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Robert Tang

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6 papers

1 author row

NeurIPS Conference 2025 Conference Paper

Beyond Chemical QA: Evaluating LLM's Chemical Reasoning with Modular Chemical Operations

Li Hao
He CAO
Bin Feng
Daniel Shao
Robert Tang
Zhiyuan Yan
Yonghong Tian
Li Yuan

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug design and reaction engineering, remains untapped. Current benchmarks focus on simple knowledge retrieval, neglecting step-by-step reasoning required for complex tasks such as molecular optimization and reaction prediction. To address this, we introduce ChemCoTBench, a reasoning framework that bridges molecular structure understanding with arithmetic-inspired operations, including addition, deletion, and substitution, to formalize chemical problem-solving into transparent, step-by-step workflows. By treating molecular transformations as modular "chemical operations", the framework enables slow-thinking reasoning, mirroring the logic of mathematical proofs while grounding solutions in real-world chemical constraints. We evaluate models on two high-impact tasks: Molecular Property Optimization and Chemical Reaction Prediction. These tasks mirror real-world challenges while providing structured evaluability. We further provide ChemCoTDataset, a pioneering 22, 000-instance chemical reasoning dataset with expert-annotated chains of thought to facilitate LLM fine-tuning. By providing annotated trainable datasets, a reasoning taxonomy, and baseline evaluations, our work bridges the gap between abstract reasoning methods and practical chemical discovery, establishing a foundation for advancing LLMs as tools for AI-driven scientific innovation.

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NeurIPS Conference 2025 Conference Paper

DyFlow: Dynamic Workflow Framework for Agentic Reasoning

Yanbo Wang
Zixiang Xu
Yue Huang
Xiangqi Wang
Zirui Song
Lang Gao
Chenxi Wang
Robert Tang

Agent systems based on large language models (LLMs) have shown great potential in complex reasoning tasks, but building efficient and generalizable workflows remains a major challenge. Most existing approaches rely on manually designed processes, which limits their adaptability across different tasks. While a few methods attempt automated workflow generation, they are often tied to specific datasets or query types and make limited use of intermediate feedback, reducing system robustness and reasoning depth. Moreover, their operations are typically predefined and inflexible. To address these limitations, we propose DyFlow, a dynamic workflow generation framework that adaptively constructs and adjusts reasoning procedures based on task requirements and real-time intermediate feedback, thereby enhancing cross-task generalization. DyFlow consists of two core components: a designer and an executor. The designer decomposes complex problems into a sequence of sub-goals defined by high-level objectives and dynamically plans the next steps based on intermediate outputs and feedback. These plans are then carried out by the executor, which executes each operation using dynamic operators with context-aware parameterization, enabling flexible and semantically grounded reasoning. We systematically evaluate DyFlow across diverse domains, including social reasoning, biomedical tasks, mathematical problem solving, and code generation. Results demonstrate that DyFlow significantly outperforms existing baselines, achieving substantial Pass@k improvements and exhibiting robust generalization across diverse domains.

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NeurIPS Conference 2025 Conference Paper

KORGym: A Dynamic Game Platform for LLM Reasoning Evaluation

Jiajun Shi
Jian Yang
Jiaheng Liu
Xingyuan Bu
Jiangjie Chen
Junting Zhou
Kaijing Ma
Zhoufutu Wen

Recent advancements in large language models (LLMs) underscore the need for more comprehensive evaluation methods to accurately assess their reasoning capabilities. Existing benchmarks are often domain-specific and thus cannot fully capture an LLM’s general reasoning potential. To address this limitation, we introduce the Knowledge Orthogonal Reasoning Gymnasium (KORGym), a dynamic evaluation platform inspired by KOR-Bench and Gymnasium. KORGym offers over fifty games in either textual or visual formats and supports interactive, multi-turn assessments with reinforcement learning scenarios. Using KORGym, we conduct extensive experiments on 19 LLMs and 8 VLMs, revealing consistent reasoning patterns within model families and demonstrating the superior performance of closed-source models. Further analysis examines the effects of modality, reasoning strategies, reinforcement learning techniques, and response length on model performance. We expect KORGym to become a valuable resource for advancing LLM reasoning research and developing evaluation methodologies suited to complex, interactive environments.

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NeurIPS Conference 2025 Conference Paper

SciArena: An Open Evaluation Platform for Non-Verifiable Scientific Literature-Grounded Tasks

Yilun Zhao
Kaiyan Zhang
Tiansheng Hu
Sihong Wu
Ronan Le Bras
Yixin Liu
Robert Tang
Joseph Chee Chang

We present SciArena, an open and collaborative platform for evaluating foundation models on scientific literature-grounded tasks. Unlike traditional benchmarks for scientific literature understanding and synthesis, SciArena engages the research community directly, following the Chatbot Arena evaluation approach of community voting on model comparisons. By leveraging collective intelligence, SciArena offers a community-driven evaluation of model performance on open-ended scientific tasks that demand literature-grounded, long-form responses. The platform currently supports 44 open-source and proprietary foundation models and has collected over 19, 000 votes from human researchers across diverse scientific domains. Our analysis of the data collected so far confirms its high quality. We discuss the results and insights based on the model ranking leaderboard. To further promote research in building model-based automated evaluation systems for literature tasks, we release SciArena-Eval, a meta-evaluation benchmark based on our collected preference data. The benchmark measures the accuracy of models in judging answer quality by comparing their pairwise assessments with human votes. Our experiments highlight the benchmark’s challenges and emphasize the need for more reliable automated evaluation methods.

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NeurIPS Conference 2025 Conference Paper

WebDancer: Towards Autonomous Information Seeking Agency

Jialong Wu
Baixuan Li
Runnan Fang
Wenbiao Yin
Liwen Zhang
Zhenglin Wang
Zhengwei Tao
Ding-Chu Zhang

Addressing intricate real-world problems necessitates in-depth information seeking and multi-step reasoning. Recent progress in agentic systems, exemplified by Deep Research, underscores the potential for autonomous multi-step research. In this work, we present a cohesive paradigm for building end-to-end agentic information seeking agents from a data-centric and training-stage perspective. Our approach consists of four key stages: (1) browsing data construction, (2) trajectories sampling, (3) supervised fine-tuning for effective cold start, and (4) reinforcement learning for enhanced generalisation. We instantiate this framework in a web agent based on the ReAct format, WebDancer. Empirical evaluations on the challenging GAIA and WebWalkerQA benchmarks demonstrate the strong performance of WebDancer, achieving considerable results and highlighting the efficacy of our training paradigm. Further analysis of agent training provides valuable insights and actionable, systematic pathways for developing more capable agentic models.

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TMLR Journal 2023 Journal Article

Detecting danger in gridworlds using Gromov’s Link Condition

Thomas F Burns
Robert Tang

Gridworlds have been long-utilised in AI research, particularly in reinforcement learning, as they provide simple yet scalable models for many real-world applications such as robot navigation, emergent behaviour, and operations research. We initiate a study of gridworlds using the mathematical framework of reconfigurable systems and state complexes due to Abrams, Ghrist & Peterson. State complexes, a higher-dimensional analogue of state graphs, represent all possible configurations of a system as a single geometric space, thus making them conducive to study using geometric, topological, or combinatorial methods. The main contribution of this work is a modification to the original Abrams, Ghrist & Peterson setup which we introduce to capture agent braiding and thereby more naturally represent the topology of gridworlds. With this modification, the state complexes may exhibit geometric defects (failure of Gromov's Link Condition). Serendipitously, we discover these failures for agent-only cases occur exactly where undesirable or dangerous states appear in the gridworld. Our results therefore provide a novel method for seeking guaranteed safety limitations in discrete task environments with single or multiple agents, and offer useful safety information (in geometric and topological forms) for incorporation in or analysis of machine learning systems. More broadly, our work introduces tools from geometric group theory and combinatorics to the AI community and demonstrates a proof-of-concept for this geometric viewpoint of the task domain through the example of simple environments.

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