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Jan 5

Zero-Shot Goal-Directed Dialogue via RL on Imagined Conversations

Large language models (LLMs) have emerged as powerful and general solutions to many natural language tasks. However, many of the most important applications of language generation are interactive, where an agent has to talk to a person to reach a desired outcome. For example, a teacher might try to understand their student's current comprehension level to tailor their instruction accordingly, and a travel agent might ask questions of their customer to understand their preferences in order to recommend activities they might enjoy. LLMs trained with supervised fine-tuning or "single-step" RL, as with standard RLHF, might struggle which tasks that require such goal-directed behavior, since they are not trained to optimize for overall conversational outcomes after multiple turns of interaction. In this work, we explore a new method for adapting LLMs with RL for such goal-directed dialogue. Our key insight is that, though LLMs might not effectively solve goal-directed dialogue tasks out of the box, they can provide useful data for solving such tasks by simulating suboptimal but human-like behaviors. Given a textual description of a goal-directed dialogue task, we leverage LLMs to sample diverse synthetic rollouts of hypothetical in-domain human-human interactions. Our algorithm then utilizes this dataset with offline reinforcement learning to train an interactive conversational agent that can optimize goal-directed objectives over multiple turns. In effect, the LLM produces examples of possible interactions, and RL then processes these examples to learn to perform more optimal interactions. Empirically, we show that our proposed approach achieves state-of-the-art performance in various goal-directed dialogue tasks that include teaching and preference elicitation.

  • 3 authors
·
Nov 9, 2023

Just Do It!? Computer-Use Agents Exhibit Blind Goal-Directedness

Computer-Use Agents (CUAs) are an increasingly deployed class of agents that take actions on GUIs to accomplish user goals. In this paper, we show that CUAs consistently exhibit Blind Goal-Directedness (BGD): a bias to pursue goals regardless of feasibility, safety, reliability, or context. We characterize three prevalent patterns of BGD: (i) lack of contextual reasoning, (ii) assumptions and decisions under ambiguity, and (iii) contradictory or infeasible goals. We develop BLIND-ACT, a benchmark of 90 tasks capturing these three patterns. Built on OSWorld, BLIND-ACT provides realistic environments and employs LLM-based judges to evaluate agent behavior, achieving 93.75% agreement with human annotations. We use BLIND-ACT to evaluate nine frontier models, including Claude Sonnet and Opus 4, Computer-Use-Preview, and GPT-5, observing high average BGD rates (80.8%) across them. We show that BGD exposes subtle risks that arise even when inputs are not directly harmful. While prompting-based interventions lower BGD levels, substantial risk persists, highlighting the need for stronger training- or inference-time interventions. Qualitative analysis reveals observed failure modes: execution-first bias (focusing on how to act over whether to act), thought-action disconnect (execution diverging from reasoning), and request-primacy (justifying actions due to user request). Identifying BGD and introducing BLIND-ACT establishes a foundation for future research on studying and mitigating this fundamental risk and ensuring safe CUA deployment.

microsoft Microsoft
·
Oct 2, 2025 3

Perceive, Reflect, and Plan: Designing LLM Agent for Goal-Directed City Navigation without Instructions

This paper considers a scenario in city navigation: an AI agent is provided with language descriptions of the goal location with respect to some well-known landmarks; By only observing the scene around, including recognizing landmarks and road network connections, the agent has to make decisions to navigate to the goal location without instructions. This problem is very challenging, because it requires agent to establish self-position and acquire spatial representation of complex urban environment, where landmarks are often invisible. In the absence of navigation instructions, such abilities are vital for the agent to make high-quality decisions in long-range city navigation. With the emergent reasoning ability of large language models (LLMs), a tempting baseline is to prompt LLMs to "react" on each observation and make decisions accordingly. However, this baseline has very poor performance that the agent often repeatedly visits same locations and make short-sighted, inconsistent decisions. To address these issues, this paper introduces a novel agentic workflow featured by its abilities to perceive, reflect and plan. Specifically, we find LLaVA-7B can be fine-tuned to perceive the direction and distance of landmarks with sufficient accuracy for city navigation. Moreover, reflection is achieved through a memory mechanism, where past experiences are stored and can be retrieved with current perception for effective decision argumentation. Planning uses reflection results to produce long-term plans, which can avoid short-sighted decisions in long-range navigation. We show the designed workflow significantly improves navigation ability of the LLM agent compared with the state-of-the-art baselines.

  • 7 authors
·
Aug 7, 2024

Proposer-Agent-Evaluator(PAE): Autonomous Skill Discovery For Foundation Model Internet Agents

The vision of a broadly capable and goal-directed agent, such as an Internet-browsing agent in the digital world and a household humanoid in the physical world, has rapidly advanced, thanks to the generalization capability of foundation models. Such a generalist agent needs to have a large and diverse skill repertoire, such as finding directions between two travel locations and buying specific items from the Internet. If each skill needs to be specified manually through a fixed set of human-annotated instructions, the agent's skill repertoire will necessarily be limited due to the quantity and diversity of human-annotated instructions. In this work, we address this challenge by proposing Proposer-Agent-Evaluator, an effective learning system that enables foundation model agents to autonomously discover and practice skills in the wild. At the heart of PAE is a context-aware task proposer that autonomously proposes tasks for the agent to practice with context information of the environment such as user demos or even just the name of the website itself for Internet-browsing agents. Then, the agent policy attempts those tasks with thoughts and actual grounded operations in the real world with resulting trajectories evaluated by an autonomous VLM-based success evaluator. The success evaluation serves as the reward signal for the agent to refine its policies through RL. We validate PAE on challenging vision-based web navigation, using both real-world and self-hosted websites from WebVoyager and WebArena.To the best of our knowledge, this work represents the first effective learning system to apply autonomous task proposal with RL for agents that generalizes real-world human-annotated benchmarks with SOTA performances. Our open-source checkpoints and code can be found in https://yanqval.github.io/PAE/

  • 8 authors
·
Dec 17, 2024 2

Active Intelligence in Video Avatars via Closed-loop World Modeling

Current video avatar generation methods excel at identity preservation and motion alignment but lack genuine agency, they cannot autonomously pursue long-term goals through adaptive environmental interaction. We address this by introducing L-IVA (Long-horizon Interactive Visual Avatar), a task and benchmark for evaluating goal-directed planning in stochastic generative environments, and ORCA (Online Reasoning and Cognitive Architecture), the first framework enabling active intelligence in video avatars. ORCA embodies Internal World Model (IWM) capabilities through two key innovations: (1) a closed-loop OTAR cycle (Observe-Think-Act-Reflect) that maintains robust state tracking under generative uncertainty by continuously verifying predicted outcomes against actual generations, and (2) a hierarchical dual-system architecture where System 2 performs strategic reasoning with state prediction while System 1 translates abstract plans into precise, model-specific action captions. By formulating avatar control as a POMDP and implementing continuous belief updating with outcome verification, ORCA enables autonomous multi-step task completion in open-domain scenarios. Extensive experiments demonstrate that ORCA significantly outperforms open-loop and non-reflective baselines in task success rate and behavioral coherence, validating our IWM-inspired design for advancing video avatar intelligence from passive animation to active, goal-oriented behavior.

  • 9 authors
·
Dec 23, 2025 2

ArCHer: Training Language Model Agents via Hierarchical Multi-Turn RL

A broad use case of large language models (LLMs) is in goal-directed decision-making tasks (or "agent" tasks), where an LLM needs to not just generate completions for a given prompt, but rather make intelligent decisions over a multi-turn interaction to accomplish a task (e.g., when interacting with the web, using tools, or providing customer support). Reinforcement learning (RL) provides a general paradigm to address such agent tasks, but current RL methods for LLMs largely focus on optimizing single-turn rewards. By construction, most single-turn RL methods cannot endow LLMs with the ability to intelligently seek information over multiple turns, perform credit assignment, or reason about their past actions -- all of which are critical in agent tasks. This raises the question: how can we design effective and efficient multi-turn RL algorithms for LLMs? In this paper, we develop a framework for building multi-turn RL algorithms for fine-tuning LLMs, that preserves the flexibility of existing single-turn RL methods for LLMs (e.g., proximal policy optimization), while accommodating multiple turns, long horizons, and delayed rewards effectively. To do this, our framework adopts a hierarchical RL approach and runs two RL algorithms in parallel: a high-level off-policy value-based RL algorithm to aggregate reward over utterances, and a low-level RL algorithm that utilizes this high-level value function to train a token policy within each utterance or turn. Our hierarchical framework, Actor-Critic Framework with a Hierarchical Structure (ArCHer), can also give rise to other RL methods. Empirically, we find that ArCHer significantly improves efficiency and performance on agent tasks, attaining a sample efficiency of about 100x over existing methods, while also improving with larger model capacity (upto the 7 billion scale that we tested on).

  • 5 authors
·
Feb 29, 2024

RoboCerebra: A Large-scale Benchmark for Long-horizon Robotic Manipulation Evaluation

Recent advances in vision-language models (VLMs) have enabled instruction-conditioned robotic systems with improved generalization. However, most existing work focuses on reactive System 1 policies, underutilizing VLMs' strengths in semantic reasoning and long-horizon planning. These System 2 capabilities-characterized by deliberative, goal-directed thinking-remain under explored due to the limited temporal scale and structural complexity of current benchmarks. To address this gap, we introduce RoboCerebra, a benchmark for evaluating high-level reasoning in long-horizon robotic manipulation. RoboCerebra includes: (1) a large-scale simulation dataset with extended task horizons and diverse subtask sequences in household environments; (2) a hierarchical framework combining a high-level VLM planner with a low-level vision-language-action (VLA) controller; and (3) an evaluation protocol targeting planning, reflection, and memory through structured System 1-System 2 interaction. The dataset is constructed via a top-down pipeline, where GPT generates task instructions and decomposes them into subtask sequences. Human operators execute the subtasks in simulation, yielding high-quality trajectories with dynamic object variations. Compared to prior benchmarks, RoboCerebra features significantly longer action sequences and denser annotations. We further benchmark state-of-the-art VLMs as System 2 modules and analyze their performance across key cognitive dimensions, advancing the development of more capable and generalizable robotic planners.

  • 7 authors
·
Jun 7, 2025

SpatialBench: Benchmarking Multimodal Large Language Models for Spatial Cognition

Spatial cognition is fundamental to real-world multimodal intelligence, allowing models to effectively interact with the physical environment. While multimodal large language models (MLLMs) have made significant strides, existing benchmarks often oversimplify spatial cognition, reducing it to a single-dimensional metric, which fails to capture the hierarchical structure and interdependence of spatial abilities. To address this gap, we propose a hierarchical spatial cognition framework that decomposes spatial intelligence into five progressively complex levels from basic observation to high-level planning. Building upon this taxonomy, we construct SpatialBench, a large-scale, fine-grained benchmark covering 15 tasks aligned with these cognitive levels. To provide a unified evaluation across heterogeneous tasks, we further introduce a high-level capability-oriented metric that reliably assesses a model's overall spatial reasoning ability. Extensive experiments over massive MLLMs reveal distinct performance stratification across cognitive levels: models exhibit strong perceptual grounding yet remain limited in symbolic reasoning, causal inference, and planning. Additional human tests demonstrate that humans perform selective, goal-directed abstraction, while MLLMs tend to over-attend to surface details without coherent spatial intent. Our work establishes the first systematic framework for measuring hierarchical spatial cognition in MLLMs, laying the foundation for future spatially intelligent systems.

  • 5 authors
·
Nov 26, 2025

GTR: Guided Thought Reinforcement Prevents Thought Collapse in RL-based VLM Agent Training

Reinforcement learning with verifiable outcome rewards (RLVR) has effectively scaled up chain-of-thought (CoT) reasoning in large language models (LLMs). Yet, its efficacy in training vision-language model (VLM) agents for goal-directed action reasoning in visual environments is less established. This work investigates this problem through extensive experiments on complex card games, such as 24 points, and embodied tasks from ALFWorld. We find that when rewards are based solely on action outcomes, RL fails to incentivize CoT reasoning in VLMs, instead leading to a phenomenon we termed thought collapse, characterized by a rapid loss of diversity in the agent's thoughts, state-irrelevant and incomplete reasoning, and subsequent invalid actions, resulting in negative rewards. To counteract thought collapse, we highlight the necessity of process guidance and propose an automated corrector that evaluates and refines the agent's reasoning at each RL step. This simple and scalable GTR (Guided Thought Reinforcement) framework trains reasoning and action simultaneously without the need for dense, per-step human labeling. Our experiments demonstrate that GTR significantly enhances the performance and generalization of the LLaVA-7b model across various visual environments, achieving 3-5 times higher task success rates compared to SoTA models with notably smaller model sizes.

  • 6 authors
·
Mar 11, 2025 2

LMRL Gym: Benchmarks for Multi-Turn Reinforcement Learning with Language Models

Large language models (LLMs) provide excellent text-generation capabilities, but standard prompting and generation methods generally do not lead to intentional or goal-directed agents and might necessitate considerable prompt tuning. This becomes particularly apparent in multi-turn conversations: even the best current LLMs rarely ask clarifying questions, engage in explicit information gathering, or take actions now that lead to better decisions after multiple turns. Reinforcement learning has the potential to leverage the powerful modeling capabilities of LLMs, as well as their internal representation of textual interactions, to create capable goal-directed language agents. This can enable intentional and temporally extended interactions, such as with humans, through coordinated persuasion and carefully crafted questions, or in goal-directed play through text games to bring about desired final outcomes. However, enabling this requires the community to develop stable and reliable reinforcement learning algorithms that can effectively train LLMs. Developing such algorithms requires tasks that can gauge progress on algorithm design, provide accessible and reproducible evaluations for multi-turn interactions, and cover a range of task properties and challenges in improving reinforcement learning algorithms. Our paper introduces the LMRL-Gym benchmark for evaluating multi-turn RL for LLMs, together with an open-source research framework containing a basic toolkit for getting started on multi-turn RL with offline value-based and policy-based RL methods. Our benchmark consists of 8 different language tasks, which require multiple rounds of language interaction and cover a range of tasks in open-ended dialogue and text games.

  • 8 authors
·
Nov 29, 2023

GenSim: Generating Robotic Simulation Tasks via Large Language Models

Collecting large amounts of real-world interaction data to train general robotic policies is often prohibitively expensive, thus motivating the use of simulation data. However, existing methods for data generation have generally focused on scene-level diversity (e.g., object instances and poses) rather than task-level diversity, due to the human effort required to come up with and verify novel tasks. This has made it challenging for policies trained on simulation data to demonstrate significant task-level generalization. In this paper, we propose to automatically generate rich simulation environments and expert demonstrations by exploiting a large language models' (LLM) grounding and coding ability. Our approach, dubbed GenSim, has two modes: goal-directed generation, wherein a target task is given to the LLM and the LLM proposes a task curriculum to solve the target task, and exploratory generation, wherein the LLM bootstraps from previous tasks and iteratively proposes novel tasks that would be helpful in solving more complex tasks. We use GPT4 to expand the existing benchmark by ten times to over 100 tasks, on which we conduct supervised finetuning and evaluate several LLMs including finetuned GPTs and Code Llama on code generation for robotic simulation tasks. Furthermore, we observe that LLMs-generated simulation programs can enhance task-level generalization significantly when used for multitask policy training. We further find that with minimal sim-to-real adaptation, the multitask policies pretrained on GPT4-generated simulation tasks exhibit stronger transfer to unseen long-horizon tasks in the real world and outperform baselines by 25%. See the project website (https://liruiw.github.io/gensim) for code, demos, and videos.

  • 9 authors
·
Oct 2, 2023

DexHandDiff: Interaction-aware Diffusion Planning for Adaptive Dexterous Manipulation

Dexterous manipulation with contact-rich interactions is crucial for advanced robotics. While recent diffusion-based planning approaches show promise for simple manipulation tasks, they often produce unrealistic ghost states (e.g., the object automatically moves without hand contact) or lack adaptability when handling complex sequential interactions. In this work, we introduce DexHandDiff, an interaction-aware diffusion planning framework for adaptive dexterous manipulation. DexHandDiff models joint state-action dynamics through a dual-phase diffusion process which consists of pre-interaction contact alignment and post-contact goal-directed control, enabling goal-adaptive generalizable dexterous manipulation. Additionally, we incorporate dynamics model-based dual guidance and leverage large language models for automated guidance function generation, enhancing generalizability for physical interactions and facilitating diverse goal adaptation through language cues. Experiments on physical interaction tasks such as door opening, pen and block re-orientation, object relocation, and hammer striking demonstrate DexHandDiff's effectiveness on goals outside training distributions, achieving over twice the average success rate (59.2% vs. 29.5%) compared to existing methods. Our framework achieves an average of 70.7% success rate on goal adaptive dexterous tasks, highlighting its robustness and flexibility in contact-rich manipulation.

  • 9 authors
·
Nov 27, 2024

Molecular Graph Generation via Geometric Scattering

Graph neural networks (GNNs) have been used extensively for addressing problems in drug design and discovery. Both ligand and target molecules are represented as graphs with node and edge features encoding information about atomic elements and bonds respectively. Although existing deep learning models perform remarkably well at predicting physicochemical properties and binding affinities, the generation of new molecules with optimized properties remains challenging. Inherently, most GNNs perform poorly in whole-graph representation due to the limitations of the message-passing paradigm. Furthermore, step-by-step graph generation frameworks that use reinforcement learning or other sequential processing can be slow and result in a high proportion of invalid molecules with substantial post-processing needed in order to satisfy the principles of stoichiometry. To address these issues, we propose a representation-first approach to molecular graph generation. We guide the latent representation of an autoencoder by capturing graph structure information with the geometric scattering transform and apply penalties that structure the representation also by molecular properties. We show that this highly structured latent space can be directly used for molecular graph generation by the use of a GAN. We demonstrate that our architecture learns meaningful representations of drug datasets and provides a platform for goal-directed drug synthesis.

  • 4 authors
·
Oct 12, 2021

Thinking Beyond Tokens: From Brain-Inspired Intelligence to Cognitive Foundations for Artificial General Intelligence and its Societal Impact

Can machines truly think, reason and act in domains like humans? This enduring question continues to shape the pursuit of Artificial General Intelligence (AGI). Despite the growing capabilities of models such as GPT-4.5, DeepSeek, Claude 3.5 Sonnet, Phi-4, and Grok 3, which exhibit multimodal fluency and partial reasoning, these systems remain fundamentally limited by their reliance on token-level prediction and lack of grounded agency. This paper offers a cross-disciplinary synthesis of AGI development, spanning artificial intelligence, cognitive neuroscience, psychology, generative models, and agent-based systems. We analyze the architectural and cognitive foundations of general intelligence, highlighting the role of modular reasoning, persistent memory, and multi-agent coordination. In particular, we emphasize the rise of Agentic RAG frameworks that combine retrieval, planning, and dynamic tool use to enable more adaptive behavior. We discuss generalization strategies, including information compression, test-time adaptation, and training-free methods, as critical pathways toward flexible, domain-agnostic intelligence. Vision-Language Models (VLMs) are reexamined not just as perception modules but as evolving interfaces for embodied understanding and collaborative task completion. We also argue that true intelligence arises not from scale alone but from the integration of memory and reasoning: an orchestration of modular, interactive, and self-improving components where compression enables adaptive behavior. Drawing on advances in neurosymbolic systems, reinforcement learning, and cognitive scaffolding, we explore how recent architectures begin to bridge the gap between statistical learning and goal-directed cognition. Finally, we identify key scientific, technical, and ethical challenges on the path to AGI.

  • 20 authors
·
Jul 1, 2025 4

SVBench: Evaluation of Video Generation Models on Social Reasoning

Recent text-to-video generation models exhibit remarkable progress in visual realism, motion fidelity, and text-video alignment, yet they remain fundamentally limited in their ability to generate socially coherent behavior. Unlike humans, who effortlessly infer intentions, beliefs, emotions, and social norms from brief visual cues, current models tend to render literal scenes without capturing the underlying causal or psychological logic. To systematically evaluate this gap, we introduce the first benchmark for social reasoning in video generation. Grounded in findings from developmental and social psychology, our benchmark organizes thirty classic social cognition paradigms into seven core dimensions, including mental-state inference, goal-directed action, joint attention, social coordination, prosocial behavior, social norms, and multi-agent strategy. To operationalize these paradigms, we develop a fully training-free agent-based pipeline that (i) distills the reasoning mechanism of each experiment, (ii) synthesizes diverse video-ready scenarios, (iii) enforces conceptual neutrality and difficulty control through cue-based critique, and (iv) evaluates generated videos using a high-capacity VLM judge across five interpretable dimensions of social reasoning. Using this framework, we conduct the first large-scale study across seven state-of-the-art video generation systems. Our results reveal substantial performance gaps: while modern models excel in surface-level plausibility, they systematically fail in intention recognition, belief reasoning, joint attention, and prosocial inference.

  • 7 authors
·
Dec 24, 2025 3

Evaluating Cognitive Maps and Planning in Large Language Models with CogEval

Recently an influx of studies claim emergent cognitive abilities in large language models (LLMs). Yet, most rely on anecdotes, overlook contamination of training sets, or lack systematic Evaluation involving multiple tasks, control conditions, multiple iterations, and statistical robustness tests. Here we make two major contributions. First, we propose CogEval, a cognitive science-inspired protocol for the systematic evaluation of cognitive capacities in Large Language Models. The CogEval protocol can be followed for the evaluation of various abilities. Second, here we follow CogEval to systematically evaluate cognitive maps and planning ability across eight LLMs (OpenAI GPT-4, GPT-3.5-turbo-175B, davinci-003-175B, Google Bard, Cohere-xlarge-52.4B, Anthropic Claude-1-52B, LLaMA-13B, and Alpaca-7B). We base our task prompts on human experiments, which offer both established construct validity for evaluating planning, and are absent from LLM training sets. We find that, while LLMs show apparent competence in a few planning tasks with simpler structures, systematic evaluation reveals striking failure modes in planning tasks, including hallucinations of invalid trajectories and getting trapped in loops. These findings do not support the idea of emergent out-of-the-box planning ability in LLMs. This could be because LLMs do not understand the latent relational structures underlying planning problems, known as cognitive maps, and fail at unrolling goal-directed trajectories based on the underlying structure. Implications for application and future directions are discussed.

  • 8 authors
·
Sep 24, 2023 1

OmniEVA: Embodied Versatile Planner via Task-Adaptive 3D-Grounded and Embodiment-aware Reasoning

Recent advances in multimodal large language models (MLLMs) have opened new opportunities for embodied intelligence, enabling multimodal understanding, reasoning, and interaction, as well as continuous spatial decision-making. Nevertheless, current MLLM-based embodied systems face two critical limitations. First, Geometric Adaptability Gap: models trained solely on 2D inputs or with hard-coded 3D geometry injection suffer from either insufficient spatial information or restricted 2D generalization, leading to poor adaptability across tasks with diverse spatial demands. Second, Embodiment Constraint Gap: prior work often neglects the physical constraints and capacities of real robots, resulting in task plans that are theoretically valid but practically infeasible.To address these gaps, we introduce OmniEVA -- an embodied versatile planner that enables advanced embodied reasoning and task planning through two pivotal innovations: (1) a Task-Adaptive 3D Grounding mechanism, which introduces a gated router to perform explicit selective regulation of 3D fusion based on contextual requirements, enabling context-aware 3D grounding for diverse embodied tasks. (2) an Embodiment-Aware Reasoning framework that jointly incorporates task goals and embodiment constraints into the reasoning loop, resulting in planning decisions that are both goal-directed and executable. Extensive experimental results demonstrate that OmniEVA not only achieves state-of-the-art general embodied reasoning performance, but also exhibits a strong ability across a wide range of downstream scenarios. Evaluations of a suite of proposed embodied benchmarks, including both primitive and composite tasks, confirm its robust and versatile planning capabilities. Project page: https://omnieva.github.io

  • 13 authors
·
Sep 11, 2025 2

NovoMolGen: Rethinking Molecular Language Model Pretraining

Designing de-novo molecules with desired property profiles requires efficient exploration of the vast chemical space ranging from 10^{23} to 10^{60} possible synthesizable candidates. While various deep generative models have been developed to design small molecules using diverse input representations, Molecular Large Language Models (Mol-LLMs) based on string representations have emerged as a scalable approach capable of exploring billions of molecules. However, there remains limited understanding regarding how standard language modeling practices such as textual representations, tokenization strategies, model size, and dataset scale impact molecular generation performance. In this work, we systematically investigate these critical aspects by introducing NovoMolGen, a family of transformer-based foundation models pretrained on 1.5 billion molecules for de-novo molecule generation. Through extensive empirical analyses, we identify a weak correlation between performance metrics measured during pretraining and actual downstream performance, revealing important distinctions between molecular and general NLP training dynamics. NovoMolGen establishes new state-of-the-art results, substantially outperforming prior Mol-LLMs and specialized generative models in both unconstrained and goal-directed molecular generation tasks, thus providing a robust foundation for advancing efficient and effective molecular modeling strategies.

  • 5 authors
·
Aug 18, 2025

EPO: Explicit Policy Optimization for Strategic Reasoning in LLMs via Reinforcement Learning

Large Language Models (LLMs) have shown impressive reasoning capabilities in well-defined problems with clear solutions, such as mathematics and coding. However, they still struggle with complex real-world scenarios like business negotiations, which require strategic reasoning-an ability to navigate dynamic environments and align long-term goals amidst uncertainty. Existing methods for strategic reasoning face challenges in adaptability, scalability, and transferring strategies to new contexts. To address these issues, we propose explicit policy optimization (EPO) for strategic reasoning, featuring an LLM that provides strategies in open-ended action space and can be plugged into arbitrary LLM agents to motivate goal-directed behavior. To improve adaptability and policy transferability, we train the strategic reasoning model via multi-turn reinforcement learning (RL) using process rewards and iterative self-play, without supervised fine-tuning (SFT) as a preliminary step. Experiments across social and physical domains demonstrate EPO's ability of long-term goal alignment through enhanced strategic reasoning, achieving state-of-the-art performance on social dialogue and web navigation tasks. Our findings reveal various collaborative reasoning mechanisms emergent in EPO and its effectiveness in generating novel strategies, underscoring its potential for strategic reasoning in real-world applications.

  • 9 authors
·
Feb 17, 2025

KG-TRACES: Enhancing Large Language Models with Knowledge Graph-constrained Trajectory Reasoning and Attribution Supervision

Large language models (LLMs) have made remarkable strides in various natural language processing tasks, but their performance on complex reasoning problems remains hindered by a lack of explainability and trustworthiness. This issue, often manifesting as hallucinations or unattributable reasoning processes, limits their applicability in complex reasoning scenarios. To address this, we propose Knowledge Graph-constrained Trajectory Reasoning Attribution and Chain Explanation Supervision (KG-TRACES), a novel framework that enhances the reasoning ability of LLMs through explicit supervision over reasoning paths and processes. KG-TRACES jointly supervises the model to: (1) predict symbolic relation paths, (2) predict full triple-level reasoning paths, and (3) generate attribution-aware reasoning processes grounded in the reasoning paths. At inference phase, the model adapts to both KG-available and KG-unavailable scenarios, retrieving reasoning paths from a KG when possible or predicting plausible reasoning paths with only intrinsic knowledge when not. This design enables the model to reason in an explainable and source-attributable pattern. Through extensive experiments on complex reasoning tasks, we demonstrate that KG-TRACES significantly outperforms existing SOTA: it improves Hits@1 by 1.6% and F1 by 4.7% on WebQSP, and achieves improvements of 4.8% in Hits@1 and 2.1% in F1 on CWQ. Moreover, we show its transferability to specialized domains such as medicine. By visualizing the intermediate steps of reasoning processes, we further show that the explicit supervision introduced by KG-TRACES leads to more stable and goal-directed reasoning processes, aligning closely with correct answers. Code is available at https://github.com/Edaizi/KG-TRACES.

  • 8 authors
·
May 31, 2025

Governed By Agents: A Survey On The Role Of Agentic AI In Future Computing Environments

The emergence of agentic Artificial Intelligence (AI), which can operate autonomously, demonstrate goal-directed behavior, and adaptively learn, indicates the onset of a massive change in today's computing infrastructure. This study investigates how agentic AI models' multiple characteristics may impact the architecture, governance, and operation under which computing environments function. Agentic AI has the potential to reduce reliance on extremely large (public) cloud environments due to resource efficiency, especially with processing and/or storage. The aforementioned characteristics provide us with an opportunity to canvas the likelihood of strategic migration in computing infrastructures away from massive public cloud services, towards more locally distributed architectures: edge computing and on-premises computing infrastructures. Many of these likely migrations will be spurred by factors like on-premises processing needs, diminished data consumption footprints, and cost savings. This study examines how a solution for implementing AI's autonomy could result in a re-architecture of the systems and model a departure from today's governance models to help us manage these increasingly autonomous agents, and an operational overhaul of processes over a very diverse computing systems landscape that bring together computing via cloud, edge, and on-premises computing solutions. To enable us to explore these intertwined decisions, it will be fundamentally important to understand how to best position agentic AI, and to navigate the future state of computing infrastructures.

  • 2 authors
·
Sep 20, 2025

GenMol: A Drug Discovery Generalist with Discrete Diffusion

Drug discovery is a complex process that involves multiple scenarios and stages, such as fragment-constrained molecule generation, hit generation and lead optimization. However, existing molecular generative models can only tackle one or two of these scenarios and lack the flexibility to address various aspects of the drug discovery pipeline. In this paper, we present Generalist Molecular generative model (GenMol), a versatile framework that addresses these limitations by applying discrete diffusion to the Sequential Attachment-based Fragment Embedding (SAFE) molecular representation. GenMol generates SAFE sequences through non-autoregressive bidirectional parallel decoding, thereby allowing utilization of a molecular context that does not rely on the specific token ordering and enhanced computational efficiency. Moreover, under the discrete diffusion framework, we introduce fragment remasking, a strategy that optimizes molecules by replacing fragments with masked tokens and regenerating them, enabling effective exploration of chemical space. GenMol significantly outperforms the previous GPT-based model trained on SAFE representations in de novo generation and fragment-constrained generation, and achieves state-of-the-art performance in goal-directed hit generation and lead optimization. These experimental results demonstrate that GenMol can tackle a wide range of drug discovery tasks, providing a unified and versatile approach for molecular design.

  • 9 authors
·
Jan 10, 2025

Grasp2Vec: Learning Object Representations from Self-Supervised Grasping

Well structured visual representations can make robot learning faster and can improve generalization. In this paper, we study how we can acquire effective object-centric representations for robotic manipulation tasks without human labeling by using autonomous robot interaction with the environment. Such representation learning methods can benefit from continuous refinement of the representation as the robot collects more experience, allowing them to scale effectively without human intervention. Our representation learning approach is based on object persistence: when a robot removes an object from a scene, the representation of that scene should change according to the features of the object that was removed. We formulate an arithmetic relationship between feature vectors from this observation, and use it to learn a representation of scenes and objects that can then be used to identify object instances, localize them in the scene, and perform goal-directed grasping tasks where the robot must retrieve commanded objects from a bin. The same grasping procedure can also be used to automatically collect training data for our method, by recording images of scenes, grasping and removing an object, and recording the outcome. Our experiments demonstrate that this self-supervised approach for tasked grasping substantially outperforms direct reinforcement learning from images and prior representation learning methods.

  • 4 authors
·
Nov 16, 2018

Perceptual Taxonomy: Evaluating and Guiding Hierarchical Scene Reasoning in Vision-Language Models

We propose Perceptual Taxonomy, a structured process of scene understanding that first recognizes objects and their spatial configurations, then infers task-relevant properties such as material, affordance, function, and physical attributes to support goal-directed reasoning. While this form of reasoning is fundamental to human cognition, current vision-language benchmarks lack comprehensive evaluation of this ability and instead focus on surface-level recognition or image-text alignment. To address this gap, we introduce Perceptual Taxonomy, a benchmark for physically grounded visual reasoning. We annotate 3173 objects with four property families covering 84 fine-grained attributes. Using these annotations, we construct a multiple-choice question benchmark with 5802 images across both synthetic and real domains. The benchmark contains 28033 template-based questions spanning four types (object description, spatial reasoning, property matching, and taxonomy reasoning), along with 50 expert-crafted questions designed to evaluate models across the full spectrum of perceptual taxonomy reasoning. Experimental results show that leading vision-language models perform well on recognition tasks but degrade by 10 to 20 percent on property-driven questions, especially those requiring multi-step reasoning over structured attributes. These findings highlight a persistent gap in structured visual understanding and the limitations of current models that rely heavily on pattern matching. We also show that providing in-context reasoning examples from simulated scenes improves performance on real-world and expert-curated questions, demonstrating the effectiveness of perceptual-taxonomy-guided prompting.

JohnsHopkins Johns Hopkins University
·
Nov 24, 2025

A Survey on Agentic Multimodal Large Language Models

With the recent emergence of revolutionary autonomous agentic systems, research community is witnessing a significant shift from traditional static, passive, and domain-specific AI agents toward more dynamic, proactive, and generalizable agentic AI. Motivated by the growing interest in agentic AI and its potential trajectory toward AGI, we present a comprehensive survey on Agentic Multimodal Large Language Models (Agentic MLLMs). In this survey, we explore the emerging paradigm of agentic MLLMs, delineating their conceptual foundations and distinguishing characteristics from conventional MLLM-based agents. We establish a conceptual framework that organizes agentic MLLMs along three fundamental dimensions: (i) Agentic internal intelligence functions as the system's commander, enabling accurate long-horizon planning through reasoning, reflection, and memory; (ii) Agentic external tool invocation, whereby models proactively use various external tools to extend their problem-solving capabilities beyond their intrinsic knowledge; and (iii) Agentic environment interaction further situates models within virtual or physical environments, allowing them to take actions, adapt strategies, and sustain goal-directed behavior in dynamic real-world scenarios. To further accelerate research in this area for the community, we compile open-source training frameworks, training and evaluation datasets for developing agentic MLLMs. Finally, we review the downstream applications of agentic MLLMs and outline future research directions for this rapidly evolving field. To continuously track developments in this rapidly evolving field, we will also actively update a public repository at https://github.com/HJYao00/Awesome-Agentic-MLLMs.

  • 11 authors
·
Oct 13, 2025

End-to-End Goal-Driven Web Navigation

We propose a goal-driven web navigation as a benchmark task for evaluating an agent with abilities to understand natural language and plan on partially observed environments. In this challenging task, an agent navigates through a website, which is represented as a graph consisting of web pages as nodes and hyperlinks as directed edges, to find a web page in which a query appears. The agent is required to have sophisticated high-level reasoning based on natural languages and efficient sequential decision-making capability to succeed. We release a software tool, called WebNav, that automatically transforms a website into this goal-driven web navigation task, and as an example, we make WikiNav, a dataset constructed from the English Wikipedia. We extensively evaluate different variants of neural net based artificial agents on WikiNav and observe that the proposed goal-driven web navigation well reflects the advances in models, making it a suitable benchmark for evaluating future progress. Furthermore, we extend the WikiNav with question-answer pairs from Jeopardy! and test the proposed agent based on recurrent neural networks against strong inverted index based search engines. The artificial agents trained on WikiNav outperforms the engined based approaches, demonstrating the capability of the proposed goal-driven navigation as a good proxy for measuring the progress in real-world tasks such as focused crawling and question-answering.

  • 2 authors
·
Feb 6, 2016