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Aug 6

Beyond Redundancy: Information-aware Unsupervised Multiplex Graph Structure Learning

Unsupervised Multiplex Graph Learning (UMGL) aims to learn node representations on various edge types without manual labeling. However, existing research overlooks a key factor: the reliability of the graph structure. Real-world data often exhibit a complex nature and contain abundant task-irrelevant noise, severely compromising UMGL's performance. Moreover, existing methods primarily rely on contrastive learning to maximize mutual information across different graphs, limiting them to multiplex graph redundant scenarios and failing to capture view-unique task-relevant information. In this paper, we focus on a more realistic and challenging task: to unsupervisedly learn a fused graph from multiple graphs that preserve sufficient task-relevant information while removing task-irrelevant noise. Specifically, our proposed Information-aware Unsupervised Multiplex Graph Fusion framework (InfoMGF) uses graph structure refinement to eliminate irrelevant noise and simultaneously maximizes view-shared and view-unique task-relevant information, thereby tackling the frontier of non-redundant multiplex graph. Theoretical analyses further guarantee the effectiveness of InfoMGF. Comprehensive experiments against various baselines on different downstream tasks demonstrate its superior performance and robustness. Surprisingly, our unsupervised method even beats the sophisticated supervised approaches. The source code and datasets are available at https://github.com/zxlearningdeep/InfoMGF.

How Does Information Bottleneck Help Deep Learning?

Numerous deep learning algorithms have been inspired by and understood via the notion of information bottleneck, where unnecessary information is (often implicitly) minimized while task-relevant information is maximized. However, a rigorous argument for justifying why it is desirable to control information bottlenecks has been elusive. In this paper, we provide the first rigorous learning theory for justifying the benefit of information bottleneck in deep learning by mathematically relating information bottleneck to generalization errors. Our theory proves that controlling information bottleneck is one way to control generalization errors in deep learning, although it is not the only or necessary way. We investigate the merit of our new mathematical findings with experiments across a range of architectures and learning settings. In many cases, generalization errors are shown to correlate with the degree of information bottleneck: i.e., the amount of the unnecessary information at hidden layers. This paper provides a theoretical foundation for current and future methods through the lens of information bottleneck. Our new generalization bounds scale with the degree of information bottleneck, unlike the previous bounds that scale with the number of parameters, VC dimension, Rademacher complexity, stability or robustness. Our code is publicly available at: https://github.com/xu-ji/information-bottleneck

MENTOR: Mixture-of-Experts Network with Task-Oriented Perturbation for Visual Reinforcement Learning

Visual deep reinforcement learning (RL) enables robots to acquire skills from visual input for unstructured tasks. However, current algorithms suffer from low sample efficiency, limiting their practical applicability. In this work, we present MENTOR, a method that improves both the architecture and optimization of RL agents. Specifically, MENTOR replaces the standard multi-layer perceptron (MLP) with a mixture-of-experts (MoE) backbone, enhancing the agent's ability to handle complex tasks by leveraging modular expert learning to avoid gradient conflicts. Furthermore, MENTOR introduces a task-oriented perturbation mechanism, which heuristically samples perturbation candidates containing task-relevant information, leading to more targeted and effective optimization. MENTOR outperforms state-of-the-art methods across three simulation domains -- DeepMind Control Suite, Meta-World, and Adroit. Additionally, MENTOR achieves an average of 83% success rate on three challenging real-world robotic manipulation tasks including peg insertion, cable routing, and tabletop golf, which significantly surpasses the success rate of 32% from the current strongest model-free visual RL algorithm. These results underscore the importance of sample efficiency in advancing visual RL for real-world robotics. Experimental videos are available at https://suninghuang19.github.io/mentor_page.

Mixture-of-Experts Meets In-Context Reinforcement Learning

In-context reinforcement learning (ICRL) has emerged as a promising paradigm for adapting RL agents to downstream tasks through prompt conditioning. However, two notable challenges remain in fully harnessing in-context learning within RL domains: the intrinsic multi-modality of the state-action-reward data and the diverse, heterogeneous nature of decision tasks. To tackle these challenges, we propose T2MIR (Token- and Task-wise MoE for In-context RL), an innovative framework that introduces architectural advances of mixture-of-experts (MoE) into transformer-based decision models. T2MIR substitutes the feedforward layer with two parallel layers: a token-wise MoE that captures distinct semantics of input tokens across multiple modalities, and a task-wise MoE that routes diverse tasks to specialized experts for managing a broad task distribution with alleviated gradient conflicts. To enhance task-wise routing, we introduce a contrastive learning method that maximizes the mutual information between the task and its router representation, enabling more precise capture of task-relevant information. The outputs of two MoE components are concatenated and fed into the next layer. Comprehensive experiments show that T2MIR significantly facilitates in-context learning capacity and outperforms various types of baselines. We bring the potential and promise of MoE to ICRL, offering a simple and scalable architectural enhancement to advance ICRL one step closer toward achievements in language and vision communities. Our code is available at https://github.com/NJU-RL/T2MIR.

Selective Visual Representations Improve Convergence and Generalization for Embodied AI

Embodied AI models often employ off the shelf vision backbones like CLIP to encode their visual observations. Although such general purpose representations encode rich syntactic and semantic information about the scene, much of this information is often irrelevant to the specific task at hand. This introduces noise within the learning process and distracts the agent's focus from task-relevant visual cues. Inspired by selective attention in humans-the process through which people filter their perception based on their experiences, knowledge, and the task at hand-we introduce a parameter-efficient approach to filter visual stimuli for embodied AI. Our approach induces a task-conditioned bottleneck using a small learnable codebook module. This codebook is trained jointly to optimize task reward and acts as a task-conditioned selective filter over the visual observation. Our experiments showcase state-of-the-art performance for object goal navigation and object displacement across 5 benchmarks, ProcTHOR, ArchitecTHOR, RoboTHOR, AI2-iTHOR, and ManipulaTHOR. The filtered representations produced by the codebook are also able generalize better and converge faster when adapted to other simulation environments such as Habitat. Our qualitative analyses show that agents explore their environments more effectively and their representations retain task-relevant information like target object recognition while ignoring superfluous information about other objects. Code and pretrained models are available at our project website: https://embodied-codebook.github.io.

Large Language Models with Controllable Working Memory

Large language models (LLMs) have led to a series of breakthroughs in natural language processing (NLP), owing to their excellent understanding and generation abilities. Remarkably, what further sets these models apart is the massive amounts of world knowledge they internalize during pretraining. While many downstream applications provide the model with an informational context to aid its performance on the underlying task, how the model's world knowledge interacts with the factual information presented in the context remains under explored. As a desirable behavior, an LLM should give precedence to the context whenever it contains task-relevant information that conflicts with the model's memorized knowledge. This enables model predictions to be grounded in the context, which can then be used to update or correct specific model predictions without frequent retraining. By contrast, when the context is irrelevant to the task, the model should ignore it and fall back on its internal knowledge. In this paper, we undertake a first joint study of the aforementioned two properties, namely controllability and robustness, in the context of LLMs. We demonstrate that state-of-the-art T5 and PaLM (both pretrained and finetuned) could exhibit poor controllability and robustness, which do not scale with increasing model size. As a solution, we propose a novel method - Knowledge Aware FineTuning (KAFT) - to strengthen both controllability and robustness by incorporating counterfactual and irrelevant contexts to standard supervised datasets. Our comprehensive evaluation showcases the utility of KAFT across model architectures and sizes.

DiffGraph: Heterogeneous Graph Diffusion Model

Recent advances in Graph Neural Networks (GNNs) have revolutionized graph-structured data modeling, yet traditional GNNs struggle with complex heterogeneous structures prevalent in real-world scenarios. Despite progress in handling heterogeneous interactions, two fundamental challenges persist: noisy data significantly compromising embedding quality and learning performance, and existing methods' inability to capture intricate semantic transitions among heterogeneous relations, which impacts downstream predictions. To address these fundamental issues, we present the Heterogeneous Graph Diffusion Model (DiffGraph), a pioneering framework that introduces an innovative cross-view denoising strategy. This advanced approach transforms auxiliary heterogeneous data into target semantic spaces, enabling precise distillation of task-relevant information. At its core, DiffGraph features a sophisticated latent heterogeneous graph diffusion mechanism, implementing a novel forward and backward diffusion process for superior noise management. This methodology achieves simultaneous heterogeneous graph denoising and cross-type transition, while significantly simplifying graph generation through its latent-space diffusion capabilities. Through rigorous experimental validation on both public and industrial datasets, we demonstrate that DiffGraph consistently surpasses existing methods in link prediction and node classification tasks, establishing new benchmarks for robustness and efficiency in heterogeneous graph processing. The model implementation is publicly available at: https://github.com/HKUDS/DiffGraph.

Multimodal Learning Without Labeled Multimodal Data: Guarantees and Applications

In many machine learning systems that jointly learn from multiple modalities, a core research question is to understand the nature of multimodal interactions: the emergence of new task-relevant information during learning from both modalities that was not present in either alone. We study this challenge of interaction quantification in a semi-supervised setting with only labeled unimodal data and naturally co-occurring multimodal data (e.g., unlabeled images and captions, video and corresponding audio) but when labeling them is time-consuming. Using a precise information-theoretic definition of interactions, our key contributions are the derivations of lower and upper bounds to quantify the amount of multimodal interactions in this semi-supervised setting. We propose two lower bounds based on the amount of shared information between modalities and the disagreement between separately trained unimodal classifiers, and derive an upper bound through connections to approximate algorithms for min-entropy couplings. We validate these estimated bounds and show how they accurately track true interactions. Finally, two semi-supervised multimodal applications are explored based on these theoretical results: (1) analyzing the relationship between multimodal performance and estimated interactions, and (2) self-supervised learning that embraces disagreement between modalities beyond agreement as is typically done.

Active-O3: Empowering Multimodal Large Language Models with Active Perception via GRPO

Active vision, also known as active perception, refers to the process of actively selecting where and how to look in order to gather task-relevant information. It is a critical component of efficient perception and decision-making in humans and advanced embodied agents. Recently, the use of Multimodal Large Language Models (MLLMs) as central planning and decision-making modules in robotic systems has gained extensive attention. However, despite the importance of active perception in embodied intelligence, there is little to no exploration of how MLLMs can be equipped with or learn active perception capabilities. In this paper, we first provide a systematic definition of MLLM-based active perception tasks. We point out that the recently proposed GPT-o3 model's zoom-in search strategy can be regarded as a special case of active perception; however, it still suffers from low search efficiency and inaccurate region selection. To address these issues, we propose ACTIVE-O3, a purely reinforcement learning based training framework built on top of GRPO, designed to equip MLLMs with active perception capabilities. We further establish a comprehensive benchmark suite to evaluate ACTIVE-O3 across both general open-world tasks, such as small-object and dense object grounding, and domain-specific scenarios, including small object detection in remote sensing and autonomous driving, as well as fine-grained interactive segmentation. In addition, ACTIVE-O3 also demonstrates strong zero-shot reasoning abilities on the V* Benchmark, without relying on any explicit reasoning data. We hope that our work can provide a simple codebase and evaluation protocol to facilitate future research on active perception in MLLMs.

Fighting Fire with Fire: Contrastive Debiasing without Bias-free Data via Generative Bias-transformation

Despite their remarkable ability to generalize with over-capacity networks, deep neural networks often learn to abuse spurious biases in the data instead of using the actual task-related information. Since such shortcuts are only effective within the collected dataset, the resulting biased model underperforms on real-world inputs, or cause unintended social repercussions such as gender discrimination. To counteract the influence of bias, existing methods either exploit auxiliary information which is rarely obtainable in practice, or sift for bias-free samples in the training data, hoping for the sufficient existence of clean samples. However, such presumptions about the data are not always guaranteed. In this paper, we propose Contrastive Debiasing via Generative Bias-transformation~(CDvG) which is capable of operating in more general environments where existing methods break down due to unmet presumptions such as insufficient bias-free samples. Motivated by our observation that not only discriminative models, as previously known, but also generative models tend to focus on the bias when possible, CDvG uses a translation model to transform the bias in the sample to another mode of bias while preserving task-relevant information. Through contrastive learning, we set transformed biased views against another, learning bias-invariant representations. Experimental results on synthetic and real-world datasets demonstrate that our framework outperforms the current state-of-the-arts, and effectively prevents the models from being biased even when bias-free samples are extremely scarce.

Active-Perceptive Motion Generation for Mobile Manipulation

Mobile Manipulation (MoMa) systems incorporate the benefits of mobility and dexterity, thanks to the enlarged space in which they can move and interact with their environment. MoMa robots can also continuously perceive their environment when equipped with onboard sensors, e.g., an embodied camera. However, extracting task-relevant visual information in unstructured and cluttered environments such as households remains a challenge. In this work, we introduce an active perception pipeline for mobile manipulators to generate motions that are informative toward manipulation tasks such as grasping, in initially unknown, cluttered scenes. Our proposed approach ActPerMoMa generates robot trajectories in a receding horizon fashion, sampling trajectories and computing path-wise utilities that trade-off reconstructing the unknown scene by maximizing the visual information gain and the taskoriented objective, e.g., grasp success by maximizing grasp reachability efficiently. We demonstrate the efficacy of our method in simulated experiments with a dual-arm TIAGo++ MoMa robot performing mobile grasping in cluttered scenes and when its path is obstructed by external obstacles. We empirically analyze the contribution of various utilities and hyperparameters, and compare against representative baselines both with and without active perception objectives. Finally, we demonstrate the transfer of our mobile grasping strategy to the real world, showing a promising direction for active-perceptive MoMa.

LSceneLLM: Enhancing Large 3D Scene Understanding Using Adaptive Visual Preferences

Research on 3D Vision-Language Models (3D-VLMs) is gaining increasing attention, which is crucial for developing embodied AI within 3D scenes, such as visual navigation and embodied question answering. Due to the high density of visual features, especially in large 3D scenes, accurately locating task-relevant visual information is challenging. Existing works attempt to segment all objects and consider their features as scene representations. However, these task-agnostic object features include much redundant information and missing details for the task-relevant area. To tackle these problems, we propose LSceneLLM, an adaptive framework that automatically identifies task-relevant areas by leveraging LLM's visual preference for different tasks, followed by a plug-and-play scene magnifier module to capture fine-grained details in focused areas. Specifically, a dense token selector examines the attention map of LLM to identify visual preferences for the instruction input. It then magnifies fine-grained details of the focusing area. An adaptive self-attention module is leveraged to fuse the coarse-grained and selected fine-grained visual information. To comprehensively evaluate the large scene understanding ability of 3D-VLMs, we further introduce a cross-room understanding benchmark, XR-Scene, which contains a series of large scene understanding tasks including XR-QA, XR-EmbodiedPlanning, and XR-SceneCaption. Experiments show that our method surpasses existing methods on both large scene understanding and existing scene understanding benchmarks. Plunging our scene magnifier module into the existing 3D-VLMs also brings significant improvement.

Statler: State-Maintaining Language Models for Embodied Reasoning

Large language models (LLMs) provide a promising tool that enable robots to perform complex robot reasoning tasks. However, the limited context window of contemporary LLMs makes reasoning over long time horizons difficult. Embodied tasks such as those that one might expect a household robot to perform typically require that the planner consider information acquired a long time ago (e.g., properties of the many objects that the robot previously encountered in the environment). Attempts to capture the world state using an LLM's implicit internal representation is complicated by the paucity of task- and environment-relevant information available in a robot's action history, while methods that rely on the ability to convey information via the prompt to the LLM are subject to its limited context window. In this paper, we propose Statler, a framework that endows LLMs with an explicit representation of the world state as a form of ``memory'' that is maintained over time. Integral to Statler is its use of two instances of general LLMs -- a world-model reader and a world-model writer -- that interface with and maintain the world state. By providing access to this world state ``memory'', Statler improves the ability of existing LLMs to reason over longer time horizons without the constraint of context length. We evaluate the effectiveness of our approach on three simulated table-top manipulation domains and a real robot domain, and show that it improves the state-of-the-art in LLM-based robot reasoning. Project website: https://statler-lm.github.io/

Joint Reasoning on Hybrid-knowledge sources for Task-Oriented Dialog

Traditional systems designed for task oriented dialog utilize knowledge present only in structured knowledge sources to generate responses. However, relevant information required to generate responses may also reside in unstructured sources, such as documents. Recent state of the art models such as HyKnow and SeKnow aimed at overcoming these challenges make limiting assumptions about the knowledge sources. For instance, these systems assume that certain types of information, such as a phone number, is always present in a structured knowledge base (KB) while information about aspects such as entrance ticket prices, would always be available in documents. In this paper, we create a modified version of the MutliWOZ-based dataset prepared by SeKnow to demonstrate how current methods have significant degradation in performance when strict assumptions about the source of information are removed. Then, in line with recent work exploiting pre-trained language models, we fine-tune a BART based model using prompts for the tasks of querying knowledge sources, as well as, for response generation, without making assumptions about the information present in each knowledge source. Through a series of experiments, we demonstrate that our model is robust to perturbations to knowledge modality (source of information), and that it can fuse information from structured as well as unstructured knowledge to generate responses.

P-RAG: Progressive Retrieval Augmented Generation For Planning on Embodied Everyday Task

Embodied Everyday Task is a popular task in the embodied AI community, requiring agents to make a sequence of actions based on natural language instructions and visual observations. Traditional learning-based approaches face two challenges. Firstly, natural language instructions often lack explicit task planning. Secondly, extensive training is required to equip models with knowledge of the task environment. Previous works based on Large Language Model (LLM) either suffer from poor performance due to the lack of task-specific knowledge or rely on ground truth as few-shot samples. To address the above limitations, we propose a novel approach called Progressive Retrieval Augmented Generation (P-RAG), which not only effectively leverages the powerful language processing capabilities of LLMs but also progressively accumulates task-specific knowledge without ground-truth. Compared to the conventional RAG methods, which retrieve relevant information from the database in a one-shot manner to assist generation, P-RAG introduces an iterative approach to progressively update the database. In each iteration, P-RAG retrieves the latest database and obtains historical information from the previous interaction as experiential references for the current interaction. Moreover, we also introduce a more granular retrieval scheme that not only retrieves similar tasks but also incorporates retrieval of similar situations to provide more valuable reference experiences. Extensive experiments reveal that P-RAG achieves competitive results without utilizing ground truth and can even further improve performance through self-iterations.

Progress Note Understanding -- Assessment and Plan Reasoning: Overview of the 2022 N2C2 Track 3 Shared Task

Daily progress notes are common types in the electronic health record (EHR) where healthcare providers document the patient's daily progress and treatment plans. The EHR is designed to document all the care provided to patients, but it also enables note bloat with extraneous information that distracts from the diagnoses and treatment plans. Applications of natural language processing (NLP) in the EHR is a growing field with the majority of methods in information extraction. Few tasks use NLP methods for downstream diagnostic decision support. We introduced the 2022 National NLP Clinical Challenge (N2C2) Track 3: Progress Note Understanding - Assessment and Plan Reasoning as one step towards a new suite of tasks. The Assessment and Plan Reasoning task focuses on the most critical components of progress notes, Assessment and Plan subsections where health problems and diagnoses are contained. The goal of the task was to develop and evaluate NLP systems that automatically predict causal relations between the overall status of the patient contained in the Assessment section and its relation to each component of the Plan section which contains the diagnoses and treatment plans. The goal of the task was to identify and prioritize diagnoses as the first steps in diagnostic decision support to find the most relevant information in long documents like daily progress notes. We present the results of 2022 n2c2 Track 3 and provide a description of the data, evaluation, participation and system performance.

Distilling and Retrieving Generalizable Knowledge for Robot Manipulation via Language Corrections

Today's robot policies exhibit subpar performance when faced with the challenge of generalizing to novel environments. Human corrective feedback is a crucial form of guidance to enable such generalization. However, adapting to and learning from online human corrections is a non-trivial endeavor: not only do robots need to remember human feedback over time to retrieve the right information in new settings and reduce the intervention rate, but also they would need to be able to respond to feedback that can be arbitrary corrections about high-level human preferences to low-level adjustments to skill parameters. In this work, we present Distillation and Retrieval of Online Corrections (DROC), a large language model (LLM)-based system that can respond to arbitrary forms of language feedback, distill generalizable knowledge from corrections, and retrieve relevant past experiences based on textual and visual similarity for improving performance in novel settings. DROC is able to respond to a sequence of online language corrections that address failures in both high-level task plans and low-level skill primitives. We demonstrate that DROC effectively distills the relevant information from the sequence of online corrections in a knowledge base and retrieves that knowledge in settings with new task or object instances. DROC outperforms other techniques that directly generate robot code via LLMs by using only half of the total number of corrections needed in the first round and requires little to no corrections after two iterations. We show further results, videos, prompts and code on https://sites.google.com/stanford.edu/droc .

Lift3D Foundation Policy: Lifting 2D Large-Scale Pretrained Models for Robust 3D Robotic Manipulation

3D geometric information is essential for manipulation tasks, as robots need to perceive the 3D environment, reason about spatial relationships, and interact with intricate spatial configurations. Recent research has increasingly focused on the explicit extraction of 3D features, while still facing challenges such as the lack of large-scale robotic 3D data and the potential loss of spatial geometry. To address these limitations, we propose the Lift3D framework, which progressively enhances 2D foundation models with implicit and explicit 3D robotic representations to construct a robust 3D manipulation policy. Specifically, we first design a task-aware masked autoencoder that masks task-relevant affordance patches and reconstructs depth information, enhancing the 2D foundation model's implicit 3D robotic representation. After self-supervised fine-tuning, we introduce a 2D model-lifting strategy that establishes a positional mapping between the input 3D points and the positional embeddings of the 2D model. Based on the mapping, Lift3D utilizes the 2D foundation model to directly encode point cloud data, leveraging large-scale pretrained knowledge to construct explicit 3D robotic representations while minimizing spatial information loss. In experiments, Lift3D consistently outperforms previous state-of-the-art methods across several simulation benchmarks and real-world scenarios.

Empowering Smaller Models: Tuning LLaMA and Gemma with Chain-of-Thought for Ukrainian Exam Tasks

Leading large language models have demonstrated impressive capabilities in reasoning-intensive tasks, such as standardized educational testing. However, they often require extensive training in low-resource settings with inaccessible infrastructure. Small or compact models, though more efficient, frequently lack sufficient support for underrepresented languages, leaving a performance gap in critical domains. This work explores the potential of parameter-efficient fine-tuning of compact open-weight language models to handle reasoning-intensive tasks in the underrepresented Ukrainian language, building on the findings of the ZNO-Eval benchmark. Parameter-efficient fine-tuning of LLaMA 3.1 (8 billion parameters), LLaMA 3.2 (3 billion parameters), and Gemma 2 (9 billion parameters) models on chain-of-thought solutions resulted in a modest test score improvement of up to 17.4% on complex matching tasks and 1.6% overall compared to tuning on answer letters alone, offering enhanced interpretability and robustness. In addition, the proposed tuning method with joint task topic and step-by-step solution generation outperforms standard chain-of-thought tuning in matching tasks and provides a 5.4% gain over the best LLaMA 3.2 model due to guiding the model to recall and apply domain-relevant information. Contrasting obtained results with zero-shot evaluations of leading open-weight and proprietary models such as Qwen, DeepSeek R1, OpenAI o1 and o3, Gemini, and Claude, highlight that fine-tuning LLaMA and Gemma models with 2,032 step-by-step solutions and 20 to 50 million trainable parameters on a single A100 GPU lets them outperform GPT-4o mini, Mistral Large, and larger open-weight models. This research also evaluates how merging the quantized adapter with the base model influences the generation quality. Source code and tuned models are available at https://github.com/NLPForUA/ZNO.

VideoWebArena: Evaluating Long Context Multimodal Agents with Video Understanding Web Tasks

Videos are often used to learn or extract the necessary information to complete tasks in ways different than what text and static imagery alone can provide. However, many existing agent benchmarks neglect long-context video understanding, instead focusing on text or static image inputs. To bridge this gap, we introduce VideoWebArena (VideoWA), a benchmark for evaluating the capabilities of long-context multimodal agents for video understanding. VideoWA consists of 2,021 web agent tasks based on manually crafted video tutorials, which total almost four hours of content. For our benchmark, we define a taxonomy of long-context video-based agent tasks with two main areas of focus: skill retention and factual retention. While skill retention tasks evaluate whether an agent can use a given human demonstration to complete a task efficiently, the factual retention task evaluates whether an agent can retrieve instruction-relevant information from a video to complete a task. We find that the best model achieves 13.3% success on factual retention tasks and 45.8% on factual retention QA pairs, far below human performance at 73.9% and 79.3%, respectively. On skill retention tasks, long-context models perform worse with tutorials than without, exhibiting a 5% performance decrease in WebArena tasks and a 10.3% decrease in VisualWebArena tasks. Our work highlights the need to improve the agentic abilities of long-context multimodal models and provides a testbed for future development with long-context video agents.

Unifying Molecular and Textual Representations via Multi-task Language Modelling

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the potential to optimize laboratory operations and fuel a new era of data-driven automation in scientific discovery. However, specialized models are still typically required for each task, leading to the need for problem-specific fine-tuning and neglecting task interrelations. The main obstacle in this field is the lack of a unified representation between natural language and chemical representations, complicating and limiting human-machine interaction. Here, we propose a multi-domain, multi-task language model to solve a wide range of tasks in both the chemical and natural language domains. By leveraging multi-task learning, our model can handle chemical and natural language concurrently, without requiring expensive pre-training on single domains or task-specific models. Interestingly, sharing weights across domains remarkably improves our model when benchmarked against state-of-the-art baselines on single-domain and cross-domain tasks. In particular, sharing information across domains and tasks gives rise to large improvements in cross-domain tasks, the magnitude of which increase with scale, as measured by more than a dozen of relevant metrics. Our work suggests that such models can robustly and efficiently accelerate discovery in physical sciences by superseding problem-specific fine-tuning and enhancing human-model interactions.

Knowledge Graph Modeling-Driven Large Language Model Operating System (LLM OS) for Task Automation in Process Engineering Problem-Solving

We present the Process Engineering Operations Assistant (PEOA), an AI-driven framework designed to solve complex problems in the chemical and process industries. The framework employs a modular architecture orchestrated by a meta-agent, which serves as the central coordinator, managing an action generator and instruction-tuned small-scale language models (expert models). The action generator decomposes complex problems into sub-tasks and identifies suitable expert models to execute each, delivering precise solutions for multi-step problem-solving. Key techniques include advanced knowledge modeling using property graphs for improved information retrieval, facilitating more accurate and contextually relevant solutions. Additionally, the framework utilizes a teacher-student transfer-learning approach with GPT-4 (Omni) to fine-tune the action generator and expert models for domain adaptation, alongside an iterative problem-solving mechanism with sophisticated error handling. Custom datasets were developed to evaluate the framework against leading proprietary language models on various engineering tasks. The results demonstrate the framework effectiveness in automating calculations, accelerating prototyping, and providing AI-augmented decision support for industrial processes, marking a significant advancement in process engineering capabilities.

Towards Multimodal Understanding via Stable Diffusion as a Task-Aware Feature Extractor

Recent advances in multimodal large language models (MLLMs) have enabled image-based question-answering capabilities. However, a key limitation is the use of CLIP as the visual encoder; while it can capture coarse global information, it often can miss fine-grained details that are relevant to the input query. To address these shortcomings, this work studies whether pre-trained text-to-image diffusion models can serve as instruction-aware visual encoders. Through an analysis of their internal representations, we find diffusion features are both rich in semantics and can encode strong image-text alignment. Moreover, we find that we can leverage text conditioning to focus the model on regions relevant to the input question. We then investigate how to align these features with large language models and uncover a leakage phenomenon, where the LLM can inadvertently recover information from the original diffusion prompt. We analyze the causes of this leakage and propose a mitigation strategy. Based on these insights, we explore a simple fusion strategy that utilizes both CLIP and conditional diffusion features. We evaluate our approach on both general VQA and specialized MLLM benchmarks, demonstrating the promise of diffusion models for visual understanding, particularly in vision-centric tasks that require spatial and compositional reasoning. Our project page can be found https://vatsalag99.github.io/mustafar/.

Deep Learning-based Code Completion: On the Impact on Performance of Contextual Information

Code completion aims at speeding up code writing by recommending to developers the next tokens they are likely to type. Deep Learning (DL) models pushed the boundaries of code completion by redefining what these coding assistants can do: We moved from predicting few code tokens to automatically generating entire functions. One important factor impacting the performance of DL-based code completion techniques is the context provided as input. With "context" we refer to what the model knows about the code to complete. In a simple scenario, the DL model might be fed with a partially implemented function to complete. In this case, the context is represented by the incomplete function and, based on it, the model must generate a prediction. It is however possible to expand such a context to include additional information, like the whole source code file containing the function to complete, which could be useful to boost the prediction performance. In this work, we present an empirical study investigating how the performance of a DL-based code completion technique is affected by different contexts. We experiment with 8 types of contexts and their combinations. These contexts include: (i) coding contexts, featuring information extracted from the code base in which the code completion is invoked (e.g., code components structurally related to the one to "complete"); (ii) process context, with information aimed at depicting the current status of the project in which a code completion task is triggered (e.g., a textual representation of open issues relevant for the code to complete); and (iii) developer contexts, capturing information about the developer invoking the code completion (e.g., the APIs frequently used). Our results show that additional contextual information can benefit the performance of DL-based code completion, with relative improvements up to +22% in terms of correct predictions.

ArK: Augmented Reality with Knowledge Interactive Emergent Ability

Despite the growing adoption of mixed reality and interactive AI agents, it remains challenging for these systems to generate high quality 2D/3D scenes in unseen environments. The common practice requires deploying an AI agent to collect large amounts of data for model training for every new task. This process is costly, or even impossible, for many domains. In this study, we develop an infinite agent that learns to transfer knowledge memory from general foundation models (e.g. GPT4, DALLE) to novel domains or scenarios for scene understanding and generation in the physical or virtual world. The heart of our approach is an emerging mechanism, dubbed Augmented Reality with Knowledge Inference Interaction (ArK), which leverages knowledge-memory to generate scenes in unseen physical world and virtual reality environments. The knowledge interactive emergent ability (Figure 1) is demonstrated as the observation learns i) micro-action of cross-modality: in multi-modality models to collect a large amount of relevant knowledge memory data for each interaction task (e.g., unseen scene understanding) from the physical reality; and ii) macro-behavior of reality-agnostic: in mix-reality environments to improve interactions that tailor to different characterized roles, target variables, collaborative information, and so on. We validate the effectiveness of ArK on the scene generation and editing tasks. We show that our ArK approach, combined with large foundation models, significantly improves the quality of generated 2D/3D scenes, compared to baselines, demonstrating the potential benefit of incorporating ArK in generative AI for applications such as metaverse and gaming simulation.

Towards General Computer Control: A Multimodal Agent for Red Dead Redemption II as a Case Study

Despite the success in specific tasks and scenarios, existing foundation agents, empowered by large models (LMs) and advanced tools, still cannot generalize to different scenarios, mainly due to dramatic differences in the observations and actions across scenarios. In this work, we propose the General Computer Control (GCC) setting: building foundation agents that can master any computer task by taking only screen images (and possibly audio) of the computer as input, and producing keyboard and mouse operations as output, similar to human-computer interaction. The main challenges of achieving GCC are: 1) the multimodal observations for decision-making, 2) the requirements of accurate control of keyboard and mouse, 3) the need for long-term memory and reasoning, and 4) the abilities of efficient exploration and self-improvement. To target GCC, we introduce Cradle, an agent framework with six main modules, including: 1) information gathering to extract multi-modality information, 2) self-reflection to rethink past experiences, 3) task inference to choose the best next task, 4) skill curation for generating and updating relevant skills for given tasks, 5) action planning to generate specific operations for keyboard and mouse control, and 6) memory for storage and retrieval of past experiences and known skills. To demonstrate the capabilities of generalization and self-improvement of Cradle, we deploy it in the complex AAA game Red Dead Redemption II, serving as a preliminary attempt towards GCC with a challenging target. To our best knowledge, our work is the first to enable LMM-based agents to follow the main storyline and finish real missions in complex AAA games, with minimal reliance on prior knowledge or resources. The project website is at https://baai-agents.github.io/Cradle/.

Enhancing Retrieval-Augmented Large Language Models with Iterative Retrieval-Generation Synergy

Large language models are powerful text processors and reasoners, but are still subject to limitations including outdated knowledge and hallucinations, which necessitates connecting them to the world. Retrieval-augmented large language models have raised extensive attention for grounding model generation on external knowledge. However, retrievers struggle to capture relevance, especially for queries with complex information needs. Recent work has proposed to improve relevance modeling by having large language models actively involved in retrieval, i.e., to improve retrieval with generation. In this paper, we show that strong performance can be achieved by a method we call Iter-RetGen, which synergizes retrieval and generation in an iterative manner. A model output shows what might be needed to finish a task, and thus provides an informative context for retrieving more relevant knowledge which in turn helps generate a better output in the next iteration. Compared with recent work which interleaves retrieval with generation when producing an output, Iter-RetGen processes all retrieved knowledge as a whole and largely preserves the flexibility in generation without structural constraints. We evaluate Iter-RetGen on multi-hop question answering, fact verification, and commonsense reasoning, and show that it can flexibly leverage parametric knowledge and non-parametric knowledge, and is superior to or competitive with state-of-the-art retrieval-augmented baselines while causing fewer overheads of retrieval and generation. We can further improve performance via generation-augmented retrieval adaptation.