yield low-quality solutions. Therefore, real-world scheduling applications often resort to fast, handcrafted, priority-based dispatching heuristics to find a good initial solution and then refine it using optimization methods. This paper proposes a novel end-to-end approach to solving scheduling problems by means of CP and Reinforcement Learning (RL). In contrast to previous RL methods, tailored for a given problem by including procedural simulation algorithms, complex feature engineering, or handcrafted reward functions, our neural-network architecture and training algorithm merely require a generic CP encoding of some scheduling problem along with a set of small instances. Our approach leverages existing CP solvers to train an agent learning a Priority Dispatching Rule (PDR) that generalizes well to large instances, even from separate datasets. We evaluate our method on seven JSSP datasets from the literature, showing its ability to find higher-quality solutions for very large instances than obtained by static PDRs and by a CP solver within the same time limit.

In a compound AI system, components such as an LLM call, a retriever, a code interpreter, or tools are interconnected. The system's behavior is primarily driven by parameters such as instructions or tool definitions. Recent advancements enable end-to-end optimization of these parameters using an LLM. Notably, leveraging an LLM as an optimizer is particularly efficient because it avoids gradient computation and can generate complex code and instructions. This paper presents a survey of the principles and emerging trends in LLM-based optimization of compound AI systems. It covers archetypes of compound AI systems, approaches to LLM-based end-to-end optimization, and insights into future directions and broader impacts. Importantly, this survey uses concepts from program analysis to provide a unified view of how an LLM optimizer is prompted to optimize a compound AI system. The exhaustive list of paper is provided at https://github.com/linyuhongg/LLM-based-Optimization-of-Compound-AI-Systems.

Optimization can be found in many real-life applications. Designing an effective algorithm for a specific optimization problem typically requires a tedious amount of effort from human experts with domain knowledge and algorithm design skills. In this paper, we propose a novel approach called Algorithm Evolution using Large Language Model (AEL). It utilizes a large language model (LLM) to automatically generate optimization algorithms via an evolutionary framework. AEL does algorithm-level evolution without model training. Human effort and requirements for domain knowledge can be significantly reduced. We take constructive methods for the salesman traveling problem as a test example, we show that the constructive algorithm obtained by AEL outperforms simple hand-crafted and LLM-generated heuristics. Compared with other domain deep learning model-based algorithms, these methods exhibit excellent scalability across different problem sizes. AEL is also very different from previous attempts that utilize LLMs as search operators in algorithms.

We introduce RL4CO, an extensive reinforcement learning (RL) for combinatorial optimization (CO) benchmark. RL4CO employs state-of-the-art software libraries as well as best practices in implementation, such as modularity and configuration management, to be efficient and easily modifiable by researchers for adaptations of neural network architecture, environments, and algorithms. Contrary to the existing focus on specific tasks like the traveling salesman problem (TSP) for performance assessment, we underline the importance of scalability and generalization capabilities for diverse optimization tasks. We also systematically benchmark sample efficiency, zero-shot generalization, and adaptability to changes in data distributions of various models. Our experiments show that some recent state-of-the-art methods fall behind their predecessors when evaluated using these new metrics, suggesting the necessity for a more balanced view of the performance of neural CO solvers. We hope RL4CO will encourage the exploration of novel solutions to complex real-world tasks, allowing to compare with existing methods through a standardized interface that decouples the science from the software engineering. We make our library publicly available at https://github.com/kaist-silab/rl4co.

Finding the optimal Retrieval-Augmented Generation (RAG) configuration for a given use case can be complex and expensive. Motivated by this challenge, frameworks for RAG hyper-parameter optimization (HPO) have recently emerged, yet their effectiveness has not been rigorously benchmarked. To address this gap, we present a comprehensive study involving 5 HPO algorithms over 5 datasets from diverse domains, including a new one collected for this work on real-world product documentation. Our study explores the largest HPO search space considered to date, with two optimized evaluation metrics. Analysis of the results shows that RAG HPO can be done efficiently, either greedily or with iterative random search, and that it significantly boosts RAG performance for all datasets. For greedy HPO approaches, we show that optimizing models first is preferable to the prevalent practice of optimizing sequentially according to the RAG pipeline order.

Effective code optimization in compilers plays a central role in computer and software engineering. While compilers can be made to automatically search the optimization space without the need for user interventions, this is not a standard practice since the search is slow and cumbersome. Here we present CodeZero, an artificial intelligence agent trained extensively on large data to produce effective optimization strategies instantly for each program in a single trial of the agent. To overcome the huge range of possible test programs, we prepare a large dataset of training programs that emphasize quality, naturalness, and diversity. To tackle the vast space of possible optimizations, we adapt deep reinforcement learning to train the agent in a sample-efficient manner through interacting with a world model of the compiler environment. Evaluation on both benchmark suites and production-level code optimization problems demonstrates our agent's supercompiler performances and zero-shot generalization abilities, outperforming built-in optimization options designed by compiler experts. Our methodology kindles the great potential of artificial intelligence for engineering and paves the way for scaling machine learning techniques in the realm of code optimization.

As first-order optimization methods become the method of choice for solving large-scale optimization problems, optimization solvers based on first-order algorithms are being built. Such general-purpose solvers must robustly detect infeasible or misspecified problem instances, but the computational complexity of first-order methods for doing so has yet to be formally studied. In this work, we characterize the optimal accelerated rate of infeasibility detection. We show that the standard fixed-point iteration achieves a O(1/k^2) and O(1/k) rates, respectively, on the normalized iterates and the fixed-point residual converging to the infimal displacement vector, while the accelerated fixed-point iteration achieves O(1/k^2) and mathcal{O}(1/k^2) rates. We then provide a matching complexity lower bound to establish that Theta(1/k^2) is indeed the optimal accelerated rate.

Recent Meta-learning for Black-Box Optimization (MetaBBO) methods harness neural networks to meta-learn configurations of traditional black-box optimizers. Despite their success, they are inevitably restricted by the limitations of predefined hand-crafted optimizers. In this paper, we present Symbol, a novel framework that promotes the automated discovery of black-box optimizers through symbolic equation learning. Specifically, we propose a Symbolic Equation Generator (SEG) that allows closed-form optimization rules to be dynamically generated for specific tasks and optimization steps. Within Symbol, we then develop three distinct strategies based on reinforcement learning, so as to meta-learn the SEG efficiently. Extensive experiments reveal that the optimizers generated by Symbol not only surpass the state-of-the-art BBO and MetaBBO baselines, but also exhibit exceptional zero-shot generalization abilities across entirely unseen tasks with different problem dimensions, population sizes, and optimization horizons. Furthermore, we conduct in-depth analyses of our Symbol framework and the optimization rules that it generates, underscoring its desirable flexibility and interpretability.

Optimization problems over dynamic networks have been extensively studied and widely used in the past decades to formulate numerous real-world problems. However, (1) traditional optimization-based approaches do not scale to large networks, and (2) the design of good heuristics or approximation algorithms often requires significant manual trial-and-error. In this work, we argue that data-driven strategies can automate this process and learn efficient algorithms without compromising optimality. To do so, we present network control problems through the lens of reinforcement learning and propose a graph network-based framework to handle a broad class of problems. Instead of naively computing actions over high-dimensional graph elements, e.g., edges, we propose a bi-level formulation where we (1) specify a desired next state via RL, and (2) solve a convex program to best achieve it, leading to drastically improved scalability and performance. We further highlight a collection of desirable features to system designers, investigate design decisions, and present experiments on real-world control problems showing the utility, scalability, and flexibility of our framework.

We introduce two complementary techniques for efficient adaptive optimization that reduce memory requirements while accelerating training of large-scale neural networks. The first technique, Subset-Norm adaptive step size, generalizes AdaGrad-Norm and AdaGrad(-Coordinate) by reducing the second moment term's memory footprint from O(d) to O(d) through step-size sharing, where d is the model size. For non-convex smooth objectives under coordinate-wise sub-gaussian gradient noise, we prove a noise-adapted high-probability convergence guarantee showing improved dimensional dependence over existing methods. Our second technique, Subspace-Momentum, reduces the momentum state's memory footprint by operating in a low-dimensional subspace while applying standard SGD in the orthogonal complement. We establish high-probability convergence rates under similar relaxed assumptions. Empirical evaluation on LLaMA models from 60M to 1B parameters demonstrates the effectiveness of our methods, where combining subset-norm with subspace-momentum achieves Adam's validation perplexity in approximately half the training tokens (6.8B vs 13.1B) while using only 20% of the Adam's optimizer-states memory footprint and requiring minimal additional hyperparameter tuning.

Large Language Models (LLMs) generate functionally correct solutions but often fall short in code efficiency, a critical bottleneck for real-world deployment. In this paper, we introduce a novel test-time iterative optimization framework to address this, employing a closed-loop system where LLMs iteratively refine code based on empirical performance feedback from an execution sandbox. We explore three training strategies: Supervised Fine-Tuning (SFT), Direct Preference Optimization (DPO), and Group Relative Policy Optimization~(GRPO). Experiments on our Venus dataset and the APPS benchmark show that SFT and DPO rapidly saturate in efficiency gains. In contrast, GRPO, using reinforcement learning (RL) with execution feedback, continuously optimizes code performance, significantly boosting both pass@1 (from 47% to 62%) and the likelihood of outperforming human submissions in efficiency (from 31% to 45%). Our work demonstrates effective test-time code efficiency improvement and critically reveals the power of RL in teaching LLMs to truly self-improve code efficiency.

Designing neural networks typically relies on manual trial and error or a neural architecture search (NAS) followed by weight training. The former is time-consuming and labor-intensive, while the latter often discretizes architecture search and weight optimization. In this paper, we propose a fundamentally different approach that simultaneously optimizes both the architecture and the weights of a neural network. Our framework first trains a universal multi-scale autoencoder that embeds both architectural and parametric information into a continuous latent space, where functionally similar neural networks are mapped closer together. Given a dataset, we then randomly initialize a point in the embedding space and update it via gradient descent to obtain the optimal neural network, jointly optimizing its structure and weights. The optimization process incorporates sparsity and compactness penalties to promote efficient models. Experiments on synthetic regression tasks demonstrate that our method effectively discovers sparse and compact neural networks with strong performance.

Heuristic design with large language models (LLMs) has emerged as a promising approach for tackling combinatorial optimization problems (COPs). However, existing approaches often rely on manually predefined evolutionary computation (EC) optimizers and single-task training schemes, which may constrain the exploration of diverse heuristic algorithms and hinder the generalization of the resulting heuristics. To address these issues, we propose Meta-Optimization of Heuristics (MoH), a novel framework that operates at the optimizer level, discovering effective optimizers through the principle of meta-learning. Specifically, MoH leverages LLMs to iteratively refine a meta-optimizer that autonomously constructs diverse optimizers through (self-)invocation, thereby eliminating the reliance on a predefined EC optimizer. These constructed optimizers subsequently evolve heuristics for downstream tasks, enabling broader heuristic exploration. Moreover, MoH employs a multi-task training scheme to promote its generalization capability. Experiments on classic COPs demonstrate that MoH constructs an effective and interpretable meta-optimizer, achieving state-of-the-art performance across various downstream tasks, particularly in cross-size settings.

Automatic program repair seeks to generate correct code from buggy programs, with most approaches searching the correct program in a discrete, symbolic space of source code tokens. This symbolic search is fundamentally limited by its inability to directly reason about program behavior. We introduce Gradient-Based Program Repair (GBPR), a new paradigm that reframes program repair as continuous optimization in a differentiable numerical program space. Our core insight is to compile symbolic programs into differentiable numerical representations, enabling search in the numerical program space directly guided by program behavior. To evaluate GBPR, we present RaspBugs, a new benchmark of 1,466 buggy symbolic RASP programs and their respective numerical representations. Our experiments demonstrate that GBPR can effectively repair buggy symbolic programs by gradient-based optimization in the numerical program space, with convincing repair trajectories. To our knowledge, we are the first to state program repair as continuous optimization in a numerical program space. Our work establishes a new direction for program repair research, bridging two rich worlds: continuous optimization and program behavior.

Finding the optimal pass sequence of compilation can lead to a significant reduction in program size and/or improvement in program efficiency. Prior works on compilation pass ordering have two major drawbacks. They either require an excessive budget (in terms of compilation steps) at compile time or fail to generalize to unseen programs. In this paper, for code-size reduction tasks, we propose a novel pipeline to find program-dependent pass sequences within 45 compilation calls. It first identifies a coreset of 50 pass sequences via greedy optimization of a submodular function, and then learns a policy with Graph Neural Network (GNN) to pick the optimal sequence by predicting the normalized values of the pass sequences in the coreset. Despite its simplicity, our pipeline outperforms the default -Oz flag by an average of 4.7% over a large collection (4683) of unseen code repositories from diverse domains across 14 datasets. In comparison, previous approaches like reinforcement learning on the raw pass sequence space may take days to train due to sparse reward, and may not generalize well in held-out ones from different domains. Our results demonstrate that existing human-designed compiler flags can be improved with a simple yet effective technique that transforms the raw action space into a small one with denser rewards.

We propose a new variant of the Adam optimizer [Kingma and Ba, 2014] called MICROADAM that specifically minimizes memory overheads, while maintaining theoretical convergence guarantees. We achieve this by compressing the gradient information before it is fed into the optimizer state, thereby reducing its memory footprint significantly. We control the resulting compression error via a novel instance of the classical error feedback mechanism from distributed optimization [Seide et al., 2014, Alistarh et al., 2018, Karimireddy et al., 2019] in which the error correction information is itself compressed to allow for practical memory gains. We prove that the resulting approach maintains theoretical convergence guarantees competitive to those of AMSGrad, while providing good practical performance. Specifically, we show that MICROADAM can be implemented efficiently on GPUs: on both million-scale (BERT) and billion-scale (LLaMA) models, MicroAdam provides practical convergence competitive to that of the uncompressed Adam baseline, with lower memory usage and similar running time. Our code is available at https://github.com/IST-DASLab/MicroAdam.

The Mixture of Experts architecture allows for outrageously large neural networks by scaling model parameter size independently from computational demand (FLOPs). However, current DNN frameworks cannot effectively support the dynamic data flow in Mixture of Experts, and implementations on top of these frameworks need to use workarounds that introduce significant overheads. To address the limitation of these frameworks, we present DynaMoE, a DNN library that uses dynamic recompilations to optimize and adapt the use of computational resources to the dynamic needs of Mixture of Experts models. Our evaluation shows that DynaMoE achieves a 1.8x speedup and supports 2.3x larger model sizes when compared to existing MoE systems, even when not using recompilations. We then present further optimizations enabled by dynamic recompilations that yield an additional 1.7x speedup while simultaneously reducing memory pressure and improving model quality.

Compiler architects increasingly look to machine learning when building heuristics for compiler optimization. The promise of automatic heuristic design, freeing the compiler engineer from the complex interactions of program, architecture, and other optimizations, is alluring. However, most machine learning methods cannot replicate even the simplest of the abstract interpretations of data flow analysis that are critical to making good optimization decisions. This must change for machine learning to become the dominant technology in compiler heuristics. To this end, we propose ProGraML - Program Graphs for Machine Learning - a language-independent, portable representation of whole-program semantics for deep learning. To benchmark current and future learning techniques for compiler analyses we introduce an open dataset of 461k Intermediate Representation (IR) files for LLVM, covering five source programming languages, and 15.4M corresponding data flow results. We formulate data flow analysis as an MPNN and show that, using ProGraML, standard analyses can be learned, yielding improved performance on downstream compiler optimization tasks.

This monograph presents the main complexity theorems in convex optimization and their corresponding algorithms. Starting from the fundamental theory of black-box optimization, the material progresses towards recent advances in structural optimization and stochastic optimization. Our presentation of black-box optimization, strongly influenced by Nesterov's seminal book and Nemirovski's lecture notes, includes the analysis of cutting plane methods, as well as (accelerated) gradient descent schemes. We also pay special attention to non-Euclidean settings (relevant algorithms include Frank-Wolfe, mirror descent, and dual averaging) and discuss their relevance in machine learning. We provide a gentle introduction to structural optimization with FISTA (to optimize a sum of a smooth and a simple non-smooth term), saddle-point mirror prox (Nemirovski's alternative to Nesterov's smoothing), and a concise description of interior point methods. In stochastic optimization we discuss stochastic gradient descent, mini-batches, random coordinate descent, and sublinear algorithms. We also briefly touch upon convex relaxation of combinatorial problems and the use of randomness to round solutions, as well as random walks based methods.

We introduce a novel paradigm in compiler optimization powered by Large Language Models with compiler feedback to optimize the code size of LLVM assembly. The model takes unoptimized LLVM IR as input and produces optimized IR, the best optimization passes, and instruction counts of both unoptimized and optimized IRs. Then we compile the input with generated optimization passes and evaluate if the predicted instruction count is correct, generated IR is compilable, and corresponds to compiled code. We provide this feedback back to LLM and give it another chance to optimize code. This approach adds an extra 0.53% improvement over -Oz to the original model. Even though, adding more information with feedback seems intuitive, simple sampling techniques achieve much higher performance given 10 or more samples.

First-order optimization (FOO) algorithms are pivotal in numerous computational domains such as machine learning and signal denoising. However, their application to complex tasks like neural network training often entails significant inefficiencies due to the need for many sequential iterations for convergence. In response, we introduce first-order optimization expedited with approximately parallelized iterations (OptEx), the first framework that enhances the efficiency of FOO by leveraging parallel computing to mitigate its iterative bottleneck. OptEx employs kernelized gradient estimation to make use of gradient history for future gradient prediction, enabling parallelization of iterations -- a strategy once considered impractical because of the inherent iterative dependency in FOO. We provide theoretical guarantees for the reliability of our kernelized gradient estimation and the iteration complexity of SGD-based OptEx, confirming that estimation errors diminish to zero as historical gradients accumulate and that SGD-based OptEx enjoys an effective acceleration rate of Omega(N) over standard SGD given parallelism of N. We also use extensive empirical studies, including synthetic functions, reinforcement learning tasks, and neural network training across various datasets, to underscore the substantial efficiency improvements achieved by OptEx.

Generative artificial intelligence (AI) technology is revolutionizing the computing industry. Not only its applications have broadened to various sectors but also poses new system design and optimization opportunities. The technology is capable of understanding and responding in multiple modalities. However, the advanced capability currently comes with significant system resource demands. To sustainably scale generative AI capabilities to billions of users in the world, inference must be fast and efficient. This paper pinpoints key system design and optimization opportunities by characterizing a family of emerging multi-modal generation models on real systems. Auto-regressive token generation is a critical latency performance bottleneck, typically dominated by GPU idle time. In addition to memory-intensive attention across the generative AI models, linear operations constitute significant inference latency due to the feed forward networks in Transformer-based models. We demonstrate that state-of-the-art optimization levers, spanning from applications to system software and hardware, set a 3.88x better baseline.

Microprocessor architects are increasingly resorting to domain-specific customization in the quest for high-performance and energy-efficiency. As the systems grow in complexity, fine-tuning architectural parameters across multiple sub-systems (e.g., datapath, memory blocks in different hierarchies, interconnects, compiler optimization, etc.) quickly results in a combinatorial explosion of design space. This makes domain-specific customization an extremely challenging task. Prior work explores using reinforcement learning (RL) and other optimization methods to automatically explore the large design space. However, these methods have traditionally relied on single-agent RL/ML formulations. It is unclear how scalable single-agent formulations are as we increase the complexity of the design space (e.g., full stack System-on-Chip design). Therefore, we propose an alternative formulation that leverages Multi-Agent RL (MARL) to tackle this problem. The key idea behind using MARL is an observation that parameters across different sub-systems are more or less independent, thus allowing a decentralized role assigned to each agent. We test this hypothesis by designing domain-specific DRAM memory controller for several workload traces. Our evaluation shows that the MARL formulation consistently outperforms single-agent RL baselines such as Proximal Policy Optimization and Soft Actor-Critic over different target objectives such as low power and latency. To this end, this work opens the pathway for new and promising research in MARL solutions for hardware architecture search.

The recent emergence of new algorithms for permuting models into functionally equivalent regions of the solution space has shed some light on the complexity of error surfaces, and some promising properties like mode connectivity. However, finding the right permutation is challenging, and current optimization techniques are not differentiable, which makes it difficult to integrate into a gradient-based optimization, and often leads to sub-optimal solutions. In this paper, we propose a Sinkhorn re-basin network with the ability to obtain the transportation plan that better suits a given objective. Unlike the current state-of-art, our method is differentiable and, therefore, easy to adapt to any task within the deep learning domain. Furthermore, we show the advantage of our re-basin method by proposing a new cost function that allows performing incremental learning by exploiting the linear mode connectivity property. The benefit of our method is compared against similar approaches from the literature, under several conditions for both optimal transport finding and linear mode connectivity. The effectiveness of our continual learning method based on re-basin is also shown for several common benchmark datasets, providing experimental results that are competitive with state-of-art results from the literature.

We present a feasibility-seeking approach to neural network training. This mathematical optimization framework is distinct from conventional gradient-based loss minimization and uses projection operators and iterative projection algorithms. We reformulate training as a large-scale feasibility problem: finding network parameters and states that satisfy local constraints derived from its elementary operations. Training then involves projecting onto these constraints, a local operation that can be parallelized across the network. We introduce PJAX, a JAX-based software framework that enables this paradigm. PJAX composes projection operators for elementary operations, automatically deriving the solution operators for the feasibility problems (akin to autodiff for derivatives). It inherently supports GPU/TPU acceleration, provides a familiar NumPy-like API, and is extensible. We train diverse architectures (MLPs, CNNs, RNNs) on standard benchmarks using PJAX, demonstrating its functionality and generality. Our results show that this approach is as a compelling alternative to gradient-based training, with clear advantages in parallelism and the ability to handle non-differentiable operations.

We study a class of optimization problems motivated by automating the design and update of AI systems like coding assistants, robots, and copilots. We propose an end-to-end optimization framework, Trace, which treats the computational workflow of an AI system as a graph akin to neural networks, based on a generalization of back-propagation. Optimization of computational workflows often involves rich feedback (e.g. console output or user's responses), heterogeneous parameters (e.g. prompts, hyper-parameters, codes), and intricate objectives (beyond maximizing a score). Moreover, its computation graph can change dynamically with the inputs and parameters. We frame a new mathematical setup of iterative optimization, Optimization with Trace Oracle (OPTO), to capture and abstract these properties so as to design optimizers that work across many domains. In OPTO, an optimizer receives an execution trace along with feedback on the computed output and updates parameters iteratively. Trace is the tool to implement OPTO in practice. Trace has a Python interface that efficiently converts a computational workflow into an OPTO instance using a PyTorch-like interface. Using Trace, we develop a general-purpose LLM-based optimizer called OptoPrime that can effectively solve OPTO problems. In empirical studies, we find that OptoPrime is capable of first-order numerical optimization, prompt optimization, hyper-parameter tuning, robot controller design, code debugging, etc., and is often competitive with specialized optimizers for each domain. We believe that Trace, OptoPrime and the OPTO framework will enable the next generation of interactive agents that automatically adapt using various kinds of feedback. Website: https://microsoft.github.io/Trace

Albeit being a prevalent architecture searching approach, differentiable architecture search (DARTS) is largely hindered by its substantial memory cost since the entire supernet resides in the memory. This is where the single-path DARTS comes in, which only chooses a single-path submodel at each step. While being memory-friendly, it also comes with low computational costs. Nonetheless, we discover a critical issue of single-path DARTS that has not been primarily noticed. Namely, it also suffers from severe performance collapse since too many parameter-free operations like skip connections are derived, just like DARTS does. In this paper, we propose a new algorithm called RObustifying Memory-Efficient NAS (ROME) to give a cure. First, we disentangle the topology search from the operation search to make searching and evaluation consistent. We then adopt Gumbel-Top2 reparameterization and gradient accumulation to robustify the unwieldy bi-level optimization. We verify ROME extensively across 15 benchmarks to demonstrate its effectiveness and robustness.

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the underlying function dynamics. However, the ability of Bayesian optimization to incorporate prior knowledge or beliefs about the function at hand in order to accelerate the optimization is limited, which reduces its appeal for knowledgeable practitioners with tight budgets. To allow domain experts to customize the optimization routine, we propose ColaBO, the first Bayesian-principled framework for incorporating prior beliefs beyond the typical kernel structure, such as the likely location of the optimizer or the optimal value. The generality of ColaBO makes it applicable across different Monte Carlo acquisition functions and types of user beliefs. We empirically demonstrate ColaBO's ability to substantially accelerate optimization when the prior information is accurate, and to retain approximately default performance when it is misleading.

Hyperparameter tuning of deep learning models can lead to order-of-magnitude performance gains for the same amount of compute. Despite this, systematic tuning is uncommon, particularly for large models, which are expensive to evaluate and tend to have many hyperparameters, necessitating difficult judgment calls about tradeoffs, budgets, and search bounds. To address these issues and propose a practical method for robustly tuning large models, we present Cost-Aware Pareto Region Bayesian Search (CARBS), a Bayesian optimization algorithm that performs local search around the performance-cost Pareto frontier. CARBS does well even in unbounded search spaces with many hyperparameters, learns scaling relationships so that it can tune models even as they are scaled up, and automates much of the "black magic" of tuning. Among our results, we effectively solve the entire ProcGen benchmark just by tuning a simple baseline (PPO, as provided in the original ProcGen paper). We also reproduce the model size vs. training tokens scaling result from the Chinchilla project (Hoffmann et al. 2022), while simultaneously discovering scaling laws for every other hyperparameter, via an easy automated process that uses significantly less compute and is applicable to any deep learning problem (not just language models).

We propose an algorithm for inexpensive gradient-based hyperparameter optimization that combines the implicit function theorem (IFT) with efficient inverse Hessian approximations. We present results about the relationship between the IFT and differentiating through optimization, motivating our algorithm. We use the proposed approach to train modern network architectures with millions of weights and millions of hyper-parameters. For example, we learn a data-augmentation network - where every weight is a hyperparameter tuned for validation performance - outputting augmented training examples. Jointly tuning weights and hyperparameters with our approach is only a few times more costly in memory and compute than standard training.

Recent advances in Neural Architecture Search (NAS) such as one-shot NAS offer the ability to extract specialized hardware-aware sub-network configurations from a task-specific super-network. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still under-explored. Popular methods decouple the super-network training from the sub-network search and use performance predictors to reduce the computational burden of searching on different hardware platforms. We propose a flexible search framework that automatically and efficiently finds optimal sub-networks that are optimized for different performance metrics and hardware configurations. Specifically, we show how evolutionary algorithms can be paired with lightly trained objective predictors in an iterative cycle to accelerate architecture search in a multi-objective setting for various modalities including machine translation and image classification.

Code optimization is a daunting task that requires a significant level of expertise from experienced programmers. This level of expertise is not sufficient when compared to the rapid development of new hardware architectures. Towards advancing the whole code optimization process, recent approaches rely on machine learning and artificial intelligence techniques. This paper introduces a new framework to decrease the complexity of code optimization. The proposed framework builds on large language models (LLMs) and reinforcement learning (RL) and enables LLMs to receive feedback from their environment (i.e., unit tests) during the fine-tuning process. We compare our framework with existing state-of-the-art models and show that it is more efficient with respect to speed and computational usage, as a result of the decrement in training steps and its applicability to models with fewer parameters. Additionally, our framework reduces the possibility of logical and syntactical errors. Toward evaluating our approach, we run several experiments on the PIE dataset using a CodeT5 language model and RRHF, a new reinforcement learning algorithm. We adopt a variety of evaluation metrics with regards to optimization quality, and speedup. The evaluation results demonstrate that the proposed framework has similar results in comparison with existing models using shorter training times and smaller pre-trained models. In particular, we accomplish an increase of 5.6% and 2.2 over the baseline models concerning the %OP T and SP metrics.

We present a novel adaptive optimization algorithm for large-scale machine learning problems. Equipped with a low-cost estimate of local curvature and Lipschitz smoothness, our method dynamically adapts the search direction and step-size. The search direction contains gradient information preconditioned by a well-scaled diagonal preconditioning matrix that captures the local curvature information. Our methodology does not require the tedious task of learning rate tuning, as the learning rate is updated automatically without adding an extra hyperparameter. We provide convergence guarantees on a comprehensive collection of optimization problems, including convex, strongly convex, and nonconvex problems, in both deterministic and stochastic regimes. We also conduct an extensive empirical evaluation on standard machine learning problems, justifying our algorithm's versatility and demonstrating its strong performance compared to other start-of-the-art first-order and second-order methods.

Combinatorial optimization (CO) problems are often NP-hard and thus out of reach for exact algorithms, making them a tempting domain to apply machine learning methods. The highly structured constraints in these problems can hinder either optimization or sampling directly in the solution space. On the other hand, GFlowNets have recently emerged as a powerful machinery to efficiently sample from composite unnormalized densities sequentially and have the potential to amortize such solution-searching processes in CO, as well as generate diverse solution candidates. In this paper, we design Markov decision processes (MDPs) for different combinatorial problems and propose to train conditional GFlowNets to sample from the solution space. Efficient training techniques are also developed to benefit long-range credit assignment. Through extensive experiments on a variety of different CO tasks with synthetic and realistic data, we demonstrate that GFlowNet policies can efficiently find high-quality solutions.

Bayesian Optimization (BO) is typically used to optimize an unknown function f that is noisy and costly to evaluate, by exploiting an acquisition function that must be maximized at each optimization step. Even if provably asymptotically optimal BO algorithms are efficient at optimizing low-dimensional functions, scaling them to high-dimensional spaces remains an open problem, often tackled by assuming an additive structure for f. By doing so, BO algorithms typically introduce additional restrictive assumptions on the additive structure that reduce their applicability domain. This paper contains two main contributions: (i) we relax the restrictive assumptions on the additive structure of f without weakening the maximization guarantees of the acquisition function, and (ii) we address the over-exploration problem for decentralized BO algorithms. To these ends, we propose DuMBO, an asymptotically optimal decentralized BO algorithm that achieves very competitive performance against state-of-the-art BO algorithms, especially when the additive structure of f comprises high-dimensional factors.

Expert parallelism has been introduced as a strategy to distribute the computational workload of sparsely-gated mixture-of-experts (MoE) models across multiple computing devices, facilitating the execution of these increasingly large-scale models. However, the All-to-All communication intrinsic to expert parallelism constitutes a significant overhead, diminishing the MoE models' efficiency. Current optimization approaches offer some relief, yet they are constrained by the sequential interdependence of communication and computation operations. To address this limitation, we present a novel shortcut-connected MoE architecture with overlapping parallel strategy, designated as ScMoE, which effectively decouples communication from its conventional sequence, allowing for a substantial overlap of 70% to 100% with computation. When compared with the prevalent top-2 MoE architecture, ScMoE demonstrates training speed improvements of 30% and 11%, and inference improvements of 40% and 15%, in our PCIe and NVLink hardware environments, respectively, where communication constitutes 60% and 15% of the total MoE time consumption. On the other hand, extensive experiments and theoretical analyses indicate that ScMoE not only achieves comparable but in some instances surpasses the model quality of existing approaches in vision and language tasks.

Bayesian optimization (BO) is a powerful approach for optimizing complex and expensive-to-evaluate black-box functions. Its importance is underscored in many applications, notably including hyperparameter tuning, but its efficacy depends on efficiently balancing exploration and exploitation. While there has been substantial progress in BO methods, striking this balance remains a delicate process. In this light, we present LLAMBO, a novel approach that integrates the capabilities of Large Language Models (LLM) within BO. At a high level, we frame the BO problem in natural language, enabling LLMs to iteratively propose and evaluate promising solutions conditioned on historical evaluations. More specifically, we explore how combining contextual understanding, few-shot learning proficiency, and domain knowledge of LLMs can improve model-based BO. Our findings illustrate that LLAMBO is effective at zero-shot warmstarting, and enhances surrogate modeling and candidate sampling, especially in the early stages of search when observations are sparse. Our approach is performed in context and does not require LLM finetuning. Additionally, it is modular by design, allowing individual components to be integrated into existing BO frameworks, or function cohesively as an end-to-end method. We empirically validate LLAMBO's efficacy on the problem of hyperparameter tuning, highlighting strong empirical performance across a range of diverse benchmarks, proprietary, and synthetic tasks.

Effective instruction tuning is indispensable for optimizing code LLMs, aligning model behavior with user expectations and enhancing model performance in real-world applications. However, most existing methods focus on code snippets, which are limited to specific functionalities and rigid structures, restricting the complexity and diversity of the synthesized data. To address these limitations, we introduce a novel feature tree-based synthesis framework inspired by Abstract Syntax Trees (AST). Unlike AST, which captures syntactic structure of code, our framework models semantic relationships between code elements, enabling the generation of more nuanced and diverse data. The feature tree is constructed from raw data and refined iteratively to increase the quantity and diversity of the extracted features. This process enables the identification of more complex patterns and relationships within the code. By sampling subtrees with controlled depth and breadth, our framework allows precise adjustments to the complexity of the generated code, supporting a wide range of tasks from simple function-level operations to intricate multi-file scenarios. We fine-tuned widely-used base models to create the EpiCoder series, achieving state-of-the-art performance at both the function and file levels across multiple benchmarks. Notably, empirical evidence indicates that our approach shows significant potential in synthesizing highly complex repository-level code data. Further analysis elucidates the merits of this approach by rigorously assessing data complexity and diversity through software engineering principles and LLM-as-a-judge method.

When considering a model architecture, there are several ways to reduce its memory footprint. Historically, popular approaches included selecting smaller architectures and creating sparse networks through pruning. More recently, randomized parameter-sharing (RPS) methods have gained traction for model compression at start of training. In this paper, we comprehensively assess the trade-off between memory and accuracy across RPS, pruning techniques, and building smaller models. Our findings demonstrate that RPS, which is both data and model-agnostic, consistently outperforms/matches smaller models and all moderately informed pruning strategies, such as MAG, SNIP, SYNFLOW, and GRASP, across the entire compression range. This advantage becomes particularly pronounced in higher compression scenarios. Notably, even when compared to highly informed pruning techniques like Lottery Ticket Rewinding (LTR), RPS exhibits superior performance in high compression settings. This points out inherent capacity advantage that RPS enjoys over sparse models. Theoretically, we establish RPS as a superior technique in terms of memory-efficient representation when compared to pruning for linear models. This paper argues in favor of paradigm shift towards RPS based models. During our rigorous evaluation of RPS, we identified issues in the state-of-the-art RPS technique ROAST, specifically regarding stability (ROAST's sensitivity to initialization hyperparameters, often leading to divergence) and Pareto-continuity (ROAST's inability to recover the accuracy of the original model at zero compression). We provably address both of these issues. We refer to the modified RPS, which incorporates our improvements, as STABLE-RPS.

The performance of an algorithm often critically depends on its parameter configuration. While a variety of automated algorithm configuration methods have been proposed to relieve users from the tedious and error-prone task of manually tuning parameters, there is still a lot of untapped potential as the learned configuration is static, i.e., parameter settings remain fixed throughout the run. However, it has been shown that some algorithm parameters are best adjusted dynamically during execution, e.g., to adapt to the current part of the optimization landscape. Thus far, this is most commonly achieved through hand-crafted heuristics. A promising recent alternative is to automatically learn such dynamic parameter adaptation policies from data. In this article, we give the first comprehensive account of this new field of automated dynamic algorithm configuration (DAC), present a series of recent advances, and provide a solid foundation for future research in this field. Specifically, we (i) situate DAC in the broader historical context of AI research; (ii) formalize DAC as a computational problem; (iii) identify the methods used in prior-art to tackle this problem; (iv) conduct empirical case studies for using DAC in evolutionary optimization, AI planning, and machine learning.

In recent years, a variety of gradient-based first-order methods have been developed to solve bi-level optimization problems for learning applications. However, theoretical guarantees of these existing approaches heavily rely on the simplification that for each fixed upper-level variable, the lower-level solution must be a singleton (a.k.a., Lower-Level Singleton, LLS). In this work, we first design a counter-example to illustrate the invalidation of such LLS condition. Then by formulating BLPs from the view point of optimistic bi-level and aggregating hierarchical objective information, we establish Bi-level Descent Aggregation (BDA), a flexible and modularized algorithmic framework for generic bi-level optimization. Theoretically, we derive a new methodology to prove the convergence of BDA without the LLS condition. Our investigations also demonstrate that BDA is indeed compatible to a verify of particular first-order computation modules. Additionally, as an interesting byproduct, we also improve these conventional first-order bi-level schemes (under the LLS simplification). Particularly, we establish their convergences with weaker assumptions. Extensive experiments justify our theoretical results and demonstrate the superiority of the proposed BDA for different tasks, including hyper-parameter optimization and meta learning.

Learning decompositions of expensive-to-evaluate black-box functions promises to scale Bayesian optimisation (BO) to high-dimensional problems. However, the success of these techniques depends on finding proper decompositions that accurately represent the black-box. While previous works learn those decompositions based on data, we investigate data-independent decomposition sampling rules in this paper. We find that data-driven learners of decompositions can be easily misled towards local decompositions that do not hold globally across the search space. Then, we formally show that a random tree-based decomposition sampler exhibits favourable theoretical guarantees that effectively trade off maximal information gain and functional mismatch between the actual black-box and its surrogate as provided by the decomposition. Those results motivate the development of the random decomposition upper-confidence bound algorithm (RDUCB) that is straightforward to implement - (almost) plug-and-play - and, surprisingly, yields significant empirical gains compared to the previous state-of-the-art on a comprehensive set of benchmarks. We also confirm the plug-and-play nature of our modelling component by integrating our method with HEBO, showing improved practical gains in the highest dimensional tasks from Bayesmark.

The omnipresence of NP-hard combinatorial optimization problems (COPs) compels domain experts to engage in trial-and-error heuristic design. The long-standing endeavor of design automation has gained new momentum with the rise of large language models (LLMs). This paper introduces Language Hyper-Heuristics (LHHs), an emerging variant of Hyper-Heuristics that leverages LLMs for heuristic generation, featuring minimal manual intervention and open-ended heuristic spaces. To empower LHHs, we present Reflective Evolution (ReEvo), a novel integration of evolutionary search for efficiently exploring the heuristic space, and LLM reflections to provide verbal gradients within the space. Across five heterogeneous algorithmic types, six different COPs, and both white-box and black-box views of COPs, ReEvo yields state-of-the-art and competitive meta-heuristics, evolutionary algorithms, heuristics, and neural solvers, while being more sample-efficient than prior LHHs.

This work presents BAdam, an optimizer that leverages the block coordinate optimization framework with Adam as the inner solver. BAdam offers a memory efficient approach to the full parameter finetuning of large language models and reduces running time of the backward process thanks to the chain rule property. Experimentally, we apply BAdam to instruction-tune the Llama 2-7B model on the Alpaca-GPT4 dataset using a single RTX3090-24GB GPU. The results indicate that BAdam exhibits superior convergence behavior in comparison to LoRA and LOMO. Furthermore, our downstream performance evaluation of the instruction-tuned models using the MT-bench shows that BAdam modestly surpasses LoRA and more substantially outperforms LOMO. Finally, we compare BAdam with Adam on a medium-sized task, i.e., finetuning RoBERTa-large on the SuperGLUE benchmark. The results demonstrate that BAdam is capable of narrowing the performance gap with Adam. Our code is available at https://github.com/Ledzy/BAdam.

Code Language Models have been trained to generate accurate solutions, typically with no regard for runtime. On the other hand, previous works that explored execution optimisation have observed corresponding drops in functional correctness. To that end, we introduce Code-Optimise, a framework that incorporates both correctness (passed, failed) and runtime (quick, slow) as learning signals via self-generated preference data. Our framework is both lightweight and robust as it dynamically selects solutions to reduce overfitting while avoiding a reliance on larger models for learning signals. Code-Optimise achieves significant improvements in pass@k while decreasing the competitive baseline runtimes by an additional 6% for in-domain data and up to 3% for out-of-domain data. As a byproduct, the average length of the generated solutions is reduced by up to 48% on MBPP and 23% on HumanEval, resulting in faster and cheaper inference. The generated data and codebase will be open-sourced at www.open-source.link.

The performance of many machine learning models depends on their hyper-parameter settings. Bayesian Optimization has become a successful tool for hyper-parameter optimization of machine learning algorithms, which aims to identify optimal hyper-parameters during an iterative sequential process. However, most of the Bayesian Optimization algorithms are designed to select models for effectiveness only and ignore the important issue of model training efficiency. Given that both model effectiveness and training time are important for real-world applications, models selected for effectiveness may not meet the strict training time requirements necessary to deploy in a production environment. In this work, we present a unified Bayesian Optimization framework for jointly optimizing models for both prediction effectiveness and training efficiency. We propose an objective that captures the tradeoff between these two metrics and demonstrate how we can jointly optimize them in a principled Bayesian Optimization framework. Experiments on model selection for recommendation tasks indicate models selected this way significantly improves model training efficiency while maintaining strong effectiveness as compared to state-of-the-art Bayesian Optimization algorithms.

Many optimization problems are inherently multi-objective. To address them, we formalize Jacobian descent (JD), a direct generalization of gradient descent for vector-valued functions. Each step of this algorithm relies on a Jacobian matrix consisting of one gradient per objective. The aggregator, responsible for reducing this matrix into an update vector, characterizes JD. While the multi-task learning literature already contains a variety of aggregators, they often lack some natural properties. In particular, the update should not conflict with any objective and should scale proportionally to the norm of each gradient. We propose a new aggregator specifically designed to satisfy this. Emphasizing conflict between objectives, we then highlight direct applications for our methods. Most notably, we introduce instance-wise risk minimization (IWRM), a learning paradigm in which the loss of each training example is considered a separate objective. On simple image classification tasks, IWRM exhibits promising results compared to the direct minimization of the average loss. The performance of our aggregator in those experiments also corroborates our theoretical findings. Lastly, as speed is the main limitation of JD, we provide a path towards a more efficient implementation.

Automatic differentiation (autodiff) has revolutionized machine learning. It allows to express complex computations by composing elementary ones in creative ways and removes the burden of computing their derivatives by hand. More recently, differentiation of optimization problem solutions has attracted widespread attention with applications such as optimization layers, and in bi-level problems such as hyper-parameter optimization and meta-learning. However, so far, implicit differentiation remained difficult to use for practitioners, as it often required case-by-case tedious mathematical derivations and implementations. In this paper, we propose automatic implicit differentiation, an efficient and modular approach for implicit differentiation of optimization problems. In our approach, the user defines directly in Python a function F capturing the optimality conditions of the problem to be differentiated. Once this is done, we leverage autodiff of F and the implicit function theorem to automatically differentiate the optimization problem. Our approach thus combines the benefits of implicit differentiation and autodiff. It is efficient as it can be added on top of any state-of-the-art solver and modular as the optimality condition specification is decoupled from the implicit differentiation mechanism. We show that seemingly simple principles allow to recover many existing implicit differentiation methods and create new ones easily. We demonstrate the ease of formulating and solving bi-level optimization problems using our framework. We also showcase an application to the sensitivity analysis of molecular dynamics.

We consider the problem of global optimization with noisy zeroth order oracles - a well-motivated problem useful for various applications ranging from hyper-parameter tuning for deep learning to new material design. Existing work relies on Gaussian processes or other non-parametric family, which suffers from the curse of dimensionality. In this paper, we propose a new algorithm GO-UCB that leverages a parametric family of functions (e.g., neural networks) instead. Under a realizable assumption and a few other mild geometric conditions, we show that GO-UCB achieves a cumulative regret of O(T) where T is the time horizon. At the core of GO-UCB is a carefully designed uncertainty set over parameters based on gradients that allows optimistic exploration. Synthetic and real-world experiments illustrate GO-UCB works better than Bayesian optimization approaches in high dimensional cases, even if the model is misspecified.

Mixture-of-Experts (MoE) model architecture has emerged as a promising solution for scaling transformer models efficiently, offering sparse activation that reduces computational costs while increasing model capacity. However, as MoE models scale, they need to be distributed across GPU devices, thus face critical performance bottlenecks due to their large memory footprint. Expert parallelism distributes experts across GPUs, however, faces key challenges including an unbalanced token routing and expert activation, resulting in communication tail latency and processing inefficiencies. While existing solutions address some of these issues, they fail to resolve the dual challenges of load imbalance and communication skew. The imbalance in token processing load across experts causes uneven processing times on different GPUs, while communication skew between GPUs leads to unbalanced inter-GPU data transfers. These factors degrade the performance of MoE models by increasing tail latency and reducing overall throughput. To address these limitations, we propose an Integer Linear Programming (ILP) formulation to optimize expert placement by jointly considering token load, communication, and computation costs. We exploit the property that there is a token routing dependency across layers, where tokens routed to a specific expert in one layer are likely to be routed to a limited set of experts in the subsequent layer. Our solution, MoETuner, offers an optimal expert-to-GPU assignment that minimizes inter-GPU token routing costs and balances token processing across devices, thereby reducing tail latency and end-to-end execution time. Experimental results demonstrate 9.3% and 17.5% of end-to-end speedups for single-node and multi-node inference respectively, showcasing the potential of our ILP-based optimization for offering expert parallel solutions for next-generation MoEs.

Popular machine learning approaches forgo second-order information due to the difficulty of computing curvature in high dimensions. We present FOSI, a novel meta-algorithm that improves the performance of any base first-order optimizer by efficiently incorporating second-order information during the optimization process. In each iteration, FOSI implicitly splits the function into two quadratic functions defined on orthogonal subspaces, then uses a second-order method to minimize the first, and the base optimizer to minimize the other. We formally analyze FOSI's convergence and the conditions under which it improves a base optimizer. Our empirical evaluation demonstrates that FOSI improves the convergence rate and optimization time of first-order methods such as Heavy-Ball and Adam, and outperforms second-order methods (K-FAC and L-BFGS).

Integer Linear Programs (ILPs) are powerful tools for modeling and solving a large number of combinatorial optimization problems. Recently, it has been shown that Large Neighborhood Search (LNS), as a heuristic algorithm, can find high quality solutions to ILPs faster than Branch and Bound. However, how to find the right heuristics to maximize the performance of LNS remains an open problem. In this paper, we propose a novel approach, CL-LNS, that delivers state-of-the-art anytime performance on several ILP benchmarks measured by metrics including the primal gap, the primal integral, survival rates and the best performing rate. Specifically, CL-LNS collects positive and negative solution samples from an expert heuristic that is slow to compute and learns a new one with a contrastive loss. We use graph attention networks and a richer set of features to further improve its performance.

Language models (LMs) built upon deep neural networks (DNNs) have recently demonstrated breakthrough effectiveness in software engineering tasks such as code generation, completion, and repair. This has paved the way for the emergence of LM-based code optimization techniques, which are crucial for enhancing the performance of existing programs, such as accelerating program execution time. However, a comprehensive survey dedicated to this specific application has been lacking. To fill this gap, we present a systematic literature review of over 50 primary studies, identifying emerging trends and addressing 11 specialized questions. Our findings reveal five critical open challenges, such as balancing model complexity with practical usability, cross-language/performance generalizability, and building trust in AI-driven solutions. Furthermore, we provide eight future research directions to facilitate more efficient, robust, and reliable LM-based code optimization. Thereby, this study aims to provide actionable insights and foundational references for both researchers and practitioners in this rapidly evolving field.

Recent studies in using deep reinforcement learning (DRL) to solve Job-shop scheduling problems (JSSP) focus on construction heuristics. However, their performance is still far from optimality, mainly because the underlying graph representation scheme is unsuitable for modelling partial solutions at each construction step. This paper proposes a novel DRL-guided improvement heuristic for solving JSSP, where graph representation is employed to encode complete solutions. We design a Graph Neural-Network-based representation scheme, consisting of two modules to effectively capture the information of dynamic topology and different types of nodes in graphs encountered during the improvement process. To speed up solution evaluation during improvement, we present a novel message-passing mechanism that can evaluate multiple solutions simultaneously. We prove that the computational complexity of our method scales linearly with problem size. Experiments on classic benchmarks show that the improvement policy learned by our method outperforms state-of-the-art DRL-based methods by a large margin.

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.

Offline paired preference optimization algorithms have become a popular approach for fine-tuning on preference data, outperforming traditional supervised fine-tuning in various tasks. However, traditional implementations often involve redundant computations, especially for tasks with long shared prompts. We introduce prefix sharing for preference tuning, a novel technique that processes chosen and rejected responses as one sequence with a shared prefix. To prevent cross-response contamination, we use a custom block-sparse attention mask. Our method achieves 1.1-1.5times improvement in training throughput on popular DPO datasets, without any effect on convergence. When combined with sequence packing, we observe consistent 1.3-1.6times speedups, benefiting even datasets with smaller sequence lengths. While we focus on Direct Preference Optimization (DPO), our approach is applicable to other paired preference tuning methods. By enhancing computational efficiency, our work contributes to making preference-based fine-tuning more accessible for a wider range of applications and model sizes. We open-source our code at https://github.com/frankxwang/dpo-prefix-sharing.

This paper introduces Patched MOA (Mixture of Agents), an inference optimization technique that significantly enhances the performance of large language models (LLMs) across diverse software development tasks. We evaluate three inference optimization algorithms - Best of N, Mixture of Agents, and Monte Carlo Tree Search and demonstrate that Patched MOA can boost the performance of smaller models to surpass that of larger, more expensive models. Notably, our approach improves the gpt-4o-mini model's performance on the Arena-Hard-Auto benchmark by 15.52%, outperforming gpt-4-turbo at a fraction of the cost. We also apply Patched MOA to various software development workflows, showing consistent improvements in task completion rates. Our method is model-agnostic, transparent to end-users, and can be easily integrated into existing LLM pipelines. This work contributes to the growing field of LLM optimization, offering a cost-effective solution for enhancing model performance without the need for fine-tuning or larger models.

When trying to solve a computational problem, we are often faced with a choice between algorithms that are guaranteed to return the right answer but differ in their runtime distributions (e.g., SAT solvers, sorting algorithms). This paper aims to lay theoretical foundations for such choices by formalizing preferences over runtime distributions. It might seem that we should simply prefer the algorithm that minimizes expected runtime. However, such preferences would be driven by exactly how slow our algorithm is on bad inputs, whereas in practice we are typically willing to cut off occasional, sufficiently long runs before they finish. We propose a principled alternative, taking a utility-theoretic approach to characterize the scoring functions that describe preferences over algorithms. These functions depend on the way our value for solving our problem decreases with time and on the distribution from which captimes are drawn. We describe examples of realistic utility functions and show how to leverage a maximum-entropy approach for modeling underspecified captime distributions. Finally, we show how to efficiently estimate an algorithm's expected utility from runtime samples.

We rethink test-time scaling laws from a practical efficiency perspective, revealing that the effectiveness of smaller models is significantly overestimated. Prior work, grounded in compute-optimality, overlooks critical memory access bottlenecks introduced by inference-time strategies (e.g., Best-of-N, long CoTs). Our holistic analysis, spanning models from 0.6B to 32B parameters, reveals a new Kinetics Scaling Law that better guides resource allocation by incorporating both computation and memory access costs. Kinetics Scaling Law suggests that test-time compute is more effective when used on models above a threshold than smaller ones. A key reason is that in TTS, attention, rather than parameter count, emerges as the dominant cost factor. Motivated by this, we propose a new scaling paradigm centered on sparse attention, which lowers per-token cost and enables longer generations and more parallel samples within the same resource budget. Empirically, we show that sparse attention models consistently outperform dense counterparts, achieving over 60 points gains in low-cost regimes and over 5 points gains in high-cost regimes for problem-solving accuracy on AIME, encompassing evaluations on state-of-the-art MoEs. These results suggest that sparse attention is essential for realizing the full potential of test-time scaling because, unlike training, where parameter scaling saturates, test-time accuracy continues to improve through increased generation. The code is available at https://github.com/Infini-AI-Lab/Kinetics.

We introduce fast algorithms for correlation clustering with respect to the Min Max objective that provide constant factor approximations on complete graphs. Our algorithms are the first purely combinatorial approximation algorithms for this problem. We construct a novel semi-metric on the set of vertices, which we call the correlation metric, that indicates to our clustering algorithms whether pairs of nodes should be in the same cluster. The paper demonstrates empirically that, compared to prior work, our algorithms sacrifice little in the objective quality to obtain significantly better run-time. Moreover, our algorithms scale to larger networks that are effectively intractable for known algorithms.

Iterative improvement of model architectures is fundamental to deep learning: Transformers first enabled scaling, and recent advances in model hybridization have pushed the quality-efficiency frontier. However, optimizing architectures remains challenging and expensive. Current automated or manual approaches fall short, largely due to limited progress in the design of search spaces and due to the simplicity of resulting patterns and heuristics. In this work, we propose a new approach for the synthesis of tailored architectures (STAR). Our approach combines a novel search space based on the theory of linear input-varying systems, supporting a hierarchical numerical encoding into architecture genomes. STAR genomes are automatically refined and recombined with gradient-free, evolutionary algorithms to optimize for multiple model quality and efficiency metrics. Using STAR, we optimize large populations of new architectures, leveraging diverse computational units and interconnection patterns, improving over highly-optimized Transformers and striped hybrid models on the frontier of quality, parameter size, and inference cache for autoregressive language modeling.

The mixture of experts (MoE) model is a sparse variant of large language models (LLMs), designed to hold a better balance between intelligent capability and computational overhead. Despite its benefits, MoE is still too expensive to deploy on resource-constrained edge devices, especially with the demands of on-device inference services. Recent research efforts often apply model compression techniques, such as quantization, pruning and merging, to restrict MoE complexity. Unfortunately, due to their predefined static model optimization strategies, they cannot always achieve the desired quality-overhead trade-off when handling multiple requests, finally degrading the on-device quality of service. These limitations motivate us to propose the D^2MoE, an algorithm-system co-design framework that matches diverse task requirements by dynamically allocating the most proper bit-width to each expert. Specifically, inspired by the nested structure of matryoshka dolls, we propose the matryoshka weight quantization (MWQ) to progressively compress expert weights in a bit-nested manner and reduce the required runtime memory. On top of it, we further optimize the I/O-computation pipeline and design a heuristic scheduling algorithm following our hottest-expert-bit-first (HEBF) principle, which maximizes the expert parallelism between I/O and computation queue under constrained memory budgets, thus significantly reducing the idle temporal bubbles waiting for the experts to load. Evaluations on real edge devices show that D^2MoE improves the overall inference throughput by up to 1.39times and reduces the peak memory footprint by up to 53% over the latest on-device inference frameworks, while still preserving comparable serving accuracy as its INT8 counterparts.

Mixture-of-Experts (MoE) models have shown remarkable capability in instruction tuning, especially when the number of tasks scales. However, previous methods simply merge all training tasks (e.g. creative writing, coding, and mathematics) and apply fixed sampling weights, without considering the importance of different tasks as the model training state changes. In this way, the most helpful data cannot be effectively distinguished, leading to suboptimal model performance. To reduce the potential redundancies of datasets, we make the first attempt and propose a novel dynamic data mixture for MoE instruction tuning. Specifically, inspired by MoE's token routing preference, we build dataset-level representations and then capture the subtle differences among datasets. Finally, we propose to dynamically adjust the sampling weight of datasets by their inter-redundancies, thus maximizing global performance under a limited training budget. The experimental results on two MoE models demonstrate the effectiveness of our approach on both downstream knowledge \& reasoning tasks and open-ended queries. Code and models are available at https://github.com/Spico197/MoE-SFT .

Fine-tuning large pre-trained LLMs generally demands extensive GPU memory. Traditional first-order optimizers like SGD encounter substantial difficulties due to increased memory requirements from storing activations and gradients during both the forward and backward phases as the model size expands. Alternatively, zeroth-order (ZO) techniques can compute gradients using just forward operations, eliminating the need to store activations. Furthermore, by leveraging CPU capabilities, it's feasible to enhance both the memory and processing power available to a single GPU. We propose a novel framework, ZO2 (Zeroth-Order Offloading), for efficient zeroth-order fine-tuning of LLMs with only limited GPU memory. Our framework dynamically shifts model parameters between the CPU and GPU as required, optimizing computation flow and maximizing GPU usage by minimizing downtime. This integration of parameter adjustments with ZO's double forward operations reduces unnecessary data movement, enhancing the fine-tuning efficacy. Additionally, our framework supports an innovative low-bit precision approach in AMP mode to streamline data exchanges between the CPU and GPU. Employing this approach allows us to fine-tune extraordinarily large models, such as the OPT-175B with more than 175 billion parameters, on a mere 18GB GPU--achievements beyond the reach of traditional methods. Moreover, our framework achieves these results with almost no additional time overhead and absolutely no accuracy loss compared to standard zeroth-order methods. ZO2's code has been open-sourced in https://github.com/liangyuwang/zo2.

Despite the promise of Multi-Task Learning in leveraging complementary knowledge across tasks, existing multi-task optimization (MTO) techniques remain fixated on resolving conflicts via optimizer-centric loss scaling and gradient manipulation strategies, yet fail to deliver consistent gains. In this paper, we argue that the shared representation space, where task interactions naturally occur, offers rich information and potential for operations complementary to existing optimizers, especially for facilitating the inter-task complementarity, which is rarely explored in MTO. This intuition leads to Rep-MTL, which exploits the representation-level task saliency to quantify interactions between task-specific optimization and shared representation learning. By steering these saliencies through entropy-based penalization and sample-wise cross-task alignment, Rep-MTL aims to mitigate negative transfer by maintaining the effective training of individual tasks instead pure conflict-solving, while explicitly promoting complementary information sharing. Experiments are conducted on four challenging MTL benchmarks covering both task-shift and domain-shift scenarios. The results show that Rep-MTL, even paired with the basic equal weighting policy, achieves competitive performance gains with favorable efficiency. Beyond standard performance metrics, Power Law exponent analysis demonstrates Rep-MTL's efficacy in balancing task-specific learning and cross-task sharing. The project page is available at HERE.

Feature shaping refers to a family of methods that exhibit state-of-the-art performance for out-of-distribution (OOD) detection. These approaches manipulate the feature representation, typically from the penultimate layer of a pre-trained deep learning model, so as to better differentiate between in-distribution (ID) and OOD samples. However, existing feature-shaping methods usually employ rules manually designed for specific model architectures and OOD datasets, which consequently limit their generalization ability. To address this gap, we first formulate an abstract optimization framework for studying feature-shaping methods. We then propose a concrete reduction of the framework with a simple piecewise constant shaping function and show that existing feature-shaping methods approximate the optimal solution to the concrete optimization problem. Further, assuming that OOD data is inaccessible, we propose a formulation that yields a closed-form solution for the piecewise constant shaping function, utilizing solely the ID data. Through extensive experiments, we show that the feature-shaping function optimized by our method improves the generalization ability of OOD detection across a large variety of datasets and model architectures.

Evolutionary model merging enables the creation of high-performing multi-task models but remains computationally prohibitive for consumer hardware. We introduce MERGE^3, an efficient framework that makes evolutionary merging feasible on a single GPU by reducing fitness computation costs 50times while preserving performance. MERGE^3 achieves this by Extracting a reduced dataset for evaluation, Estimating model abilities using Item Response Theory (IRT), and Evolving optimal merges via IRT-based performance estimators. Our method enables state-of-the-art multilingual and cross-lingual merging, transferring knowledge across languages with significantly lower computational overhead. We provide theoretical guarantees and an open-source library, democratizing high-quality model merging.

This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies. DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems. The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality. It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers. The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems. The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.

Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCO_code/tree/main/single_objective/UDC-Large-scale-CO-master.

Combinatorial Optimization underpins many real-world applications and yet, designing performant algorithms to solve these complex, typically NP-hard, problems remains a significant research challenge. Reinforcement Learning (RL) provides a versatile framework for designing heuristics across a broad spectrum of problem domains. However, despite notable progress, RL has not yet supplanted industrial solvers as the go-to solution. Current approaches emphasize pre-training heuristics that construct solutions but often rely on search procedures with limited variance, such as stochastically sampling numerous solutions from a single policy or employing computationally expensive fine-tuning of the policy on individual problem instances. Building on the intuition that performant search at inference time should be anticipated during pre-training, we propose COMPASS, a novel RL approach that parameterizes a distribution of diverse and specialized policies conditioned on a continuous latent space. We evaluate COMPASS across three canonical problems - Travelling Salesman, Capacitated Vehicle Routing, and Job-Shop Scheduling - and demonstrate that our search strategy (i) outperforms state-of-the-art approaches on 11 standard benchmarking tasks and (ii) generalizes better, surpassing all other approaches on a set of 18 procedurally transformed instance distributions.

Dynamic programming (DP) algorithms for combinatorial optimization problems work with taking maximization, minimization, and classical addition in their recursion algorithms. The associated value functions correspond to convex polyhedra in the max plus semiring. Existing Neural Algorithmic Reasoning models, however, rely on softmax-normalized dot-product attention where the smooth exponential weighting blurs these sharp polyhedral structures and collapses when evaluated on out-of-distribution (OOD) settings. We introduce Tropical attention, a novel attention function that operates natively in the max-plus semiring of tropical geometry. We prove that Tropical attention can approximate tropical circuits of DP-type combinatorial algorithms. We then propose that using Tropical transformers enhances empirical OOD performance in both length generalization and value generalization, on algorithmic reasoning tasks, surpassing softmax baselines while remaining stable under adversarial attacks. We also present adversarial-attack generalization as a third axis for Neural Algorithmic Reasoning benchmarking. Our results demonstrate that Tropical attention restores the sharp, scale-invariant reasoning absent from softmax.

Resided at the intersection of multi-fidelity optimization (MFO) and Bayesian optimization (BO), MF BO has found a niche in solving expensive engineering design optimization problems, thanks to its advantages in incorporating physical and mathematical understandings of the problems, saving resources, addressing exploitation-exploration trade-off, considering uncertainty, and processing parallel computing. The increasing number of works dedicated to MF BO suggests the need for a comprehensive review of this advanced optimization technique. In this paper, we survey recent developments of two essential ingredients of MF BO: Gaussian process (GP) based MF surrogates and acquisition functions. We first categorize the existing MF modeling methods and MFO strategies to locate MF BO in a large family of surrogate-based optimization and MFO algorithms. We then exploit the common properties shared between the methods from each ingredient of MF BO to describe important GP-based MF surrogate models and review various acquisition functions. By doing so, we expect to provide a structured understanding of MF BO. Finally, we attempt to reveal important aspects that require further research for applications of MF BO in solving intricate yet important design optimization problems, including constrained optimization, high-dimensional optimization, optimization under uncertainty, and multi-objective optimization.

Gradient-free/zeroth-order methods for black-box convex optimization have been extensively studied in the last decade with the main focus on oracle calls complexity. In this paper, besides the oracle complexity, we focus also on iteration complexity, and propose a generic approach that, based on optimal first-order methods, allows to obtain in a black-box fashion new zeroth-order algorithms for non-smooth convex optimization problems. Our approach not only leads to optimal oracle complexity, but also allows to obtain iteration complexity similar to first-order methods, which, in turn, allows to exploit parallel computations to accelerate the convergence of our algorithms. We also elaborate on extensions for stochastic optimization problems, saddle-point problems, and distributed optimization.

Bayesian optimization is an approach to optimizing objective functions that take a long time (minutes or hours) to evaluate. It is best-suited for optimization over continuous domains of less than 20 dimensions, and tolerates stochastic noise in function evaluations. It builds a surrogate for the objective and quantifies the uncertainty in that surrogate using a Bayesian machine learning technique, Gaussian process regression, and then uses an acquisition function defined from this surrogate to decide where to sample. In this tutorial, we describe how Bayesian optimization works, including Gaussian process regression and three common acquisition functions: expected improvement, entropy search, and knowledge gradient. We then discuss more advanced techniques, including running multiple function evaluations in parallel, multi-fidelity and multi-information source optimization, expensive-to-evaluate constraints, random environmental conditions, multi-task Bayesian optimization, and the inclusion of derivative information. We conclude with a discussion of Bayesian optimization software and future research directions in the field. Within our tutorial material we provide a generalization of expected improvement to noisy evaluations, beyond the noise-free setting where it is more commonly applied. This generalization is justified by a formal decision-theoretic argument, standing in contrast to previous ad hoc modifications.

Modern instruction-tuned large language models (LLMs) have made remarkable progress in code generation. However, these LLMs fine-tuned with standard supervised fine-tuning (SFT) sometimes generate plausible-looking but functionally incorrect code variants. This issue likely stems from the limitation of standard SFT, which treats all tokens equally during optimization and fails to emphasize the error-sensitive segments-specific code differences between correct implementations and similar incorrect variants. To address this problem, we propose Fault-Aware Fine-Tuning (FAIT), a novel fine-tuning technique that enhances LLMs' code generation by (1) extracting multi-granularity (line/token-level) differences between correct and incorrect yet similar implementations to identify error-sensitive segments, and (2) dynamically prioritizing those segments during training via dynamic loss weighting. Through extensive experiments on seven LLMs across three widely-used benchmarks, our method achieves an average relative improvement of 6.9% on pass@1 with just one epoch of training, with some enhanced 6.7B LLMs outperforming closed-source models, e.g., GPT-3.5-Turbo. Furthermore, our fine-tuning technique demonstrates strong generalization with performance improvements ranging from 3.8% to 19.1% across diverse instruction-tuned LLMs, and our ablation studies confirm the contributions of different granularities of differences and loss function components.

Bayesian Optimization (BO) is a foundational strategy in the field of engineering design optimization for efficiently handling black-box functions with many constraints and expensive evaluations. This paper introduces a fast and accurate BO framework that leverages Pre-trained Transformers for Bayesian Optimization (PFN4sBO) to address constrained optimization problems in engineering. Unlike traditional BO methods that rely heavily on Gaussian Processes (GPs), our approach utilizes Prior-data Fitted Networks (PFNs), a type of pre-trained transformer, to infer constraints and optimal solutions without requiring any iterative retraining. We demonstrate the effectiveness of PFN-based BO through a comprehensive benchmark consisting of fifteen test problems, encompassing synthetic, structural, and engineering design challenges. Our findings reveal that PFN-based BO significantly outperforms Constrained Expected Improvement and Penalty-based GP methods by an order of magnitude in speed while also outperforming them in accuracy in identifying feasible, optimal solutions. This work showcases the potential of integrating machine learning with optimization techniques in solving complex engineering challenges, heralding a significant leap forward for optimization methodologies, opening up the path to using PFN-based BO to solve other challenging problems, such as enabling user-guided interactive BO, adaptive experiment design, or multi-objective design optimization. Additionally, we establish a benchmark for evaluating BO algorithms in engineering design, offering a robust platform for future research and development in the field. This benchmark framework for evaluating new BO algorithms in engineering design will be published at https://github.com/rosenyu304/BOEngineeringBenchmark.

A fundamental problem in combinatorial optimization is identifying equivalent formulations, which can lead to more efficient solution strategies and deeper insights into a problem's computational complexity. The need to automatically identify equivalence between problem formulations has grown as optimization copilots--systems that generate problem formulations from natural language descriptions--have proliferated. However, existing approaches to checking formulation equivalence lack grounding, relying on simple heuristics which are insufficient for rigorous validation. Inspired by Karp reductions, in this work we introduce quasi-Karp equivalence, a formal criterion for determining when two optimization formulations are equivalent based on the existence of a mapping between their decision variables. We propose EquivaMap, a framework that leverages large language models to automatically discover such mappings, enabling scalable and reliable equivalence verification. To evaluate our approach, we construct the first open-source dataset of equivalent optimization formulations, generated by applying transformations such as adding slack variables or valid inequalities to existing formulations. Empirically, EquivaMap significantly outperforms existing methods, achieving substantial improvements in correctly identifying formulation equivalence.

Meta-Bayesian optimisation (meta-BO) aims to improve the sample efficiency of Bayesian optimisation by leveraging data from related tasks. While previous methods successfully meta-learn either a surrogate model or an acquisition function independently, joint training of both components remains an open challenge. This paper proposes the first end-to-end differentiable meta-BO framework that generalises neural processes to learn acquisition functions via transformer architectures. We enable this end-to-end framework with reinforcement learning (RL) to tackle the lack of labelled acquisition data. Early on, we notice that training transformer-based neural processes from scratch with RL is challenging due to insufficient supervision, especially when rewards are sparse. We formalise this claim with a combinatorial analysis showing that the widely used notion of regret as a reward signal exhibits a logarithmic sparsity pattern in trajectory lengths. To tackle this problem, we augment the RL objective with an auxiliary task that guides part of the architecture to learn a valid probabilistic model as an inductive bias. We demonstrate that our method achieves state-of-the-art regret results against various baselines in experiments on standard hyperparameter optimisation tasks and also outperforms others in the real-world problems of mixed-integer programming tuning, antibody design, and logic synthesis for electronic design automation.

The prevalence of multi-modal content on social media complicates automated moderation strategies. This calls for an enhancement in multi-modal classification and a deeper understanding of understated meanings in images and memes. Although previous efforts have aimed at improving model performance through fine-tuning, few have explored an end-to-end optimization pipeline that accounts for modalities, prompting, labeling, and fine-tuning. In this study, we propose an end-to-end conceptual framework for model optimization in complex tasks. Experiments support the efficacy of this traditional yet novel framework, achieving the highest accuracy and AUROC. Ablation experiments demonstrate that isolated optimizations are not ineffective on their own.

As mathematical computing becomes more democratized in high-level languages, high-performance symbolic-numeric systems are necessary for domain scientists and engineers to get the best performance out of their machine without deep knowledge of code optimization. Naturally, users need different term types either to have different algebraic properties for them, or to use efficient data structures. To this end, we developed Symbolics.jl, an extendable symbolic system which uses dynamic multiple dispatch to change behavior depending on the domain needs. In this work we detail an underlying abstract term interface which allows for speed without sacrificing generality. We show that by formalizing a generic API on actions independent of implementation, we can retroactively add optimized data structures to our system without changing the pre-existing term rewriters. We showcase how this can be used to optimize term construction and give a 113x acceleration on general symbolic transformations. Further, we show that such a generic API allows for complementary term-rewriting implementations. We demonstrate the ability to swap between classical term-rewriting simplifiers and e-graph-based term-rewriting simplifiers. We showcase an e-graph ruleset which minimizes the number of CPU cycles during expression evaluation, and demonstrate how it simplifies a real-world reaction-network simulation to halve the runtime. Additionally, we show a reaction-diffusion partial differential equation solver which is able to be automatically converted into symbolic expressions via multiple dispatch tracing, which is subsequently accelerated and parallelized to give a 157x simulation speedup. Together, this presents Symbolics.jl as a next-generation symbolic-numeric computing environment geared towards modeling and simulation.

Mixture-of-Experts (MoE) models have gained popularity in achieving state-of-the-art performance in a wide range of tasks in computer vision and natural language processing. They effectively expand the model capacity while incurring a minimal increase in computation cost during training. However, deploying such models for inference is difficult due to their large size and complex communication pattern. In this work, we provide a characterization of two MoE workloads, namely Language Modeling (LM) and Machine Translation (MT) and identify their sources of inefficiencies at deployment. We propose three optimization techniques to mitigate sources of inefficiencies, namely (1) Dynamic gating, (2) Expert Buffering, and (3) Expert load balancing. We show that dynamic gating improves maximum throughput by 6.21-11.23times for LM, 5.75-10.98times for MT Encoder and 2.58-5.71times for MT Decoder. It also reduces memory usage by up to 1.36times for LM and up to 1.1times for MT. We further propose Expert Buffering, a new caching mechanism that only keeps hot, active experts in GPU memory while buffering the rest in CPU memory. This reduces static memory allocation by up to 1.47times. We finally propose a load balancing methodology that provides additional scalability to the workload.

The rapid scaling of large language models necessitates more lightweight finetuning methods to reduce the explosive GPU memory overhead when numerous customized models are served simultaneously. Targeting more parameter-efficient low-rank adaptation (LoRA), parameter sharing presents a promising solution. Empirically, our research into high-level sharing principles highlights the indispensable role of differentiation in reversing the detrimental effects of pure sharing. Guided by this finding, we propose Mixture of Shards (MoS), incorporating both inter-layer and intra-layer sharing schemes, and integrating four nearly cost-free differentiation strategies, namely subset selection, pair dissociation, vector sharding, and shard privatization. Briefly, it selects a designated number of shards from global pools with a Mixture-of-Experts (MoE)-like routing mechanism before sequentially concatenating them to low-rank matrices. Hence, it retains all the advantages of LoRA while offering enhanced parameter efficiency, and effectively circumvents the drawbacks of peer parameter-sharing methods. Our empirical experiments demonstrate approximately 8x parameter savings in a standard LoRA setting. The ablation study confirms the significance of each component. Our insights into parameter sharing and MoS method may illuminate future developments of more parameter-efficient finetuning methods.

This paper presents a detailed analysis of the scalability and parallelization of local search algorithms for the Satisfiability problem. We propose a framework to estimate the parallel performance of a given algorithm by analyzing the runtime behavior of its sequential version. Indeed, by approximating the runtime distribution of the sequential process with statistical methods, the runtime behavior of the parallel process can be predicted by a model based on order statistics. We apply this approach to study the parallel performance of two SAT local search solvers, namely Sparrow and CCASAT, and compare the predicted performances to the results of an actual experimentation on parallel hardware up to 384 cores. We show that the model is accurate and predicts performance close to the empirical data. Moreover, as we study different types of instances (random and crafted), we observe that the local search solvers exhibit different behaviors and that their runtime distributions can be approximated by two types of distributions: exponential (shifted and non-shifted) and lognormal.

We propose Heuristic Blending (HUBL), a simple performance-improving technique for a broad class of offline RL algorithms based on value bootstrapping. HUBL modifies the Bellman operators used in these algorithms, partially replacing the bootstrapped values with heuristic ones that are estimated with Monte-Carlo returns. For trajectories with higher returns, HUBL relies more on the heuristic values and less on bootstrapping; otherwise, it leans more heavily on bootstrapping. HUBL is very easy to combine with many existing offline RL implementations by relabeling the offline datasets with adjusted rewards and discount factors. We derive a theory that explains HUBL's effect on offline RL as reducing offline RL's complexity and thus increasing its finite-sample performance. Furthermore, we empirically demonstrate that HUBL consistently improves the policy quality of four state-of-the-art bootstrapping-based offline RL algorithms (ATAC, CQL, TD3+BC, and IQL), by 9% on average over 27 datasets of the D4RL and Meta-World benchmarks.

Before the deep learning revolution, many perception algorithms were based on runtime optimization in conjunction with a strong prior/regularization penalty. A prime example of this in computer vision is optical and scene flow. Supervised learning has largely displaced the need for explicit regularization. Instead, they rely on large amounts of labeled data to capture prior statistics, which are not always readily available for many problems. Although optimization is employed to learn the neural network, the weights of this network are frozen at runtime. As a result, these learning solutions are domain-specific and do not generalize well to other statistically different scenarios. This paper revisits the scene flow problem that relies predominantly on runtime optimization and strong regularization. A central innovation here is the inclusion of a neural scene flow prior, which uses the architecture of neural networks as a new type of implicit regularizer. Unlike learning-based scene flow methods, optimization occurs at runtime, and our approach needs no offline datasets -- making it ideal for deployment in new environments such as autonomous driving. We show that an architecture based exclusively on multilayer perceptrons (MLPs) can be used as a scene flow prior. Our method attains competitive -- if not better -- results on scene flow benchmarks. Also, our neural prior's implicit and continuous scene flow representation allows us to estimate dense long-term correspondences across a sequence of point clouds. The dense motion information is represented by scene flow fields where points can be propagated through time by integrating motion vectors. We demonstrate such a capability by accumulating a sequence of lidar point clouds.

Recently similarity graphs became the leading paradigm for efficient nearest neighbor search, outperforming traditional tree-based and LSH-based methods. Similarity graphs perform the search via greedy routing: a query traverses the graph and in each vertex moves to the adjacent vertex that is the closest to this query. In practice, similarity graphs are often susceptible to local minima, when queries do not reach its nearest neighbors, getting stuck in suboptimal vertices. In this paper we propose to learn the routing function that overcomes local minima via incorporating information about the graph global structure. In particular, we augment the vertices of a given graph with additional representations that are learned to provide the optimal routing from the start vertex to the query nearest neighbor. By thorough experiments, we demonstrate that the proposed learnable routing successfully diminishes the local minima problem and significantly improves the overall search performance.

Optimization problems with nonlinear cost functions and combinatorial constraints appear in many real-world applications but remain challenging to solve efficiently compared to their linear counterparts. To bridge this gap, we propose SurCo that learns linear text{Sur}rogate costs which can be used in existing text{Co}mbinatorial solvers to output good solutions to the original nonlinear combinatorial optimization problem. The surrogate costs are learned end-to-end with nonlinear loss by differentiating through the linear surrogate solver, combining the flexibility of gradient-based methods with the structure of linear combinatorial optimization. We propose three SurCo variants: SurCo-zero for individual nonlinear problems, SurCo-prior for problem distributions, and SurCo-hybrid to combine both distribution and problem-specific information. We give theoretical intuition motivating SurCo, and evaluate it empirically. Experiments show that SurCo finds better solutions faster than state-of-the-art and domain expert approaches in real-world optimization problems such as embedding table sharding, inverse photonic design, and nonlinear route planning.

Despite the success of neural-based combinatorial optimization methods for end-to-end heuristic learning, out-of-distribution generalization remains a challenge. In this paper, we present a novel formulation of Combinatorial Optimization Problems (COPs) as Markov Decision Processes (MDPs) that effectively leverages common symmetries of COPs to improve out-of-distribution robustness. Starting from a direct MDP formulation of a constructive method, we introduce a generic way to reduce the state space, based on Bisimulation Quotienting (BQ) in MDPs. Then, for COPs with a recursive nature, we specialize the bisimulation and show how the reduced state exploits the symmetries of these problems and facilitates MDP solving. Our approach is principled and we prove that an optimal policy for the proposed BQ-MDP actually solves the associated COPs. We illustrate our approach on five classical problems: the Euclidean and Asymmetric Traveling Salesman, Capacitated Vehicle Routing, Orienteering and Knapsack Problems. Furthermore, for each problem, we introduce a simple attention-based policy network for the BQ-MDPs, which we train by imitation of (near) optimal solutions of small instances from a single distribution. We obtain new state-of-the-art results for the five COPs on both synthetic and realistic benchmarks. Notably, in contrast to most existing neural approaches, our learned policies show excellent generalization performance to much larger instances than seen during training, without any additional search procedure.

Heuristic algorithms play a vital role in solving combinatorial optimization (CO) problems, yet traditional designs depend heavily on manual expertise and struggle to generalize across diverse instances. We introduce HeurAgenix, a two-stage hyper-heuristic framework powered by large language models (LLMs) that first evolves heuristics and then selects among them automatically. In the heuristic evolution phase, HeurAgenix leverages an LLM to compare seed heuristic solutions with higher-quality solutions and extract reusable evolution strategies. During problem solving, it dynamically picks the most promising heuristic for each problem state, guided by the LLM's perception ability. For flexibility, this selector can be either a state-of-the-art LLM or a fine-tuned lightweight model with lower inference cost. To mitigate the scarcity of reliable supervision caused by CO complexity, we fine-tune the lightweight heuristic selector with a dual-reward mechanism that jointly exploits singals from selection preferences and state perception, enabling robust selection under noisy annotations. Extensive experiments on canonical benchmarks show that HeurAgenix not only outperforms existing LLM-based hyper-heuristics but also matches or exceeds specialized solvers. Code is available at https://github.com/microsoft/HeurAgenix.

The Travelling Salesman Problem (TSP) remains a fundamental challenge in combinatorial optimization, inspiring diverse algorithmic strategies. This paper revisits the "heatmap + Monte Carlo Tree Search (MCTS)" paradigm that has recently gained traction for learning-based TSP solutions. Within this framework, heatmaps encode the likelihood of edges forming part of the optimal tour, and MCTS refines this probabilistic guidance to discover optimal solutions. Contemporary approaches have predominantly emphasized the refinement of heatmap generation through sophisticated learning models, inadvertently sidelining the critical role of MCTS. Our extensive empirical analysis reveals two pivotal insights: 1) The configuration of MCTS strategies profoundly influences the solution quality, demanding meticulous tuning to leverage their full potential; 2) Our findings demonstrate that a rudimentary and parameter-free heatmap, derived from the intrinsic k-nearest nature of TSP, can rival or even surpass the performance of complicated heatmaps, with strong generalizability across various scales. Empirical evaluations across various TSP scales underscore the efficacy of our approach, achieving competitive results. These observations challenge the prevailing focus on heatmap sophistication, advocating a reevaluation of the paradigm to harness both components synergistically. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

Instruction Tuning involves finetuning a language model on a collection of instruction-formatted datasets in order to enhance the generalizability of the model to unseen tasks. Studies have shown the importance of balancing different task proportions during finetuning, but finding the right balance remains challenging. Unfortunately, there's currently no systematic method beyond manual tuning or relying on practitioners' intuition. In this paper, we introduce SMART (Submodular data Mixture strAtegy for instRuction Tuning) - a novel data mixture strategy which makes use of a submodular function to assign importance scores to tasks which are then used to determine the mixture weights. Given a fine-tuning budget, SMART redistributes the budget among tasks and selects non-redundant samples from each task. Experimental results demonstrate that SMART significantly outperforms traditional methods such as examples proportional mixing and equal mixing. Furthermore, SMART facilitates the creation of data mixtures based on a few representative subsets of tasks alone and through task pruning analysis, we reveal that in a limited budget setting, allocating budget among a subset of representative tasks yields superior performance compared to distributing the budget among all tasks. The code for reproducing our results is open-sourced at https://github.com/kowndinya-renduchintala/SMART.

Instruction-based language modeling has received significant attention in pretrained language models. However, the efficiency of instruction engineering remains low and hinders the development of instruction studies. Recent studies have focused on automating instruction generation, but they primarily aim to improve performance without considering other crucial objectives that impact instruction quality, such as instruction length and perplexity. Therefore, we propose a novel approach (i.e., InstOptima) that treats instruction generation as an evolutionary multi-objective optimization problem. In contrast to text edition-based methods, our approach utilizes a large language model (LLM) to simulate instruction operators, including mutation and crossover. Furthermore, we introduce an objective-guided mechanism for these operators, allowing the LLM to comprehend the objectives and enhance the quality of the generated instructions. Experimental results demonstrate improved fine-tuning performance and the generation of a diverse set of high-quality instructions.

Large language models (LLMs) are increasingly integrated into many online services. However, a major challenge in deploying LLMs is their high cost, due primarily to the use of expensive GPU instances. To address this problem, we find that the significant heterogeneity of GPU types presents an opportunity to increase GPU cost efficiency and reduce deployment costs. The broad and growing market of GPUs creates a diverse option space with varying costs and hardware specifications. Within this space, we show that there is not a linear relationship between GPU cost and performance, and identify three key LLM service characteristics that significantly affect which GPU type is the most cost effective: model request size, request rate, and latency service-level objective (SLO). We then present M\'elange, a framework for navigating the diversity of GPUs and LLM service specifications to derive the most cost-efficient set of GPUs for a given LLM service. We frame the task of GPU selection as a cost-aware bin-packing problem, where GPUs are bins with a capacity and cost, and items are request slices defined by a request size and rate. Upon solution, M\'elange derives the minimal-cost GPU allocation that adheres to a configurable latency SLO. Our evaluations across both real-world and synthetic datasets demonstrate that M\'elange can reduce deployment costs by up to 77% as compared to utilizing only a single GPU type, highlighting the importance of making heterogeneity-aware GPU provisioning decisions for LLM serving. Our source code is publicly available at https://github.com/tyler-griggs/melange-release.

Code generation models have shown significant potential for programming tasks. However, existing training methods like supervised fine-tuning face key limitations: they do not effectively teach models to prioritize correct over incorrect solutions in ambiguous situations, nor do they effectively optimize the runtime efficiency of the generated code. To address these challenges, we propose CodeDPO, a framework that integrates preference learning into code generation to improve two key code preference factors: code correctness and efficiency. CodeDPO employs a novel dataset construction method, utilizing a self-generation-and-validation mechanism that simultaneously generates and evaluates code and test cases. The underlying assumption is that test cases executable by multiple code snippets provide more reliable validation, and code that passes more tests is more likely to be correct. Through this self-validation process, our PageRank-inspired algorithm iteratively updates the ranking score of each code snippet, ultimately creating a code preference optimization dataset based on correctness and efficiency. CodeDPO is flexible and scalable, generating diverse preference optimization data without depending on external resources. Through comprehensive evaluations of five widely used benchmarks, CodeDPO demonstrates significant improvements in correctness and efficiency compared to existing methods. Our experiments prove that CodeDPO enhances the capabilities of LLMs in code generation and provides a robust foundation for conducting code preference optimization in more complex and challenging real-world scenarios.

This work presents mixed variational flows (MixFlows), a new variational family that consists of a mixture of repeated applications of a map to an initial reference distribution. First, we provide efficient algorithms for i.i.d. sampling, density evaluation, and unbiased ELBO estimation. We then show that MixFlows have MCMC-like convergence guarantees when the flow map is ergodic and measure-preserving, and provide bounds on the accumulation of error for practical implementations where the flow map is approximated. Finally, we develop an implementation of MixFlows based on uncorrected discretized Hamiltonian dynamics combined with deterministic momentum refreshment. Simulated and real data experiments show that MixFlows can provide more reliable posterior approximations than several black-box normalizing flows, as well as samples of comparable quality to those obtained from state-of-the-art MCMC methods.

The deployment and training of neural networks on edge computing devices pose many challenges. The low memory nature of edge devices is often one of the biggest limiting factors encountered in the deployment of large neural network models. Tensor rematerialization or recompute is a way to address high memory requirements for neural network training and inference. In this paper we consider the problem of execution time minimization of compute graphs subject to a memory budget. In particular, we develop a new constraint programming formulation called Moccasin with only O(n) integer variables, where n is the number of nodes in the compute graph. This is a significant improvement over the works in the recent literature that propose formulations with O(n^2) Boolean variables. We present numerical studies that show that our approach is up to an order of magnitude faster than recent work especially for large-scale graphs.

The assessment of safety performance plays a pivotal role in the development and deployment of connected and automated vehicles (CAVs). A common approach involves designing testing scenarios based on prior knowledge of CAVs (e.g., surrogate models), conducting tests in these scenarios, and subsequently evaluating CAVs' safety performances. However, substantial differences between CAVs and the prior knowledge can significantly diminish the evaluation efficiency. In response to this issue, existing studies predominantly concentrate on the adaptive design of testing scenarios during the CAV testing process. Yet, these methods have limitations in their applicability to high-dimensional scenarios. To overcome this challenge, we develop an adaptive testing environment that bolsters evaluation robustness by incorporating multiple surrogate models and optimizing the combination coefficients of these surrogate models to enhance evaluation efficiency. We formulate the optimization problem as a regression task utilizing quadratic programming. To efficiently obtain the regression target via reinforcement learning, we propose the dense reinforcement learning method and devise a new adaptive policy with high sample efficiency. Essentially, our approach centers on learning the values of critical scenes displaying substantial surrogate-to-real gaps. The effectiveness of our method is validated in high-dimensional overtaking scenarios, demonstrating that our approach achieves notable evaluation efficiency.

We introduce a unified framework for iterative reasoning that leverages non-Euclidean geometry via Bregman divergences, higher-order operator averaging, and adaptive feedback mechanisms. Our analysis establishes that, under mild smoothness and contractivity assumptions, a generalized update scheme not only unifies classical methods such as mirror descent and dynamic programming but also captures modern chain-of-thought reasoning processes in large language models. In particular, we prove that our accelerated iterative update achieves an O(1/t^2) convergence rate in the absence of persistent perturbations, and we further demonstrate that feedback (iterative) architectures are necessary to approximate certain fixed-point functions efficiently. These theoretical insights bridge classical acceleration techniques with contemporary applications in neural computation and optimization.

Second-order optimization has been developed to accelerate the training of deep neural networks and it is being applied to increasingly larger-scale models. In this study, towards training on further larger scales, we identify a specific parameterization for second-order optimization that promotes feature learning in a stable manner even if the network width increases significantly. Inspired by a maximal update parameterization, we consider a one-step update of the gradient and reveal the appropriate scales of hyperparameters including random initialization, learning rates, and damping terms. Our approach covers two major second-order optimization algorithms, K-FAC and Shampoo, and we demonstrate that our parameterization achieves higher generalization performance in feature learning. In particular, it enables us to transfer the hyperparameters across models with different widths.

The exponential growth in demand for GPU computing resources, driven by the rapid advancement of Large Language Models, has created an urgent need for automated CUDA optimization strategies. While recent advances in LLMs show promise for code generation, current SOTA models (e.g. R1, o1) achieve low success rates in improving CUDA speed. In this paper, we introduce CUDA-L1, an automated reinforcement learning framework for CUDA optimization. CUDA-L1 achieves performance improvements on the CUDA optimization task: trained on NVIDIA A100, it delivers an average speedup of x17.7 across all 250 CUDA kernels of KernelBench, with peak speedups reaching x449. Furthermore, the model also demonstrates excellent portability across GPU architectures, achieving average speedups of x17.8 on H100, x19.0 on RTX 3090, x16.5 on L40, x14.7 on H800, and x13.9 on H20 despite being optimized specifically for A100. Beyond these benchmark results, CUDA-L1 demonstrates several remarkable properties: 1) Discovers a variety of CUDA optimization techniques and learns to combine them strategically to achieve optimal performance; 2) Uncovers fundamental principles of CUDA optimization; 3) Identifies non-obvious performance bottlenecks and rejects seemingly beneficial optimizations that harm performance. The capabilities of CUDA-L1 demonstrate that reinforcement learning can transform an initially poor-performing LLM into an effective CUDA optimizer through speedup-based reward signals alone, without human expertise or domain knowledge. More importantly, the trained RL model extend the acquired reasoning abilities to new kernels. This paradigm opens possibilities for automated optimization of CUDA operations, and holds promise to substantially promote GPU efficiency and alleviate the rising pressure on GPU computing resources.

The scale of large pre-trained models (PTMs) poses significant challenges in adapting to downstream tasks due to the high optimization overhead and storage costs associated with full-parameter fine-tuning. To address this, many studies explore parameter-efficient tuning methods, also framed as "delta tuning", which updates only a small subset of parameters, known as "delta modules", while keeping the backbone model's parameters fixed. However, the practicality and flexibility of delta tuning have been limited due to existing implementations that directly modify the code of the backbone PTMs and hard-code specific delta tuning methods for each PTM. In this paper, we present OpenDelta, an open-source library that overcomes these limitations by providing a plug-and-play implementation of various delta tuning methods. Our novel techniques eliminate the need to modify the backbone PTMs' code, making OpenDelta compatible with different, even novel PTMs. OpenDelta is designed to be simple, modular, and extensible, providing a comprehensive platform for researchers and practitioners to adapt large PTMs efficiently.

Preconditioned gradient methods are among the most general and powerful tools in optimization. However, preconditioning requires storing and manipulating prohibitively large matrices. We describe and analyze a new structure-aware preconditioning algorithm, called Shampoo, for stochastic optimization over tensor spaces. Shampoo maintains a set of preconditioning matrices, each of which operates on a single dimension, contracting over the remaining dimensions. We establish convergence guarantees in the stochastic convex setting, the proof of which builds upon matrix trace inequalities. Our experiments with state-of-the-art deep learning models show that Shampoo is capable of converging considerably faster than commonly used optimizers. Although it involves a more complex update rule, Shampoo's runtime per step is comparable to that of simple gradient methods such as SGD, AdaGrad, and Adam.

Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar selection, ES). Despite their shared objective, these have evolved rather independently, with IO recently receiving more research attention. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and ES techniques, both isolation and combination, on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars consistently improves performance over IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with ES strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe synergy between ES and IO, with optimal combinations surpassing individual contributions. We conclude that studying exemplar selection as a standalone method and its optimal combination with instruction optimization remains a crucial aspect of APO and deserves greater consideration in future research, even in the era of highly capable instruction-following models.

Iterative preference optimization methods have recently been shown to perform well for general instruction tuning tasks, but typically make little improvement on reasoning tasks (Yuan et al., 2024, Chen et al., 2024). In this work we develop an iterative approach that optimizes the preference between competing generated Chain-of-Thought (CoT) candidates by optimizing for winning vs. losing reasoning steps that lead to the correct answer. We train using a modified DPO loss (Rafailov et al., 2023) with an additional negative log-likelihood term, which we find to be crucial. We show reasoning improves across repeated iterations of this scheme. While only relying on examples in the training set, our approach results in increasing accuracy for Llama-2-70B-Chat from 55.6% to 81.6% on GSM8K (and 88.7% with majority voting out of 32 samples), from 12.5% to 20.8% on MATH, and from 77.8% to 86.7% on ARC-Challenge, which outperforms other Llama-2-based models not relying on additionally sourced datasets.

Topology optimization by optimally distributing materials in a given domain requires non-gradient optimizers to solve highly complicated problems. However, with hundreds of design variables or more involved, solving such problems would require millions of Finite Element Method (FEM) calculations whose computational cost is huge and impractical. Here we report Self-directed Online Learning Optimization (SOLO) which integrates Deep Neural Network (DNN) with FEM calculations. A DNN learns and substitutes the objective as a function of design variables. A small number of training data is generated dynamically based on the DNN's prediction of the optimum. The DNN adapts to the new training data and gives better prediction in the region of interest until convergence. The optimum predicted by the DNN is proved to converge to the true global optimum through iterations. Our algorithm was tested by four types of problems including compliance minimization, fluid-structure optimization, heat transfer enhancement and truss optimization. It reduced the computational time by 2 ~ 5 orders of magnitude compared with directly using heuristic methods, and outperformed all state-of-the-art algorithms tested in our experiments. This approach enables solving large multi-dimensional optimization problems.

AdamW has been the default optimizer for transformer pretraining. For many years, our community searches for faster and more stable optimizers with only constraint positive outcomes. In this work, we propose a single-line modification in Pytorch to any momentum-based optimizer, which we rename Cautious Optimizer, e.g. C-AdamW and C-Lion. Our theoretical result shows that this modification preserves Adam's Hamiltonian function and it does not break the convergence guarantee under the Lyapunov analysis. In addition, a whole new family of optimizers is revealed by our theoretical insight. Among them, we pick the simplest one for empirical experiments, showing speed-up on Llama and MAE pretraining up to 1.47times. Code is available at https://github.com/kyleliang919/C-Optim

In large language models like the Generative Pre-trained Transformer, the Mixture of Experts paradigm has emerged as a powerful technique for enhancing model expressiveness and accuracy. However, deploying GPT MoE models for parallel inference on distributed systems presents significant challenges, primarily due to the extensive Alltoall communication required for expert routing and aggregation. This communication bottleneck exacerbates the already complex computational landscape, hindering the efficient utilization of high-performance computing resources. In this paper, we propose a lightweight optimization technique called ExFlow, to largely accelerate the inference of these MoE models. We take a new perspective on alleviating the communication overhead by exploiting the inter-layer expert affinity. Unlike previous methods, our solution can be directly applied to pre-trained MoE models without any fine-tuning or accuracy degradation. By proposing a context-coherent expert parallelism on distributed systems, our design only uses one Alltoall communication to deliver the same functionality while previous methods all require two Alltoalls. By carefully examining the conditional probability in tokens' routing across multiple layers, we proved that pre-trained GPT MoE models implicitly exhibit a strong inter-layer expert affinity. We then design an efficient integer programming model to capture such features and show that by properly placing the experts on corresponding GPUs, we can reduce up to 67% cross-GPU routing latency. Our solution beats the cutting-edge MoE implementations with experts from 8 to 64, with up to 2.2x improvement in inference throughput. We further provide a detailed study of how the model implicitly acquires this expert affinity at the very early training stage and how this affinity evolves and stabilizes during training.

Sparsely-gated mixture-of-experts (MoE) has been widely adopted to scale deep learning models to trillion-plus parameters with fixed computational cost. The algorithmic performance of MoE relies on its token routing mechanism that forwards each input token to the right sub-models or experts. While token routing dynamically determines the amount of expert workload at runtime, existing systems suffer inefficient computation due to their static execution, namely static parallelism and pipelining, which does not adapt to the dynamic workload. We present Flex, a highly scalable stack design and implementation for MoE with dynamically adaptive parallelism and pipelining. Flex designs an identical layout for distributing MoE model parameters and input data, which can be leveraged by all possible parallelism or pipelining methods without any mathematical inequivalence or tensor migration overhead. This enables adaptive parallelism/pipelining optimization at zero cost during runtime. Based on this key design, Flex also implements various MoE acceleration techniques. Aggregating all techniques, Flex finally delivers huge speedup at any scale -- 4.96x and 5.75x speedup of a single MoE layer over 16 and 2,048 A100 GPUs, respectively, over the previous state-of-the-art. Our evaluation shows that Flex efficiently and effectively runs a real-world MoE-based model named SwinV2-MoE, built upon Swin Transformer V2, a state-of-the-art computer vision architecture. On efficiency, Flex accelerates SwinV2-MoE, achieving up to 1.55x and 2.11x speedup in training and inference over Fairseq, respectively. On effectiveness, the SwinV2-MoE model achieves superior accuracy in both pre-training and down-stream computer vision tasks such as COCO object detection than the counterpart dense model, indicating the readiness of Flex for end-to-end real-world model training and inference.

Visual programming languages (VPLs) allow users to create programs through graphical interfaces, which results in easier accessibility and their widespread usage in various domains. To further enhance this accessibility, recent research has focused on generating VPL code from user instructions using large language models (LLMs). Specifically, by employing prompting-based methods, these studies have shown promising results. Nevertheless, such approaches can be less effective for industrial VPLs such as Ladder Diagram (LD). LD is a pivotal language used in industrial automation processes and involves extensive domain-specific configurations, which are difficult to capture in a single prompt. In this work, we demonstrate that training-based methods outperform prompting-based methods for LD generation accuracy, even with smaller backbone models. Building on these findings, we propose a two-stage training strategy to further enhance VPL generation. First, we employ retrieval-augmented fine-tuning to leverage the repetitive use of subroutines commonly seen in industrial VPLs. Second, we apply direct preference optimization (DPO) to further guide the model toward accurate outputs, using systematically generated preference pairs through graph editing operations. Extensive experiments on real-world LD data demonstrate that our approach improves program-level accuracy by over 10% compared to supervised fine-tuning, which highlights its potential to advance industrial automation.

Resource scheduling and allocation is a critical component of many high impact systems ranging from congestion control to cloud computing. Finding more optimal solutions to these problems often has significant impact on resource and time savings, reducing device wear-and-tear, and even potentially improving carbon emissions. In this paper, we focus on a specific instance of a scheduling problem, namely the memory mapping problem that occurs during compilation of machine learning programs: That is, mapping tensors to different memory layers to optimize execution time. We introduce an approach for solving the memory mapping problem using Reinforcement Learning. RL is a solution paradigm well-suited for sequential decision making problems that are amenable to planning, and combinatorial search spaces with high-dimensional data inputs. We formulate the problem as a single-player game, which we call the mallocGame, such that high-reward trajectories of the game correspond to efficient memory mappings on the target hardware. We also introduce a Reinforcement Learning agent, mallocMuZero, and show that it is capable of playing this game to discover new and improved memory mapping solutions that lead to faster execution times on real ML workloads on ML accelerators. We compare the performance of mallocMuZero to the default solver used by the Accelerated Linear Algebra (XLA) compiler on a benchmark of realistic ML workloads. In addition, we show that mallocMuZero is capable of improving the execution time of the recently published AlphaTensor matrix multiplication model.

Mixture of Experts (MoE) architectures have significantly increased computational efficiency in both research and real-world applications of large-scale machine learning models. However, their scalability and efficiency under memory constraints remain relatively underexplored. In this work, we present joint scaling laws for dense and MoE models, incorporating key factors such as the number of active parameters, dataset size, and the number of experts. Our findings provide a principled framework for selecting the optimal MoE configuration under fixed memory and compute budgets. Surprisingly, we show that MoE models can be more memory-efficient than dense models, contradicting conventional wisdom. To derive and validate the theoretical predictions of our scaling laws, we conduct over 280 experiments with up to 2.7B active parameters and up to 5B total parameters. These results offer actionable insights for designing and deploying MoE models in practical large-scale training scenarios.

Model merging has shown great promise at combining expert models, but the benefit of merging is unclear when merging ``generalist'' models trained on many tasks. We explore merging in the context of large (sim100B) models, by recycling checkpoints that exhibit tradeoffs among different tasks. Such checkpoints are often created in the process of developing a frontier model, and many suboptimal ones are usually discarded. Given a pool of model checkpoints obtained from different training runs (e.g., different stages, objectives, hyperparameters, and data mixtures), which naturally show tradeoffs across different language capabilities (e.g., instruction following vs. code generation), we investigate whether merging can recycle such suboptimal models into a Pareto-optimal one. Our optimization algorithm tunes the weight of each checkpoint in a linear combination, resulting in a Pareto-optimal models that outperforms both individual models and merge-based baselines. Further analysis shows that good merges tend to include almost all checkpoints with with non-zero weights, indicating that even seemingly bad initial checkpoints can contribute to good final merges.

We propose PyTorchGeoNodes, a differentiable module for reconstructing 3D objects from images using interpretable shape programs. In comparison to traditional CAD model retrieval methods, the use of shape programs for 3D reconstruction allows for reasoning about the semantic properties of reconstructed objects, editing, low memory footprint, etc. However, the utilization of shape programs for 3D scene understanding has been largely neglected in past works. As our main contribution, we enable gradient-based optimization by introducing a module that translates shape programs designed in Blender, for example, into efficient PyTorch code. We also provide a method that relies on PyTorchGeoNodes and is inspired by Monte Carlo Tree Search (MCTS) to jointly optimize discrete and continuous parameters of shape programs and reconstruct 3D objects for input scenes. In our experiments, we apply our algorithm to reconstruct 3D objects in the ScanNet dataset and evaluate our results against CAD model retrieval-based reconstructions. Our experiments indicate that our reconstructions match well the input scenes while enabling semantic reasoning about reconstructed objects.

Large language models (LLMs) have exhibited their problem-solving abilities in mathematical reasoning. Solving realistic optimization (OPT) problems in application scenarios requires advanced and applied mathematics ability. However, current OPT benchmarks that merely solve linear programming are far from complex realistic situations. In this work, we propose OptiBench, a benchmark for End-to-end optimization problem-solving with human-readable inputs and outputs. OptiBench contains rich optimization problems, including linear and nonlinear programming with or without tabular data, which can comprehensively evaluate LLMs' solving ability. In our benchmark, LLMs are required to call a code solver to provide precise numerical answers. Furthermore, to alleviate the data scarcity for optimization problems, and to bridge the gap between open-source LLMs on a small scale (e.g., Llama-3-8b) and closed-source LLMs (e.g., GPT-4), we further propose a data synthesis method namely ReSocratic. Unlike general data synthesis methods that proceed from questions to answers, \ReSocratic first incrementally synthesizes formatted optimization demonstration with mathematical formulations step by step and then back-translates the generated demonstrations into questions. Based on this, we synthesize the ReSocratic-29k dataset. We further conduct supervised fine-tuning with ReSocratic-29k on multiple open-source models. Experimental results show that ReSocratic-29k significantly improves the performance of open-source models.

Stochastic dual dynamic programming (SDDP) is a state-of-the-art method for solving multi-stage stochastic optimization, widely used for modeling real-world process optimization tasks. Unfortunately, SDDP has a worst-case complexity that scales exponentially in the number of decision variables, which severely limits applicability to only low dimensional problems. To overcome this limitation, we extend SDDP by introducing a trainable neural model that learns to map problem instances to a piece-wise linear value function within intrinsic low-dimension space, which is architected specifically to interact with a base SDDP solver, so that can accelerate optimization performance on new instances. The proposed Neural Stochastic Dual Dynamic Programming (nu-SDDP) continually self-improves by solving successive problems. An empirical investigation demonstrates that nu-SDDP can significantly reduce problem solving cost without sacrificing solution quality over competitors such as SDDP and reinforcement learning algorithms, across a range of synthetic and real-world process optimization problems.

Robust optimization provides a mathematical framework for modeling and solving decision-making problems under worst-case uncertainty. This work addresses two-stage robust optimization (2RO) problems (also called adjustable robust optimization), wherein first-stage and second-stage decisions are made before and after uncertainty is realized, respectively. This results in a nested min-max-min optimization problem which is extremely challenging computationally, especially when the decisions are discrete. We propose Neur2RO, an efficient machine learning-driven instantiation of column-and-constraint generation (CCG), a classical iterative algorithm for 2RO. Specifically, we learn to estimate the value function of the second-stage problem via a novel neural network architecture that is easy to optimize over by design. Embedding our neural network into CCG yields high-quality solutions quickly as evidenced by experiments on two 2RO benchmarks, knapsack and capital budgeting. For knapsack, Neur2RO finds solutions that are within roughly 2% of the best-known values in a few seconds compared to the three hours of the state-of-the-art exact branch-and-price algorithm; for larger and more complex instances, Neur2RO finds even better solutions. For capital budgeting, Neur2RO outperforms three variants of the k-adaptability algorithm, particularly on the largest instances, with a 10 to 100-fold reduction in solution time. Our code and data are available at https://github.com/khalil-research/Neur2RO.

The Mixture-of-Experts (MoE) paradigm has emerged as a powerful approach for scaling transformers with improved resource utilization. However, efficiently fine-tuning MoE models remains largely underexplored. Inspired by recent works on Parameter-Efficient Fine-Tuning (PEFT), we present a unified framework for integrating PEFT modules directly into the MoE mechanism. Aligning with the core principles and architecture of MoE, our framework encompasses a set of design dimensions including various functional and composition strategies. By combining design choices within our framework, we introduce Parameter-Efficient Routed Fine-Tuning (PERFT) as a flexible and scalable family of PEFT strategies tailored for MoE models. Extensive experiments on adapting OLMoE-1B-7B and Mixtral-8times7B for commonsense and arithmetic reasoning tasks demonstrate the effectiveness, scalability, and intriguing dynamics of PERFT. Additionally, we provide empirical findings for each specific design choice to facilitate better application of MoE and PEFT.

CodeLLMs have demonstrated remarkable advancements in software engineering tasks. However, while these models can generate functionally correct code, they often produce code that is inefficient in terms of runtime. This inefficiency is particularly problematic in resource-constrained environments, impacting software performance and sustainability. Existing approaches for optimizing code efficiency for CodeLLMs like SOAP and PIE exhibit certain limitations. SOAP requires a compatible execution environment and predefined test cases for iterative code modification, while PIE focuses on instruction tuning, improving efficiency but compromising correctness. These shortcomings highlight the need for a fine-tuning framework that optimizes both efficiency and correctness without relying on predefined test cases or specific execution environments. To bridge this gap, we introduce ACECode, a reinforcement learning-based fine-tuning framework that aligns CodeLLMs with dual objectives of efficiency and correctness. ACECode combines three key steps: (1) generating code with an actor CodeLLM, (2) calculating a training-free reward signal derived from code execution feedback for each generated code, and (3) optimizing the CodeLLM via Proximal Policy Optimization (PPO) algorithm. This reward signal enables joint assessment of efficiency and correctness without manual labeling. We evaluate ACECode by fine-tuning four SOTA (state-of-the-art) CodeLLMs and comparing their code with three baselines: original, instruction-tuned, and PIE-tuned CodeLLMs. Extensive experiment results suggest that significantly improves the efficiency and correctness of generated code against all baselines for all CodeLLMs. Specifically, CodeLLMs fine-tuned with ACECode improve pass@1 by 1.84% to 14.51% and reduce runtime in 65% to 72% of cases compared to original CodeLLMs.

The core challenge of high-dimensional and expensive black-box optimization (BBO) is how to obtain better performance faster with little function evaluation cost. The essence of the problem is how to design an efficient optimization strategy tailored to the target task. This paper designs a powerful optimization framework to automatically learn the optimization strategies from the target or cheap surrogate task without human intervention. However, current methods are weak for this due to poor representation of optimization strategy. To achieve this, 1) drawing on the mechanism of genetic algorithm, we propose a deep neural network framework called B2Opt, which has a stronger representation of optimization strategies based on survival of the fittest; 2) B2Opt can utilize the cheap surrogate functions of the target task to guide the design of the efficient optimization strategies. Compared to the state-of-the-art BBO baselines, B2Opt can achieve multiple orders of magnitude performance improvement with less function evaluation cost. We validate our proposal on high-dimensional synthetic functions and two real-world applications. We also find that deep B2Opt performs better than shallow ones.

Combinatorial optimization (CO) is naturally discrete, making machine learning based on differentiable optimization inapplicable. Karalias & Loukas (2020) adapted the probabilistic method to incorporate CO into differentiable optimization. Their work ignited the research on unsupervised learning for CO, composed of two main components: probabilistic objectives and derandomization. However, each component confronts unique challenges. First, deriving objectives under various conditions (e.g., cardinality constraints and minimum) is nontrivial. Second, the derandomization process is underexplored, and the existing derandomization methods are either random sampling or naive rounding. In this work, we aim to tackle prevalent (i.e., commonly involved) conditions in unsupervised CO. First, we concretize the targets for objective construction and derandomization with theoretical justification. Then, for various conditions commonly involved in different CO problems, we derive nontrivial objectives and derandomization to meet the targets. Finally, we apply the derivations to various CO problems. Via extensive experiments on synthetic and real-world graphs, we validate the correctness of our derivations and show our empirical superiority w.r.t. both optimization quality and speed.

Imposing known physical constraints, such as conservation laws, during neural network training introduces an inductive bias that can improve accuracy, reliability, convergence, and data efficiency for modeling physical dynamics. While such constraints can be softly imposed via loss function penalties, recent advancements in differentiable physics and optimization improve performance by incorporating PDE-constrained optimization as individual layers in neural networks. This enables a stricter adherence to physical constraints. However, imposing hard constraints significantly increases computational and memory costs, especially for complex dynamical systems. This is because it requires solving an optimization problem over a large number of points in a mesh, representing spatial and temporal discretizations, which greatly increases the complexity of the constraint. To address this challenge, we develop a scalable approach to enforce hard physical constraints using Mixture-of-Experts (MoE), which can be used with any neural network architecture. Our approach imposes the constraint over smaller decomposed domains, each of which is solved by an "expert" through differentiable optimization. During training, each expert independently performs a localized backpropagation step by leveraging the implicit function theorem; the independence of each expert allows for parallelization across multiple GPUs. Compared to standard differentiable optimization, our scalable approach achieves greater accuracy in the neural PDE solver setting for predicting the dynamics of challenging non-linear systems. We also improve training stability and require significantly less computation time during both training and inference stages.

Mixed-integer programming (MIP) is a powerful paradigm for modeling and solving various important combinatorial optimization problems. Recently, learning-based approaches have shown a potential to speed up MIP solving via offline training that then guides important design decisions during the search. However, a significant drawback of these methods is their heavy reliance on offline training, which requires collecting training datasets and computationally costly training epochs yet offering only limited generalization to unseen (larger) instances. In this paper, we propose Balans, an adaptive meta-solver for MIPs with online learning capability that does not require any supervision or apriori training. At its core, Balans is based on adaptive large-neighborhood search, operating on top of an MIP solver by successive applications of destroy and repair neighborhood operators. During the search, the selection among different neighborhood definitions is guided on the fly for the instance at hand via multi-armed bandit algorithms. Our extensive experiments on hard optimization instances show that Balans offers significant performance gains over the default MIP solver, is better than committing to any single best neighborhood, and improves over the state-of-the-art large-neighborhood search for MIPs. Finally, we release Balans as a highly configurable, MIP solver agnostic, open-source software.

Maximizing monotone submodular functions under a matroid constraint is a classic algorithmic problem with multiple applications in data mining and machine learning. We study this classic problem in the fully dynamic setting, where elements can be both inserted and deleted in real-time. Our main result is a randomized algorithm that maintains an efficient data structure with an O(k^2) amortized update time (in the number of additions and deletions) and yields a 4-approximate solution, where k is the rank of the matroid.

We study the learning dynamics of self-predictive learning for reinforcement learning, a family of algorithms that learn representations by minimizing the prediction error of their own future latent representations. Despite its recent empirical success, such algorithms have an apparent defect: trivial representations (such as constants) minimize the prediction error, yet it is obviously undesirable to converge to such solutions. Our central insight is that careful designs of the optimization dynamics are critical to learning meaningful representations. We identify that a faster paced optimization of the predictor and semi-gradient updates on the representation, are crucial to preventing the representation collapse. Then in an idealized setup, we show self-predictive learning dynamics carries out spectral decomposition on the state transition matrix, effectively capturing information of the transition dynamics. Building on the theoretical insights, we propose bidirectional self-predictive learning, a novel self-predictive algorithm that learns two representations simultaneously. We examine the robustness of our theoretical insights with a number of small-scale experiments and showcase the promise of the novel representation learning algorithm with large-scale experiments.

Performance of machine learning algorithms depends critically on identifying a good set of hyperparameters. While recent approaches use Bayesian optimization to adaptively select configurations, we focus on speeding up random search through adaptive resource allocation and early-stopping. We formulate hyperparameter optimization as a pure-exploration non-stochastic infinite-armed bandit problem where a predefined resource like iterations, data samples, or features is allocated to randomly sampled configurations. We introduce a novel algorithm, Hyperband, for this framework and analyze its theoretical properties, providing several desirable guarantees. Furthermore, we compare Hyperband with popular Bayesian optimization methods on a suite of hyperparameter optimization problems. We observe that Hyperband can provide over an order-of-magnitude speedup over our competitor set on a variety of deep-learning and kernel-based learning problems.

Diffusion models achieve remarkable generation quality but suffer from computational intensive sampling due to suboptimal step discretization. While existing works focus on optimizing denoising directions, we address the principled design of stepsize schedules. This paper proposes Optimal Stepsize Distillation, a dynamic programming framework that extracts theoretically optimal schedules by distilling knowledge from reference trajectories. By reformulating stepsize optimization as recursive error minimization, our method guarantees global discretization bounds through optimal substructure exploitation. Crucially, the distilled schedules demonstrate strong robustness across architectures, ODE solvers, and noise schedules. Experiments show 10x accelerated text-to-image generation while preserving 99.4% performance on GenEval. Our code is available at https://github.com/bebebe666/OptimalSteps.

We define a new class of set functions that in addition to being monotone and subadditive, also admit a very limited form of submodularity defined over a permutation of the ground set. We refer to this permutation as a submodular order. This class of functions includes monotone submodular functions as a sub-family. To understand the importance of this structure in optimization problems we consider the problem of maximizing function value under various types of constraints. To demonstrate the modeling power of submodular order functions we show applications in two different settings. First, we apply our results to the extensively studied problem of assortment optimization. While the objectives in assortment optimization are known to be non-submodular (and non-monotone) even for simple choice models, we show that they are compatible with the notion of submodular order. Consequently, we obtain new and in some cases the first constant factor guarantee for constrained assortment optimization in fundamental choice models. As a second application of submodular order functions, we show an intriguing connection to the maximization of monotone submodular functions in the streaming model. We recover some best known guarantees for this problem as a corollary of our results.

Combinatorial optimization problems involving multiple agents are notoriously challenging due to their NP-hard nature and the necessity for effective agent coordination. Despite advancements in learning-based methods, existing approaches often face critical limitations, including suboptimal agent coordination, poor generalizability, and high computational latency. To address these issues, we propose Parallel AutoRegressive Combinatorial Optimization (PARCO), a reinforcement learning framework designed to construct high-quality solutions for multi-agent combinatorial tasks efficiently. To this end, PARCO integrates three key components: (1) transformer-based communication layers to enable effective agent collaboration during parallel solution construction, (2) a multiple pointer mechanism for low-latency, parallel agent decision-making, and (3) priority-based conflict handlers to resolve decision conflicts via learned priorities. We evaluate PARCO in multi-agent vehicle routing and scheduling problems where our approach outperforms state-of-the-art learning methods and demonstrates strong generalization ability and remarkable computational efficiency. Code available at: https://github.com/ai4co/parco.

In deep learning, performance is strongly affected by the choice of architecture and hyperparameters. While there has been extensive work on automatic hyperparameter optimization for simple spaces, complex spaces such as the space of deep architectures remain largely unexplored. As a result, the choice of architecture is done manually by the human expert through a slow trial and error process guided mainly by intuition. In this paper we describe a framework for automatically designing and training deep models. We propose an extensible and modular language that allows the human expert to compactly represent complex search spaces over architectures and their hyperparameters. The resulting search spaces are tree-structured and therefore easy to traverse. Models can be automatically compiled to computational graphs once values for all hyperparameters have been chosen. We can leverage the structure of the search space to introduce different model search algorithms, such as random search, Monte Carlo tree search (MCTS), and sequential model-based optimization (SMBO). We present experiments comparing the different algorithms on CIFAR-10 and show that MCTS and SMBO outperform random search. In addition, these experiments show that our framework can be used effectively for model discovery, as it is possible to describe expressive search spaces and discover competitive models without much effort from the human expert. Code for our framework and experiments has been made publicly available.

The structure learning problem consists of fitting data generated by a Directed Acyclic Graph (DAG) to correctly reconstruct its arcs. In this context, differentiable approaches constrain or regularize the optimization problem using a continuous relaxation of the acyclicity property. The computational cost of evaluating graph acyclicity is cubic on the number of nodes and significantly affects scalability. In this paper we introduce COSMO, a constraint-free continuous optimization scheme for acyclic structure learning. At the core of our method, we define a differentiable approximation of an orientation matrix parameterized by a single priority vector. Differently from previous work, our parameterization fits a smooth orientation matrix and the resulting acyclic adjacency matrix without evaluating acyclicity at any step. Despite the absence of explicit constraints, we prove that COSMO always converges to an acyclic solution. In addition to being asymptotically faster, our empirical analysis highlights how COSMO performance on graph reconstruction compares favorably with competing structure learning methods.

We propose LGGPT, an LLM-based model tailored for unified layout generation. First, we propose Arbitrary Layout Instruction (ALI) and Universal Layout Response (ULR) as the uniform I/O template. ALI accommodates arbitrary layout generation task inputs across multiple layout domains, enabling LGGPT to unify both task-generic and domain-generic layout generation hitherto unexplored. Collectively, ALI and ULR boast a succinct structure that forgoes superfluous tokens typically found in existing HTML-based formats, facilitating efficient instruction tuning and boosting unified generation performance. In addition, we propose an Interval Quantization Encoding (IQE) strategy that compresses ALI into a more condensed structure. IQE precisely preserves valid layout clues while eliminating the less informative placeholders, facilitating LGGPT to capture complex and variable layout generation conditions during the unified training process. Experimental results demonstrate that LGGPT achieves superior or on par performance compared to existing methods. Notably, LGGPT strikes a prominent balance between proficiency and efficiency with a compact 1.5B parameter LLM, which beats prior 7B or 175B models even in the most extensive and challenging unified scenario. Furthermore, we underscore the necessity of employing LLMs for unified layout generation and suggest that 1.5B could be an optimal parameter size by comparing LLMs of varying scales. Code is available at https://github.com/NiceRingNode/LGGPT.

There has been a large literature of neural architecture search, but most existing work made use of heuristic rules that largely constrained the search flexibility. In this paper, we first relax these manually designed constraints and enlarge the search space to contain more than 10^{160} candidates. In the new space, most existing differentiable search methods can fail dramatically. We then propose a novel algorithm named Gradual One-Level Differentiable Neural Architecture Search (GOLD-NAS) which introduces a variable resource constraint to one-level optimization so that the weak operators are gradually pruned out from the super-network. In standard image classification benchmarks, GOLD-NAS can find a series of Pareto-optimal architectures within a single search procedure. Most of the discovered architectures were never studied before, yet they achieve a nice tradeoff between recognition accuracy and model complexity. We believe the new space and search algorithm can advance the search of differentiable NAS.

Reinforcement learning is essential for neural architecture search and hyperparameter optimization, but the conventional approaches impede widespread use due to prohibitive time and computational costs. Inspired by DeepSeek-V3 multi-token prediction architecture, we propose Sequential Policy Gradient modeling (SPG), a novel trajectory generation paradigm for lightweight online hyperparameter optimization. In contrast to conventional policy gradient methods, SPG extends the base model with temporary modules, enabling it to generate state-action (padded) trajectories in a single forward pass. Our experiments demonstrate that models gain performance when retrained with SPG on their original datasets and also outperform standard transfer fine-tuning. We evaluate on five datasets spanning computer vision (ImageNet, COCO), natural language processing (GLUE, SQuAD), and audio (SUPERB) to assess the industrial applicability of SPG. The proposed method demonstrates consistent improvements across widely adopted models, achieving performance gains of +0.2sim7%, with significantly low computational costs. Fully reproducible code and pre-trained models: https://huggingface.co/UniversalAlgorithmic/SPG.

The Mixture of Experts (MoE) is a widely known neural architecture where an ensemble of specialized sub-models optimizes overall performance with a constant computational cost. However, conventional MoEs pose challenges at scale due to the need to store all experts in memory. In this paper, we push MoE to the limit. We propose extremely parameter-efficient MoE by uniquely combining MoE architecture with lightweight experts.Our MoE architecture outperforms standard parameter-efficient fine-tuning (PEFT) methods and is on par with full fine-tuning by only updating the lightweight experts -- less than 1% of an 11B parameters model. Furthermore, our method generalizes to unseen tasks as it does not depend on any prior task knowledge. Our research underscores the versatility of the mixture of experts architecture, showcasing its ability to deliver robust performance even when subjected to rigorous parameter constraints. Our code used in all the experiments is publicly available here: https://github.com/for-ai/parameter-efficient-moe.

Tool-integrated reasoning (TIR) augments large language models (LLMs) with the ability to invoke external tools, such as search engines and code interpreters, to solve tasks beyond the capabilities of language-only reasoning. While reinforcement learning (RL) has shown promise in improving TIR by optimizing final answer correctness, existing approaches often overlook the efficiency and cost associated with tool usage. This can lead to suboptimal behavior, including excessive tool calls that increase computational and financial overhead, or insufficient tool use that compromises answer quality. In this work, we propose Optimal Tool Call-controlled Policy Optimization (OTC-PO), a simple yet effective RL-based framework that encourages models to produce accurate answers with minimal tool calls. Our method introduces a tool-integrated reward that jointly considers correctness and tool efficiency, promoting high tool productivity. We instantiate this framework within both Proximal Policy Optimization (PPO) and Group Relative Preference Optimization (GRPO), resulting in OTC-PPO and OTC-GRPO. Experiments with Qwen-2.5 and Qwen-Math across multiple QA benchmarks show that our approach reduces tool calls by up to 73.1\% and improves tool productivity by up to 229.4\%, while maintaining comparable answer accuracy. To the best of our knowledge, this is the first RL-based framework that explicitly optimizes tool-use efficiency in TIR.

The growing prevalence of Large Language Models (LLMs) and their substantial memory requirements have prompted renewed interest in CPU offloading as a method to compensate for limited GPU memory. In particular, when CPU memory is leveraged to temporarily store intermediate states of LLMs, CPU memory becomes a new bottleneck and soon reaches the capacity limitation of commodity CPUs. In this work, we investigate the effectiveness of Compute Express Link (CXL) add-in card (AIC) memory as an extension to CPU memory, enabling larger model sizes and longer context lengths during fine-tuning. Through extensive benchmarking, this study quantifies the performance overhead introduced by transferring data between CXL memory, CPU, and GPUs, focusing on how concurrency and data volume influence bandwidth utilization and latency. This study also compares CPUbased optimizer steps when model parameters, gradients, and optimizer states reside in local memory versus CXL memory, revealing that naive adoption of CXL often degrades performance during the optimizer phase. To overcome these challenges, this study proposes a CXL-aware allocation to strategically partition CPU offloading workloads across both local and CXL memory. This study further demonstrates that employing multiple AICs significantly reduces bandwidth contention, thus improving scalability. Experimental results show that these optimizations enable efficient long-context LLM fine-tuning, underscoring CXL as a promising avenue for unlocking the full potential of CPU offloading in long-context LLM fine-tuning.

While Transformers and other sequence-parallelizable neural network architectures seem like the current state of the art in sequence modeling, they specifically lack state-tracking capabilities. These are important for time-series tasks and logical reasoning. Traditional RNNs like LSTMs and GRUs, as well as modern variants like sLSTM do have these capabilities at the cost of strictly sequential processing. While this is often seen as a strong limitation, we show how fast these networks can get with our hardware-optimization FlashRNN in Triton and CUDA, optimizing kernels to the register level on modern GPUs. We extend traditional RNNs with a parallelization variant that processes multiple RNNs of smaller hidden state in parallel, similar to the head-wise processing in Transformers. To enable flexibility on different GPU variants, we introduce a new optimization framework for hardware-internal cache sizes, memory and compute handling. It models the hardware in a setting using polyhedral-like constraints, including the notion of divisibility. This speeds up the solution process in our ConstrINT library for general integer constraint satisfaction problems (integer CSPs). We show that our kernels can achieve 50x speed-ups over a vanilla PyTorch implementation and allow 40x larger hidden sizes compared to our Triton implementation. Our open-source kernels and the optimization library are released here to boost research in the direction of state-tracking enabled RNNs and sequence modeling: https://github.com/NX-AI/flashrnn

We examine the connections between deterministic, complete, and general global optimisation of continuous functions and a general concept of regression from the perspective of constructive type theory via the concept of 'searchability'. We see how the property of convergence of global optimisation is a straightforward consequence of searchability. The abstract setting allows us to generalise searchability and continuity to higher-order functions, so that we can formulate novel convergence criteria for regression, derived from the convergence of global optimisation. All the theory and the motivating examples are fully formalised in the proof assistant Agda.

The higher-order correlation clustering problem is an expressive model, and recently, local search heuristics have been proposed for several applications. Certifying optimality, however, is NP-hard and practically hampered already by the complexity of the problem statement. Here, we focus on establishing partial optimality conditions for the special case of complete graphs and cubic objective functions. In addition, we define and implement algorithms for testing these conditions and examine their effect numerically, on two datasets.

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.

We demonstrate that Muon, the simplest instantiation of a second-order optimizer, explicitly expands the Pareto frontier over AdamW on the compute-time tradeoff. We find that Muon is more effective than AdamW in retaining data efficiency at large batch sizes, far beyond the so-called critical batch size, while remaining computationally efficient, thus enabling more economical training. We study the combination of Muon and the maximal update parameterization (muP) for efficient hyperparameter transfer and present a simple telescoping algorithm that accounts for all sources of error in muP while introducing only a modest overhead in resources. We validate our findings through extensive experiments with model sizes up to four billion parameters and ablations on the data distribution and architecture.

Tuning tensor program generation involves searching for various possible program transformation combinations for a given program on target hardware to optimize the tensor program execution. It is already a complex process because of the massive search space and exponential combinations of transformations make auto-tuning tensor program generation more challenging, especially when we have a heterogeneous target. In this research, we attempt to address these problems by learning the joint neural network and hardware features and transferring them to the new target hardware. We extensively study the existing state-of-the-art dataset, TenSet, perform comparative analysis on the test split strategies and propose methodologies to prune the dataset. We adopt an attention-inspired approach for tuning the tensor programs enabling them to embed neural network and hardware-specific features. Our approach could prune the dataset up to 45\% of the baseline without compromising the Pairwise Comparison Accuracy (PCA). Further, the proposed methodology can achieve on-par or improved mean inference time with 25%-40% of the baseline tuning time across different networks and target hardware.

Solving a linear system Ax=b is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter omega has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm--using only the number of iterations as feedback--can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed omega as the sequence length increases. Furthermore, when given additional structural information, we show that a contextual bandit method asymptotically achieves the performance of the instance-optimal policy, which selects the best omega for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

Enhancing the instruction-following ability of Large Language Models (LLMs) primarily demands substantial instruction-tuning datasets. However, the sheer volume of these imposes a considerable computational burden and annotation cost. To investigate a label-efficient instruction tuning method that allows the model itself to actively sample subsets that are equally or even more effective, we introduce a self-evolving mechanism DiverseEvol. In this process, a model iteratively augments its training subset to refine its own performance, without requiring any intervention from humans or more advanced LLMs. The key to our data sampling technique lies in the enhancement of diversity in the chosen subsets, as the model selects new data points most distinct from any existing ones according to its current embedding space. Extensive experiments across three datasets and benchmarks demonstrate the effectiveness of DiverseEvol. Our models, trained on less than 8% of the original dataset, maintain or improve performance compared with finetuning on full data. We also provide empirical evidence to analyze the importance of diversity in instruction data and the iterative scheme as opposed to one-time sampling. Our code is publicly available at https://github.com/OFA-Sys/DiverseEvol.git.

Optimization is a ubiquitous modeling tool and is often deployed in settings which repeatedly solve similar instances of the same problem. Amortized optimization methods use learning to predict the solutions to problems in these settings, exploiting the shared structure between similar problem instances. These methods have been crucial in variational inference and reinforcement learning and are capable of solving optimization problems many orders of magnitudes times faster than traditional optimization methods that do not use amortization. This tutorial presents an introduction to the amortized optimization foundations behind these advancements and overviews their applications in variational inference, sparse coding, gradient-based meta-learning, control, reinforcement learning, convex optimization, optimal transport, and deep equilibrium networks. The source code for this tutorial is available at https://github.com/facebookresearch/amortized-optimization-tutorial.

In real-world drug design, molecule optimization requires selectively improving multiple molecular properties up to pharmaceutically relevant levels, while maintaining others that already meet such criteria. However, existing computational approaches and instruction-tuned LLMs fail to capture such nuanced property-specific objectives, limiting their practical applicability. To address this, we introduce C-MuMOInstruct, the first instruction-tuning dataset focused on multi-property optimization with explicit, property-specific objectives. Leveraging C-MuMOInstruct, we develop GeLLMO-Cs, a series of instruction-tuned LLMs that can perform targeted property-specific optimization. Our experiments across 5 in-distribution and 5 out-of-distribution tasks show that GeLLMO-Cs consistently outperform strong baselines, achieving up to 126% higher success rate. Notably, GeLLMO-Cs exhibit impressive 0-shot generalization to novel optimization tasks and unseen instructions. This offers a step toward a foundational LLM to support realistic, diverse optimizations with property-specific objectives. C-MuMOInstruct and code are accessible through https://github.com/ninglab/GeLLMO-C.

Inverse design, where we seek to design input variables in order to optimize an underlying objective function, is an important problem that arises across fields such as mechanical engineering to aerospace engineering. Inverse design is typically formulated as an optimization problem, with recent works leveraging optimization across learned dynamics models. However, as models are optimized they tend to fall into adversarial modes, preventing effective sampling. We illustrate that by instead optimizing over the learned energy function captured by the diffusion model, we can avoid such adversarial examples and significantly improve design performance. We further illustrate how such a design system is compositional, enabling us to combine multiple different diffusion models representing subcomponents of our desired system to design systems with every specified component. In an N-body interaction task and a challenging 2D multi-airfoil design task, we demonstrate that by composing the learned diffusion model at test time, our method allows us to design initial states and boundary shapes that are more complex than those in the training data. Our method generalizes to more objects for N-body dataset and discovers formation flying to minimize drag in the multi-airfoil design task. Project website and code can be found at https://github.com/AI4Science-WestlakeU/cindm.

The performance of algorithms for neural architecture search strongly depends on the parametrization of the search space. We use contrastive learning to identify networks across different initializations based on their data Jacobians, and automatically produce the first architecture embeddings independent from the parametrization of the search space. Using our contrastive embeddings, we show that traditional black-box optimization algorithms, without modification, can reach state-of-the-art performance in Neural Architecture Search. As our method provides a unified embedding space, we perform for the first time transfer learning between search spaces. Finally, we show the evolution of embeddings during training, motivating future studies into using embeddings at different training stages to gain a deeper understanding of the networks in a search space.

Protein design, a grand challenge of the day, involves optimization on a fitness landscape, and leading methods adopt a model-based approach where a model is trained on a training set (protein sequences and fitness) and proposes candidates to explore next. These methods are challenged by sparsity of high-fitness samples in the training set, a problem that has been in the literature. A less recognized but equally important problem stems from the distribution of training samples in the design space: leading methods are not designed for scenarios where the desired optimum is in a region that is not only poorly represented in training data, but also relatively far from the highly represented low-fitness regions. We show that this problem of "separation" in the design space is a significant bottleneck in existing model-based optimization tools and propose a new approach that uses a novel VAE as its search model to overcome the problem. We demonstrate its advantage over prior methods in robustly finding improved samples, regardless of the imbalance and separation between low- and high-fitness training samples. Our comprehensive benchmark on real and semi-synthetic protein datasets as well as solution design for physics-informed neural networks, showcases the generality of our approach in discrete and continuous design spaces. Our implementation is available at https://github.com/sabagh1994/PGVAE.

Boosting the runtime performance of deep neural networks (DNNs) is critical due to their wide adoption in real-world tasks. Existing approaches to optimizing the tensor algebra expression of a DNN only consider expressions representable by a fixed set of predefined operators, missing possible optimization opportunities between general expressions. We propose OLLIE, the first derivation-based tensor program optimizer. OLLIE optimizes tensor programs by leveraging transformations between general tensor algebra expressions, enabling a significantly larger expression search space that includes those supported by prior work as special cases. OLLIE uses a hybrid derivation-based optimizer that effectively combines explorative and guided derivations to quickly discover highly optimized expressions. Evaluation on seven DNNs shows that OLLIE can outperform existing optimizers by up to 2.73times (1.46times on average) on an A100 GPU and up to 2.68times (1.51times) on a V100 GPU, respectively.

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.

Instruction tuning has recently been recognized as an effective way of aligning Large Language Models (LLMs) to enhance their generalization ability across various tasks. However, when tuning publicly accessible, centralized LLMs with private instruction data, privacy concerns are inevitable. While direct transfer of parameterized modules between models is a plausible approach to address this, its implications and effectiveness need further exploration. This paper focuses on Offsite-Tuning (OFT), a representative technique that transfers transformer blocks between centralized LLMs and downstream emulators. Given the limited understanding of the underlying mechanism of OFT, we perform an empirical analysis on LLMs from the perspectives of representation and functional similarity. Interestingly, our findings reveal a unique modular structure within the layers of LLMs that appears to emerge as the model size expands. Simultaneously, we note subtle but potentially significant changes in representation and intermediate predictions across the layers. Inspired by these observations, we propose CRaSh, involving Clustering, Removing, and Sharing, a training-free strategy to derive improved emulators from LLMs. CRaSh significantly boosts performance of OFT with billions of parameters. Furthermore, we investigate the optimal solutions yielded by fine-tuning with and without full model through the lens of loss landscape. Our findings demonstrate a linear connectivity among these optima falling over the same basin, thereby highlighting the effectiveness of CRaSh and OFT. The source code is publicly available at https://github.com/TsinghuaC3I/CRaSh.

The Neural Architecture Search (NAS) problem is typically formulated as a graph search problem where the goal is to learn the optimal operations over edges in order to maximise a graph-level global objective. Due to the large architecture parameter space, efficiency is a key bottleneck preventing NAS from its practical use. In this paper, we address the issue by framing NAS as a multi-agent problem where agents control a subset of the network and coordinate to reach optimal architectures. We provide two distinct lightweight implementations, with reduced memory requirements (1/8th of state-of-the-art), and performances above those of much more computationally expensive methods. Theoretically, we demonstrate vanishing regrets of the form O(sqrt(T)), with T being the total number of rounds. Finally, aware that random search is an, often ignored, effective baseline we perform additional experiments on 3 alternative datasets and 2 network configurations, and achieve favourable results in comparison.

Dealing with multi-task trade-offs during inference can be addressed via Pareto Front Learning (PFL) methods that parameterize the Pareto Front with a single model, contrary to traditional Multi-Task Learning (MTL) approaches that optimize for a single trade-off which has to be decided prior to training. However, recent PFL methodologies suffer from limited scalability, slow convergence and excessive memory requirements compared to MTL approaches while exhibiting inconsistent mappings from preference space to objective space. In this paper, we introduce PaLoRA, a novel parameter-efficient method that augments the original model with task-specific low-rank adapters and continuously parameterizes the Pareto Front in their convex hull. Our approach dedicates the original model and the adapters towards learning general and task-specific features, respectively. Additionally, we propose a deterministic sampling schedule of preference vectors that reinforces this division of labor, enabling faster convergence and scalability to real world networks. Our experimental results show that PaLoRA outperforms MTL and PFL baselines across various datasets, scales to large networks and provides a continuous parameterization of the Pareto Front, reducing the memory overhead 23.8-31.7 times compared with competing PFL baselines in scene understanding benchmarks.

Structural optimization is a popular method for designing objects such as bridge trusses, airplane wings, and optical devices. Unfortunately, the quality of solutions depends heavily on how the problem is parameterized. In this paper, we propose using the implicit bias over functions induced by neural networks to improve the parameterization of structural optimization. Rather than directly optimizing densities on a grid, we instead optimize the parameters of a neural network which outputs those densities. This reparameterization leads to different and often better solutions. On a selection of 116 structural optimization tasks, our approach produces the best design 50% more often than the best baseline method.

While most current approaches rely on further training techniques, such as fine-tuning or reinforcement learning, to enhance model capacities, model merging stands out for its ability of improving models without requiring any additional training. In this paper, we propose a unified framework for model merging based on low-rank estimation of task vectors without the need for access to the base model, named LoRE-Merging. Our approach is motivated by the observation that task vectors from fine-tuned models frequently exhibit a limited number of dominant singular values, making low-rank estimations less prone to interference. We implement the method by formulating the merging problem as an optimization problem. Extensive empirical experiments demonstrate the effectiveness of our framework in mitigating interference and preserving task-specific information, thereby advancing the state-of-the-art performance in model merging techniques.

Neural Architecture Search is a costly practice. The fact that a search space can span a vast number of design choices with each architecture evaluation taking nontrivial overhead makes it hard for an algorithm to sufficiently explore candidate networks. In this paper, we propose AutoBuild, a scheme which learns to align the latent embeddings of operations and architecture modules with the ground-truth performance of the architectures they appear in. By doing so, AutoBuild is capable of assigning interpretable importance scores to architecture modules, such as individual operation features and larger macro operation sequences such that high-performance neural networks can be constructed without any need for search. Through experiments performed on state-of-the-art image classification, segmentation, and Stable Diffusion models, we show that by mining a relatively small set of evaluated architectures, AutoBuild can learn to build high-quality architectures directly or help to reduce search space to focus on relevant areas, finding better architectures that outperform both the original labeled ones and ones found by search baselines. Code available at https://github.com/Ascend-Research/AutoBuild

While fine-tuning large language models (LLMs) for specific tasks often yields impressive results, it comes at the cost of memory inefficiency due to back-propagation in gradient-based training. Memory-efficient Zeroth-order (MeZO) optimizers, recently proposed to address this issue, only require forward passes during training, making them more memory-friendly. However, the quality of gradient estimates in zeroth order optimization often depends on the data dimensionality, potentially explaining why MeZO still exhibits significant performance drops compared to standard fine-tuning across various tasks. Inspired by the success of Parameter-Efficient Fine-Tuning (PEFT), this paper introduces Sparse MeZO, a novel memory-efficient zeroth-order optimization approach that applies ZO only to a carefully chosen subset of parameters. We propose a simple yet effective parameter selection scheme that yields significant performance gains with Sparse-MeZO. Additionally, we develop a memory-optimized implementation for sparse masking, ensuring the algorithm requires only inference-level memory consumption, allowing Sparse-MeZO to fine-tune LLaMA-30b on a single A100 GPU. Experimental results illustrate that Sparse-MeZO consistently improves both performance and convergence speed over MeZO without any overhead. For example, it achieves a 9\% absolute accuracy improvement and 3.5x speedup over MeZO on the RTE task.

Large pretrained language models are widely used in downstream NLP tasks via task-specific fine-tuning, but such procedures can be costly. Recently, Parameter-Efficient Fine-Tuning (PEFT) methods have achieved strong task performance while updating a much smaller number of parameters compared to full model fine-tuning (FFT). However, it is non-trivial to make informed design choices on the PEFT configurations, such as their architecture, the number of tunable parameters, and even the layers in which the PEFT modules are inserted. Consequently, it is highly likely that the current, manually designed configurations are suboptimal in terms of their performance-efficiency trade-off. Inspired by advances in neural architecture search, we propose AutoPEFT for automatic PEFT configuration selection: we first design an expressive configuration search space with multiple representative PEFT modules as building blocks. Using multi-objective Bayesian optimisation in a low-cost setup, we then discover a Pareto-optimal set of configurations with strong performance-cost trade-offs across different numbers of parameters that are also highly transferable across different tasks. Empirically, on GLUE and SuperGLUE tasks, we show that AutoPEFT-discovered configurations significantly outperform existing PEFT methods and are on par or better than FFT, without incurring substantial training efficiency costs.

Program synthesis methods aim to automatically generate programs restricted to a language that can explain a given specification of input-output pairs. While purely symbolic approaches suffer from a combinatorial search space, recent methods leverage neural networks to learn distributions over program structures to narrow this search space significantly, enabling more efficient search. However, for challenging problems, it remains difficult to train models to perform program synthesis in one shot, making test-time search essential. Most neural methods lack structured search mechanisms during inference, relying instead on stochastic sampling or gradient updates, which can be inefficient. In this work, we propose the Latent Program Network (LPN), a general algorithm for program induction that learns a distribution over latent programs in a continuous space, enabling efficient search and test-time adaptation. We explore how to train these networks to optimize for test-time computation and demonstrate the use of gradient-based search both during training and at test time. We evaluate LPN on ARC-AGI, a program synthesis benchmark that evaluates performance by generalizing programs to new inputs rather than explaining the underlying specification. We show that LPN can generalize beyond its training distribution and adapt to unseen tasks by utilizing test-time computation, outperforming algorithms without test-time adaptation mechanisms.

In the realm of deep learning-based recommendation systems, the increasing computational demands, driven by the growing number of users and items, pose a significant challenge to practical deployment. This challenge is primarily twofold: reducing the model size while effectively learning user and item representations for efficient recommendations. Despite considerable advancements in model compression and architecture search, prevalent approaches face notable constraints. These include substantial additional computational costs from pre-training/re-training in model compression and an extensive search space in architecture design. Additionally, managing complexity and adhering to memory constraints is problematic, especially in scenarios with strict time or space limitations. Addressing these issues, this paper introduces a novel learning paradigm, Dynamic Sparse Learning (DSL), tailored for recommendation models. DSL innovatively trains a lightweight sparse model from scratch, periodically evaluating and dynamically adjusting each weight's significance and the model's sparsity distribution during the training. This approach ensures a consistent and minimal parameter budget throughout the full learning lifecycle, paving the way for "end-to-end" efficiency from training to inference. Our extensive experimental results underline DSL's effectiveness, significantly reducing training and inference costs while delivering comparable recommendation performance.

This work focuses on addressing two major challenges in the context of large-scale nonconvex Bi-Level Optimization (BLO) problems, which are increasingly applied in machine learning due to their ability to model nested structures. These challenges involve ensuring computational efficiency and providing theoretical guarantees. While recent advances in scalable BLO algorithms have primarily relied on lower-level convexity simplification, our work specifically tackles large-scale BLO problems involving nonconvexity in both the upper and lower levels. We simultaneously address computational and theoretical challenges by introducing an innovative single-loop gradient-based algorithm, utilizing the Moreau envelope-based reformulation, and providing non-asymptotic convergence analysis for general nonconvex BLO problems. Notably, our algorithm relies solely on first-order gradient information, enhancing its practicality and efficiency, especially for large-scale BLO learning tasks. We validate our approach's effectiveness through experiments on various synthetic problems, two typical hyper-parameter learning tasks, and a real-world neural architecture search application, collectively demonstrating its superior performance.

Scaling language models unlocks impressive capabilities, but the accompanying computational and memory demands make both training and deployment expensive. Existing efficiency efforts typically target either parameter sharing or adaptive computation, leaving open the question of how to attain both simultaneously. We introduce Mixture-of-Recursions (MoR), a unified framework that combines the two axes of efficiency inside a single Recursive Transformer. MoR reuses a shared stack of layers across recursion steps to achieve parameter efficiency, while lightweight routers enable adaptive token-level thinking by dynamically assigning different recursion depths to individual tokens. This allows MoR to focus quadratic attention computation only among tokens still active at a given recursion depth, further improving memory access efficiency by selectively caching only their key-value pairs. Beyond these core mechanisms, we also propose a KV sharing variant that reuses KV pairs from the first recursion, specifically designed to decrease prefill latency and memory footprint. Across model scales ranging from 135M to 1.7B parameters, MoR forms a new Pareto frontier: at equal training FLOPs and smaller model sizes, it significantly lowers validation perplexity and improves few-shot accuracy, while delivering higher throughput compared with vanilla and existing recursive baselines. These gains demonstrate that MoR is an effective path towards large-model quality without incurring large-model cost.

We study first-order methods with preconditioning for solving structured nonlinear convex optimization problems. We propose a new family of preconditioners generated by symmetric polynomials. They provide first-order optimization methods with a provable improvement of the condition number, cutting the gaps between highest eigenvalues, without explicit knowledge of the actual spectrum. We give a stochastic interpretation of this preconditioning in terms of coordinate volume sampling and compare it with other classical approaches, including the Chebyshev polynomials. We show how to incorporate a polynomial preconditioning into the Gradient and Fast Gradient Methods and establish the corresponding global complexity bounds. Finally, we propose a simple adaptive search procedure that automatically chooses the best possible polynomial preconditioning for the Gradient Method, minimizing the objective along a low-dimensional Krylov subspace. Numerical experiments confirm the efficiency of our preconditioning strategies for solving various machine learning problems.

Inverse reinforcement learning (IRL) offers a powerful and general framework for learning humans' latent preferences in route recommendation, yet no approach has successfully addressed planetary-scale problems with hundreds of millions of states and demonstration trajectories. In this paper, we introduce scaling techniques based on graph compression, spatial parallelization, and improved initialization conditions inspired by a connection to eigenvector algorithms. We revisit classic IRL methods in the routing context, and make the key observation that there exists a trade-off between the use of cheap, deterministic planners and expensive yet robust stochastic policies. This insight is leveraged in Receding Horizon Inverse Planning (RHIP), a new generalization of classic IRL algorithms that provides fine-grained control over performance trade-offs via its planning horizon. Our contributions culminate in a policy that achieves a 16-24% improvement in route quality at a global scale, and to the best of our knowledge, represents the largest published study of IRL algorithms in a real-world setting to date. We conclude by conducting an ablation study of key components, presenting negative results from alternative eigenvalue solvers, and identifying opportunities to further improve scalability via IRL-specific batching strategies.

Recently, an intriguing class of non-convex optimization problems has emerged in the context of learning directed acyclic graphs (DAGs). These problems involve minimizing a given loss or score function, subject to a non-convex continuous constraint that penalizes the presence of cycles in a graph. In this work, we delve into the optimization challenges associated with this class of non-convex programs. To address these challenges, we propose a bi-level algorithm that leverages the non-convex constraint in a novel way. The outer level of the algorithm optimizes over topological orders by iteratively swapping pairs of nodes within the topological order of a DAG. A key innovation of our approach is the development of an effective method for generating a set of candidate swapping pairs for each iteration. At the inner level, given a topological order, we utilize off-the-shelf solvers that can handle linear constraints. The key advantage of our proposed algorithm is that it is guaranteed to find a local minimum or a KKT point under weaker conditions compared to previous work and finds solutions with lower scores. Extensive experiments demonstrate that our method outperforms state-of-the-art approaches in terms of achieving a better score. Additionally, our method can also be used as a post-processing algorithm to significantly improve the score of other algorithms. Code implementing the proposed method is available at https://github.com/duntrain/topo.

Adaptive optimization methods are widely recognized as among the most popular approaches for training Deep Neural Networks (DNNs). Techniques such as Adam, AdaGrad, and AdaHessian utilize a preconditioner that modifies the search direction by incorporating information about the curvature of the objective function. However, despite their adaptive characteristics, these methods still require manual fine-tuning of the step-size. This, in turn, impacts the time required to solve a particular problem. This paper presents an optimization framework named SANIA to tackle these challenges. Beyond eliminating the need for manual step-size hyperparameter settings, SANIA incorporates techniques to address poorly scaled or ill-conditioned problems. We also explore several preconditioning methods, including Hutchinson's method, which approximates the Hessian diagonal of the loss function. We conclude with an extensive empirical examination of the proposed techniques across classification tasks, covering both convex and non-convex contexts.

Recent advances in Neural Architecture Search (NAS) which extract specialized hardware-aware configurations (a.k.a. "sub-networks") from a hardware-agnostic "super-network" have become increasingly popular. While considerable effort has been employed towards improving the first stage, namely, the training of the super-network, the search for derivative high-performing sub-networks is still largely under-explored. For example, some recent network morphism techniques allow a super-network to be trained once and then have hardware-specific networks extracted from it as needed. These methods decouple the super-network training from the sub-network search and thus decrease the computational burden of specializing to different hardware platforms. We propose a comprehensive system that automatically and efficiently finds sub-networks from a pre-trained super-network that are optimized to different performance metrics and hardware configurations. By combining novel search tactics and algorithms with intelligent use of predictors, we significantly decrease the time needed to find optimal sub-networks from a given super-network. Further, our approach does not require the super-network to be refined for the target task a priori, thus allowing it to interface with any super-network. We demonstrate through extensive experiments that our system works seamlessly with existing state-of-the-art super-network training methods in multiple domains. Moreover, we show how novel search tactics paired with evolutionary algorithms can accelerate the search process for ResNet50, MobileNetV3 and Transformer while maintaining objective space Pareto front diversity and demonstrate an 8x faster search result than the state-of-the-art Bayesian optimization WeakNAS approach.

We study a new connection between a technical measure called mu-conductance that arises in the study of Markov chains for sampling convex bodies and the network community profile that characterizes size-resolved properties of clusters and communities in social and information networks. The idea of mu-conductance is similar to the traditional graph conductance, but disregards sets with small volume. We derive a sequence of optimization problems including a low-rank semi-definite program from which we can derive a lower bound on the optimal mu-conductance value. These ideas give the first theoretically sound bound on the behavior of the network community profile for a wide range of cluster sizes. The algorithm scales up to graphs with hundreds of thousands of nodes and we demonstrate how our framework validates the predicted structures of real-world graphs.

Engineering design optimization seeks to automatically determine the shapes, topologies, or parameters of components that maximize performance under given conditions. This process often depends on physics-based simulations, which are difficult to install, computationally expensive, and require domain-specific expertise. To mitigate these challenges, we introduce EngiBench, the first open-source library and datasets spanning diverse domains for data-driven engineering design. EngiBench provides a unified API and a curated set of benchmarks -- covering aeronautics, heat conduction, photonics, and more -- that enable fair, reproducible comparisons of optimization and machine learning algorithms, such as generative or surrogate models. We also release EngiOpt, a companion library offering a collection of such algorithms compatible with the EngiBench interface. Both libraries are modular, letting users plug in novel algorithms or problems, automate end-to-end experiment workflows, and leverage built-in utilities for visualization, dataset generation, feasibility checks, and performance analysis. We demonstrate their versatility through experiments comparing state-of-the-art techniques across multiple engineering design problems, an undertaking that was previously prohibitively time-consuming to perform. Finally, we show that these problems pose significant challenges for standard machine learning methods due to highly sensitive and constrained design manifolds.

Runtime energy management has become quintessential for multi-sensor autonomous systems at the edge for achieving high performance given the platform constraints. Typical for such systems, however, is to have their controllers designed with formal guarantees on safety that precede in priority such optimizations, which in turn limits their application in real settings. In this paper, we propose a novel energy optimization framework that is aware of the autonomous system's safety state, and leverages it to regulate the application of energy optimization methods so that the system's formal safety properties are preserved. In particular, through the formal characterization of a system's safety state as a dynamic processing deadline, the computing workloads of the underlying models can be adapted accordingly. For our experiments, we model two popular runtime energy optimization methods, offloading and gating, and simulate an autonomous driving system (ADS) use-case in the CARLA simulation environment with performance characterizations obtained from the standard Nvidia Drive PX2 ADS platform. Our results demonstrate that through a formal awareness of the perceived risks in the test case scenario, energy efficiency gains are still achieved (reaching 89.9%) while maintaining the desired safety properties.

In Multi-Task Learning (MTL), tasks may compete and limit the performance achieved on each other, rather than guiding the optimization to a solution, superior to all its single-task trained counterparts. Since there is often not a unique solution optimal for all tasks, practitioners have to balance tradeoffs between tasks' performance, and resort to optimality in the Pareto sense. Most MTL methodologies either completely neglect this aspect, and instead of aiming at learning a Pareto Front, produce one solution predefined by their optimization schemes, or produce diverse but discrete solutions. Recent approaches parameterize the Pareto Front via neural networks, leading to complex mappings from tradeoff to objective space. In this paper, we conjecture that the Pareto Front admits a linear parameterization in parameter space, which leads us to propose Pareto Manifold Learning, an ensembling method in weight space. Our approach produces a continuous Pareto Front in a single training run, that allows to modulate the performance on each task during inference. Experiments on multi-task learning benchmarks, ranging from image classification to tabular datasets and scene understanding, show that Pareto Manifold Learning outperforms state-of-the-art single-point algorithms, while learning a better Pareto parameterization than multi-point baselines.

We propose a method for in-hand 3D scanning of an unknown object with a monocular camera. Our method relies on a neural implicit surface representation that captures both the geometry and the appearance of the object, however, by contrast with most NeRF-based methods, we do not assume that the camera-object relative poses are known. Instead, we simultaneously optimize both the object shape and the pose trajectory. As direct optimization over all shape and pose parameters is prone to fail without coarse-level initialization, we propose an incremental approach that starts by splitting the sequence into carefully selected overlapping segments within which the optimization is likely to succeed. We reconstruct the object shape and track its poses independently within each segment, then merge all the segments before performing a global optimization. We show that our method is able to reconstruct the shape and color of both textured and challenging texture-less objects, outperforms classical methods that rely only on appearance features, and that its performance is close to recent methods that assume known camera poses.

We study infinite-horizon average-reward Markov decision processes (AMDPs) in the context of general function approximation. Specifically, we propose a novel algorithmic framework named Local-fitted Optimization with OPtimism (LOOP), which incorporates both model-based and value-based incarnations. In particular, LOOP features a novel construction of confidence sets and a low-switching policy updating scheme, which are tailored to the average-reward and function approximation setting. Moreover, for AMDPs, we propose a novel complexity measure -- average-reward generalized eluder coefficient (AGEC) -- which captures the challenge of exploration in AMDPs with general function approximation. Such a complexity measure encompasses almost all previously known tractable AMDP models, such as linear AMDPs and linear mixture AMDPs, and also includes newly identified cases such as kernel AMDPs and AMDPs with Bellman eluder dimensions. Using AGEC, we prove that LOOP achieves a sublinear mathcal{O}(poly(d, sp(V^*)) Tbeta ) regret, where d and beta correspond to AGEC and log-covering number of the hypothesis class respectively, sp(V^*) is the span of the optimal state bias function, T denotes the number of steps, and mathcal{O} (cdot) omits logarithmic factors. When specialized to concrete AMDP models, our regret bounds are comparable to those established by the existing algorithms designed specifically for these special cases. To the best of our knowledge, this paper presents the first comprehensive theoretical framework capable of handling nearly all AMDPs.

Analog front-end design heavily relies on specialized human expertise and costly trial-and-error simulations, which motivated many prior works on analog design automation. However, efficient and effective exploration of the vast and complex design space remains constrained by the time-consuming nature of SPICE simulations, making effective design automation a challenging endeavor. In this paper, we introduce INSIGHT, a GPU-powered, technology-agnostic, effective universal neural simulator in the analog front-end design automation loop. INSIGHT accurately predicts the performance metrics of analog circuits across various technologies with just a few microseconds of inference time. Notably, its autoregressive capabilities enable INSIGHT to accurately predict simulation-costly critical transient specifications leveraging less expensive performance metric information. The low cost and high fidelity feature make INSIGHT a good substitute for standard simulators in analog front-end optimization frameworks. INSIGHT is compatible with any optimization framework, facilitating enhanced design space exploration for sample efficiency through sophisticated offline learning and adaptation techniques. Our experiments demonstrate that INSIGHT-M, a model-based batch reinforcement learning sizing framework with INSIGHT as the accurate surrogate, only requires < 20 real-time simulations with 100-1000x lower simulation costs and significant speedup over existing sizing methods.

Recent large language models (LLMs) have tended to leverage sparsity to reduce computations, employing the sparsely activated mixture-of-experts (MoE) technique. MoE introduces four modules, including token routing, token communication, expert computation, and expert parallelism, that impact model quality and training efficiency. To enable versatile usage of MoE models, we introduce FSMoE, a flexible training system optimizing task scheduling with three novel techniques: 1) Unified abstraction and online profiling of MoE modules for task scheduling across various MoE implementations. 2) Co-scheduling intra-node and inter-node communications with computations to minimize communication overheads. 3) To support near-optimal task scheduling, we design an adaptive gradient partitioning method for gradient aggregation and a schedule to adaptively pipeline communications and computations. We conduct extensive experiments with configured MoE layers and real-world MoE models on two GPU clusters. Experimental results show that 1) our FSMoE supports four popular types of MoE routing functions and is more efficient than existing implementations (with up to a 1.42times speedup), and 2) FSMoE outperforms the state-of-the-art MoE training systems (DeepSpeed-MoE and Tutel) by 1.18times-1.22times on 1458 MoE layers and 1.19times-3.01times on real-world MoE models based on GPT-2 and Mixtral using a popular routing function.

We consider minimizing functions for which it is expensive to compute the (possibly stochastic) gradient. Such functions are prevalent in reinforcement learning, imitation learning and adversarial training. Our target optimization framework uses the (expensive) gradient computation to construct surrogate functions in a target space (e.g. the logits output by a linear model for classification) that can be minimized efficiently. This allows for multiple parameter updates to the model, amortizing the cost of gradient computation. In the full-batch setting, we prove that our surrogate is a global upper-bound on the loss, and can be (locally) minimized using a black-box optimization algorithm. We prove that the resulting majorization-minimization algorithm ensures convergence to a stationary point of the loss. Next, we instantiate our framework in the stochastic setting and propose the SSO algorithm, which can be viewed as projected stochastic gradient descent in the target space. This connection enables us to prove theoretical guarantees for SSO when minimizing convex functions. Our framework allows the use of standard stochastic optimization algorithms to construct surrogates which can be minimized by any deterministic optimization method. To evaluate our framework, we consider a suite of supervised learning and imitation learning problems. Our experiments indicate the benefits of target optimization and the effectiveness of SSO.

We propose a delay-agnostic asynchronous coordinate update algorithm (DEGAS) for computing operator fixed points, with applications to asynchronous optimization. DEGAS includes novel asynchronous variants of ADMM and block-coordinate descent as special cases. We prove that DEGAS converges under both bounded and unbounded delays under delay-free parameter conditions. We also validate by theory and experiments that DEGAS adapts well to the actual delays. The effectiveness of DEGAS is demonstrated by numerical experiments on classification problems.

Scene flow estimation is a foundational task for many robotic applications, including robust dynamic object detection, automatic labeling, and sensor synchronization. Two types of approaches to the problem have evolved: 1) Supervised and 2) optimization-based methods. Supervised methods are fast during inference and achieve high-quality results, however, they are limited by the need for large amounts of labeled training data and are susceptible to domain gaps. In contrast, unsupervised test-time optimization methods do not face the problem of domain gaps but usually suffer from substantial runtime, exhibit artifacts, or fail to converge to the right solution. In this work, we mitigate several limitations of existing optimization-based methods. To this end, we 1) introduce a simple voxel grid-based model that improves over the standard MLP-based formulation in multiple dimensions and 2) introduce a new multiframe loss formulation. 3) We combine both contributions in our new method, termed Floxels. On the Argoverse 2 benchmark, Floxels is surpassed only by EulerFlow among unsupervised methods while achieving comparable performance at a fraction of the computational cost. Floxels achieves a massive speedup of more than ~60 - 140x over EulerFlow, reducing the runtime from a day to 10 minutes per sequence. Over the faster but low-quality baseline, NSFP, Floxels achieves a speedup of ~14x.

This work proposes a simple yet effective sampling framework for combinatorial optimization (CO). Our method builds on discrete Langevin dynamics (LD), an efficient gradient-guided generative paradigm. However, we observe that directly applying LD often leads to limited exploration. To overcome this limitation, we propose the Regularized Langevin Dynamics (RLD), which enforces an expected distance between the sampled and current solutions, effectively avoiding local minima. We develop two CO solvers on top of RLD, one based on simulated annealing (SA), and the other one based on neural network (NN). Empirical results on three classic CO problems demonstrate that both of our methods can achieve comparable or better performance against the previous state-of-the-art (SOTA) SA- and NN-based solvers. In particular, our SA algorithm reduces the runtime of the previous SOTA SA method by up to 80\%, while achieving equal or superior performance. In summary, RLD offers a promising framework for enhancing both traditional heuristics and NN models to solve CO problems. Our code is available at https://github.com/Shengyu-Feng/RLD4CO.

Creating accurate, physical simulations directly from real-world robot motion holds great value for safe, scalable, and affordable robot learning, yet remains exceptionally challenging. Real robot data suffers from occlusions, noisy camera poses, dynamic scene elements, which hinder the creation of geometrically accurate and photorealistic digital twins of unseen objects. We introduce a novel real-to-sim framework tackling all these challenges at once. Our key insight is a hybrid scene representation merging the photorealistic rendering of 3D Gaussian Splatting with explicit object meshes suitable for physics simulation within a single representation. We propose an end-to-end optimization pipeline that leverages differentiable rendering and differentiable physics within MuJoCo to jointly refine all scene components - from object geometry and appearance to robot poses and physical parameters - directly from raw and imprecise robot trajectories. This unified optimization allows us to simultaneously achieve high-fidelity object mesh reconstruction, generate photorealistic novel views, and perform annotation-free robot pose calibration. We demonstrate the effectiveness of our approach both in simulation and on challenging real-world sequences using an ALOHA 2 bi-manual manipulator, enabling more practical and robust real-to-simulation pipelines.

Current generative models, such as autoregressive and diffusion approaches, decompose high-dimensional data distribution learning into a series of simpler subtasks. However, inherent conflicts arise during the joint optimization of these subtasks, and existing solutions fail to resolve such conflicts without sacrificing efficiency or scalability. We propose a novel equivariant image modeling framework that inherently aligns optimization targets across subtasks by leveraging the translation invariance of natural visual signals. Our method introduces (1) column-wise tokenization which enhances translational symmetry along the horizontal axis, and (2) windowed causal attention which enforces consistent contextual relationships across positions. Evaluated on class-conditioned ImageNet generation at 256x256 resolution, our approach achieves performance comparable to state-of-the-art AR models while using fewer computational resources. Systematic analysis demonstrates that enhanced equivariance reduces inter-task conflicts, significantly improving zero-shot generalization and enabling ultra-long image synthesis. This work establishes the first framework for task-aligned decomposition in generative modeling, offering insights into efficient parameter sharing and conflict-free optimization. The code and models are publicly available at https://github.com/drx-code/EquivariantModeling.

Parameter regularization or allocation methods are effective in overcoming catastrophic forgetting in lifelong learning. However, they solve all tasks in a sequence uniformly and ignore the differences in the learning difficulty of different tasks. So parameter regularization methods face significant forgetting when learning a new task very different from learned tasks, and parameter allocation methods face unnecessary parameter overhead when learning simple tasks. In this paper, we propose the Parameter Allocation & Regularization (PAR), which adaptively select an appropriate strategy for each task from parameter allocation and regularization based on its learning difficulty. A task is easy for a model that has learned tasks related to it and vice versa. We propose a divergence estimation method based on the Nearest-Prototype distance to measure the task relatedness using only features of the new task. Moreover, we propose a time-efficient relatedness-aware sampling-based architecture search strategy to reduce the parameter overhead for allocation. Experimental results on multiple benchmarks demonstrate that, compared with SOTAs, our method is scalable and significantly reduces the model's redundancy while improving the model's performance. Further qualitative analysis indicates that PAR obtains reasonable task-relatedness.

Machine learning is a prevalent approach to tame the complexity of design space exploration for domain-specific architectures. Using ML for design space exploration poses challenges. First, it's not straightforward to identify the suitable algorithm from an increasing pool of ML methods. Second, assessing the trade-offs between performance and sample efficiency across these methods is inconclusive. Finally, lack of a holistic framework for fair, reproducible, and objective comparison across these methods hinders progress of adopting ML-aided architecture design space exploration and impedes creating repeatable artifacts. To mitigate these challenges, we introduce ArchGym, an open-source gym and easy-to-extend framework that connects diverse search algorithms to architecture simulators. To demonstrate utility, we evaluate ArchGym across multiple vanilla and domain-specific search algorithms in designing custom memory controller, deep neural network accelerators, and custom SoC for AR/VR workloads, encompassing over 21K experiments. Results suggest that with unlimited samples, ML algorithms are equally favorable to meet user-defined target specification if hyperparameters are tuned; no solution is necessarily better than another (e.g., reinforcement learning vs. Bayesian methods). We coin the term hyperparameter lottery to describe the chance for a search algorithm to find an optimal design provided meticulously selected hyperparameters. The ease of data collection and aggregation in ArchGym facilitates research in ML-aided architecture design space exploration. As a case study, we show this advantage by developing a proxy cost model with an RMSE of 0.61% that offers a 2,000-fold reduction in simulation time. Code and data for ArchGym is available at https://bit.ly/ArchGym.

The profiled vehicle routing problem (PVRP) is a generalization of the heterogeneous capacitated vehicle routing problem (HCVRP) in which the objective is to optimize the routes of vehicles to serve client demands subject to different vehicle profiles, with each having a preference or constraint on a per-client basis. While existing learning methods have shown promise for solving the HCVRP in real-time, no learning method exists to solve the more practical and challenging PVRP. In this paper, we propose a Collaborative Attention Model with Profiles (CAMP), a novel approach that learns efficient solvers for PVRP using multi-agent reinforcement learning. CAMP employs a specialized attention-based encoder architecture to embed profiled client embeddings in parallel for each vehicle profile. We design a communication layer between agents for collaborative decision-making across profiled embeddings at each decoding step and a batched pointer mechanism to attend to the profiled embeddings to evaluate the likelihood of the next actions. We evaluate CAMP on two variants of PVRPs: PVRP with preferences, which explicitly influence the reward function, and PVRP with zone constraints with different numbers of agents and clients, demonstrating that our learned solvers achieve competitive results compared to both classical state-of-the-art neural multi-agent models in terms of solution quality and computational efficiency. We make our code openly available at https://github.com/ai4co/camp.

The success of visual instruction tuning has accelerated the development of large language and vision models (LLVMs). Following the scaling laws of instruction-tuned large language models (LLMs), LLVMs either have further increased their sizes, reaching 26B, 34B, and even 80B parameters. While this increase in model size has yielded significant performance gains, it demands substantially more hardware resources for both training and inference. Consequently, there naturally exists a strong need for efficient LLVMs that achieve the performance of larger models while being smaller in size. To achieve this need, we present a new efficient LLVM family with model sizes of 0.5B, 1.8B, 3.8B, and 7B parameters, Phantom, which significantly enhances learning capabilities within limited structures. By temporarily increasing the latent hidden dimension during multi-head self-attention (MHSA), we make LLVMs prepare to look and understand much more vision-language knowledge on the latent, without substantially increasing physical model sizes. To maximize its advantage, we introduce Phantom Optimization (PO) using both autoregressive supervised fine-tuning (SFT) and direct preference optimization (DPO)-like concept, which effectively follows correct answers while eliminating incorrect and ambiguous ones. Phantom outperforms numerous larger open- and closed-source LLVMs, positioning itself as a leading solution in the landscape of efficient LLVMs.

Toward combining inductive reasoning with perception abilities, we develop techniques for neurosymbolic program synthesis where perceptual input is first parsed by neural nets into a low-dimensional interpretable representation, which is then processed by a synthesized program. We explore several techniques for relaxing the problem and jointly learning all modules end-to-end with gradient descent: multitask learning; amortized inference; overparameterization; and a differentiable strategy for penalizing lengthy programs. Collectedly this toolbox improves the stability of gradient-guided program search, and suggests ways of learning both how to perceive input as discrete abstractions, and how to symbolically process those abstractions as programs.

Large language models (LLMs) achieve remarkable performance in code generation tasks. However, a significant performance disparity persists between popular programming languages (e.g., Python, C++) and others. To address this capability gap, we leverage the code translation task to train LLMs, thereby facilitating the transfer of coding proficiency across diverse programming languages. Moreover, we introduce OORL for training, a novel reinforcement learning (RL) framework that integrates on-policy and off-policy strategies. Within OORL, on-policy RL is applied during code translation, guided by a rule-based reward signal derived from unit tests. Complementing this coarse-grained rule-based reward, we propose Group Equivalent Preference Optimization (GEPO), a novel preference optimization method. Specifically, GEPO trains the LLM using intermediate representations (IRs) groups. LLMs can be guided to discern IRs equivalent to the source code from inequivalent ones, while also utilizing signals about the mutual equivalence between IRs within the group. This process allows LLMs to capture nuanced aspects of code functionality. By employing OORL for training with code translation tasks, LLMs improve their recognition of code functionality and their understanding of the relationships between code implemented in different languages. Extensive experiments demonstrate that our OORL for LLMs training with code translation tasks achieves significant performance improvements on code benchmarks across multiple programming languages.

Training LLMs presents significant memory challenges due to growing size of data, weights, and optimizer states. Techniques such as data and model parallelism, gradient checkpointing, and offloading strategies address this issue but are often infeasible due to hardware constraints. To mitigate memory usage, alternative methods like Parameter-Efficient-Fine-Tuning (PEFT) and GaLore approximate weights or optimizer states. PEFT methods, such as LoRA, have gained popularity for fine-tuning LLMs, though they require a full-rank warm start. In contrast, GaLore allows full-parameter learning while being more memory-efficient. This work introduces Natural GaLore, a simple drop in replacement for AdamW, which efficiently applies the inverse Empirical Fisher Information Matrix to low-rank gradients using Woodbury's Identity. We demonstrate that incorporating second-order information speeds up optimization significantly, especially when the iteration budget is limited. Empirical pretraining on 60M, 130M, 350M, and 1.1B parameter Llama models on C4 data demonstrate significantly lower perplexity over GaLore without additional memory overhead. By fine-tuning RoBERTa on the GLUE benchmark using Natural GaLore, we demonstrate significant reduction in gap 86.05% vs 86.28% for full-finetuning. Furthermore, fine-tuning the TinyLlama 1.1B model for function calling using the TinyAgent framework shows that Natural GaLore achieving 83.09% accuracy on the TinyAgent dataset, significantly outperforms 16-bit LoRA at 80.06% and even surpasses GPT4-Turbo by 4%, all while using 30% less memory. All code to reproduce the results are available at: https://github.com/selfsupervised-ai/Natural-GaLore.git

The recently presented idea to learn heuristics for combinatorial optimization problems is promising as it can save costly development. However, to push this idea towards practical implementation, we need better models and better ways of training. We contribute in both directions: we propose a model based on attention layers with benefits over the Pointer Network and we show how to train this model using REINFORCE with a simple baseline based on a deterministic greedy rollout, which we find is more efficient than using a value function. We significantly improve over recent learned heuristics for the Travelling Salesman Problem (TSP), getting close to optimal results for problems up to 100 nodes. With the same hyperparameters, we learn strong heuristics for two variants of the Vehicle Routing Problem (VRP), the Orienteering Problem (OP) and (a stochastic variant of) the Prize Collecting TSP (PCTSP), outperforming a wide range of baselines and getting results close to highly optimized and specialized algorithms.

We describe an iterative procedure for optimizing policies, with guaranteed monotonic improvement. By making several approximations to the theoretically-justified procedure, we develop a practical algorithm, called Trust Region Policy Optimization (TRPO). This algorithm is similar to natural policy gradient methods and is effective for optimizing large nonlinear policies such as neural networks. Our experiments demonstrate its robust performance on a wide variety of tasks: learning simulated robotic swimming, hopping, and walking gaits; and playing Atari games using images of the screen as input. Despite its approximations that deviate from the theory, TRPO tends to give monotonic improvement, with little tuning of hyperparameters.