Wei Wang
Famous AuthorPublications
RetroAgent: Harnessing LLMs to Search Over Structured Memory for Agentic Retrosynthesis Planning
Multi-step retrosynthesis planning seeks to decompose a target molecule into commercially available building blocks through a sequence of feasible reactions. The vast combinatorial search space makes this task challenging even for expert chemists. Traditional methods combine tree search with offline-trained value networks that score candidates in isolation, without reasoning about complete multi-step routes. Recent work leverages Large Language Models (LLMs) for this task, but relies on simple interfaces that limit exploration of the full search space. We introduce RetroAgent, an LLM agent that bridges symbolic search and neural reasoning through a harness with structured memory. Through memory and chemistry tools, the agent observes the full search state, including explored routes, available alternatives, and properties of intermediates, enabling informed decisions grounded in both global progress and domain knowledge. Experiments on in-distribution and out-of-distribution benchmarks demonstrate that RetroAgent delivers strong performance and generalization.
FitText: Evolving Agent Tool Ecologies via Memetic Retrieval
Efficient reasoning is not only a matter of shortening an answer trace; for tool-using agents, it also depends on whether the agent is reasoning over the right action space. As API ecosystems scale to tens of thousands of endpoints, the semantic gap between user requests and tool documentation makes this problem concrete: static retrieval from the initial query can fail before planning begins, and stronger planning alone cannot recover a missing tool. We study this problem as budgeted test-time retrieval and introduce FitText, a training-free framework that makes the tool interface revisable during execution by generating, refining, and evolving natural-language pseudo-tool descriptions as retrieval probes. FitText supports serial refinement, parallel exploration, and Memetic Retrieval, which adds evolutionary selection, local refinement, and tool memory to avoid redundant search. On StableToolBench (16,464 APIs), Memetic FitText reaches an 84.3% pooled pass rate, improving +26.7 points over static retrieval, +22.2 over Single-Pass, +23.2 over Re-Invoke, and +27.5 over Xu-style root refinement. It leads on every evaluated current model, with gains growing alongside model capability, and produces the largest improvements on ambiguous multi-tool tasks where dynamic re-retrieval restores correct candidates after early mistakes. At 40-way concurrency, parallel population execution keeps batched wall-clock at 1.01x Single-Pass despite the added search work.
HeavySkill: Heavy Thinking as the Inner Skill in Agentic Harness
Recent advances in agentic harness with orchestration frameworks that coordinate multiple agents with memory, skills, and tool use have achieved remarkable success in complex reasoning tasks. However, the underlying mechanism that truly drives performance remains obscured behind intricate system designs. In this paper, we propose HeavySkill, a perspective that views heavy thinking not only as a minimal execution unit in orchestration harness but also as an inner skill internalized within the model's parameters that drives the orchestrator to solve complex tasks. We identify this skill as a two-stage pipeline, i.e., parallel reasoning then summarization, which can operate beneath any agentic harness. We present a systematic empirical study of HeavySkill across diverse domains. Our results show that this inner skill consistently outperforms traditional Best-of-N (BoN) strategies; notably, stronger LLMs can even approach Pass@N performance. Crucially, we demonstrate that the depth and width of heavy thinking, as a learnable skill, can be further scaled via reinforcement learning, offering a promising path toward self-evolving LLMs that internalize complex reasoning without relying on brittle orchestration layers.
Learning to Reason with Insight for Informal Theorem Proving
Although most of the automated theorem-proving approaches depend on formal proof systems, informal theorem proving can align better with large language models' (LLMs) strength in natural language processing. In this work, we identify a primary bottleneck in informal theorem proving as a lack of insight, namely the difficulty of recognizing the core techniques required to solve complex problems. To address this, we propose a novel framework designed to cultivate this essential reasoning skill and enable LLMs to perform insightful reasoning. We propose $\mathtt{DeepInsightTheorem}$, a hierarchical dataset that structures informal proofs by explicitly extracting core techniques and proof sketches alongside the final proof. To fully exploit this dataset, we design a Progressive Multi-Stage SFT strategy that mimics the human learning process, guiding the model from basic proof writing to insightful thinking. Our experiments on challenging mathematical benchmarks demonstrate that this insight-aware generation strategy significantly outperforms baselines. These results demonstrate that teaching models to identify and apply core techniques can substantially improve their mathematical reasoning.
IDEA: An Interpretable and Editable Decision-Making Framework for LLMs via Verbal-to-Numeric Calibration
Large Language Models are increasingly deployed for decision-making, yet their adoption in high-stakes domains remains limited by miscalibrated probabilities, unfaithful explanations, and inability to incorporate expert knowledge precisely. We propose IDEA, a framework that extracts LLM decision knowledge into an interpretable parametric model over semantically meaningful factors. Through joint learning of verbal-to-numerical mappings and decision parameters via EM, correlated sampling that preserves factor dependencies, and direct parameter editing with mathematical guarantees, IDEA produces calibrated probabilities while enabling quantitative human-AI collaboration. Experiments across five datasets show IDEA with Qwen-3-32B (78.6%) outperforms DeepSeek R1 (68.1%) and GPT-5.2 (77.9%), achieving perfect factor exclusion and exact calibration -- precision unattainable through prompting alone. The implementation is publicly available at https://github.com/leonbig/IDEA.
LongCat-Flash-Prover: Advancing Native Formal Reasoning via Agentic Tool-Integrated Reinforcement Learning
We introduce LongCat-Flash-Prover, a flagship 560-billion-parameter open-source Mixture-of- Experts (MoE) model that advances Native Formal Reasoning in Lean4 through agentic tool-integrated reasoning (TIR). We decompose the native formal reasoning task into three independent formal capabilities, i.e., auto-formalization, sketching, and proving. To facilitate these capabilities, we propose a Hybrid-Experts Iteration Framework to expand high-quality task trajectories, including generating a formal statement based on a given informal problem, producing a whole-proof directly from the statement, or a lemma-style sketch. During agentic RL, we present a Hierarchical Importance Sampling Policy Optimization (HisPO) algorithm, which aims to stabilize the MoE model training on such long-horizon tasks. It employs a gradient masking strategy that accounts for the policy staleness and the inherent train-inference engine discrepancies at both sequence and token levels. Additionally, we also incorporate theorem consistency and legality detection mechanisms to eliminate reward hacking issues. Extensive evaluations show that our LongCat-Flash-Prover sets a new state-of-the-art for open-weights models in both auto-formalization and theorem proving. Demonstrating remarkable sample efficiency, it achieves a 97.1% pass rate on MiniF2F-Test using only 72 inference budget per problem. On more challenging benchmarks, it solves 70.8% of ProverBench and 41.5% of PutnamBench with no more than 220 attempts per problem, significantly outperforming existing open-weights baselines.
TaoBench: Do Automated Theorem Prover LLMs Generalize Beyond MathLib?
Automated theorem proving (ATP) benchmarks largely consist of problems formalized in MathLib, so current ATP training and evaluation are heavily biased toward MathLib's definitional framework. However, frontier mathematics is often exploratory and prototype-heavy, relying on bespoke constructions that deviate from standard libraries. In this work, we evaluate the robustness of current ATP systems when applied to a novel definitional framework, specifically examining the performance gap between standard library problems and bespoke mathematical constructions. We introduce TaoBench, an undergraduate-level benchmark derived from Terence Tao's Analysis I, which formalizes analysis by constructing core mathematical concepts from scratch, without relying on standard Mathlib definitions, as well as by mixing from-scratch and MathLib constructions. For fair evaluation, we build an agentic pipeline that automatically extracts a compilable, self-contained local environment for each problem. To isolate the effect of definitional frameworks, we additionally translate every problem into a mathematically equivalent Mathlib formulation, yielding paired TaoBench-Mathlib statements for direct comparison. While state-of-the-art ATP models perform capably within the MathLib framework, performance drops by an average of roughly 26% on the definitionally equivalent Tao formulation. This indicates that the main bottleneck is limited generalization across definitional frameworks rather than task difficulty. TaoBench thus highlights a gap between benchmark performance and applicability, and provides a concrete foundation for developing and testing provers better aligned with research mathematics.
ARLArena: A Unified Framework for Stable Agentic Reinforcement Learning
Agentic reinforcement learning (ARL) has rapidly gained attention as a promising paradigm for training agents to solve complex, multi-step interactive tasks. Despite encouraging early results, ARL remains highly unstable, often leading to training collapse. This instability limits scalability to larger environments and longer interaction horizons, and constrains systematic exploration of algorithmic design choices. In this paper, we first propose ARLArena, a stable training recipe and systematic analysis framework that examines training stability in a controlled and reproducible setting. ARLArena first constructs a clean and standardized testbed. Then, we decompose policy gradient into four core design dimensions and assess the performance and stability of each dimension. Through this fine-grained analysis, we distill a unified perspective on ARL and propose SAMPO, a stable agentic policy optimization method designed to mitigate the dominant sources of instability in ARL. Empirically, SAMPO achieves consistently stable training and strong performance across diverse agentic tasks. Overall, this study provides a unifying policy gradient perspective for ARL and offers practical guidance for building stable and reproducible LLM-based agent training pipelines.
DeepVision-103K: A Visually Diverse, Broad-Coverage, and Verifiable Mathematical Dataset for Multimodal Reasoning
Reinforcement Learning with Verifiable Rewards (RLVR) has been shown effective in enhancing the visual reflection and reasoning capabilities of Large Multimodal Models (LMMs). However, existing datasets are predominantly derived from either small-scale manual construction or recombination of prior resources, which limits data diversity and coverage, thereby constraining further gains in model performance. To this end, we introduce \textbf{DeepVision-103K}, a comprehensive dataset for RLVR training that covers diverse K12 mathematical topics, extensive knowledge points, and rich visual elements. Models trained on DeepVision achieve strong performance on multimodal mathematical benchmarks, and generalize effectively to general multimodal reasoning tasks. Further analysis reveals enhanced visual perception, reflection and reasoning capabilities in trained models, validating DeepVision's effectiveness for advancing multimodal reasoning. Data: \href{https://huggingface.co/datasets/skylenage/DeepVision-103K}{this url}.
Credit Where It is Due: Cross-Modality Connectivity Drives Precise Reinforcement Learning for MLLM Reasoning
Reinforcement Learning with Verifiable Rewards (RLVR) has significantly advanced the reasoning capabilities of Multimodal Large Language Models (MLLMs), yet how visual evidence is integrated during reasoning remains poorly understood. We explore multimodal RLVR through the lens of cross-modal attention connectivity and find that only a small fraction of tokens (approximately 15%) exhibit strong visual-textual coupling. These high-connectivity tokens act as anchors that ground reasoning in the image, while the majority follow linguistic patterns. During RLVR training, credit assignment naturally concentrates on these anchors, sharpening their visual grounding over time. Building on this insight, we propose Anchor-Token Reinforcement Learning (AT-RL), a lightweight framework that selectively reinforces high-connectivity tokens via graph-based clustering of attention topology. Evaluated across the series (3B-32B), AT-RL introduces only 1.2% overhead yet enables the 32B model to surpass the 72B-Instruct baseline on MathVista (80.2), with consistent gains observed across STEM, video and general tasks. Conversely, training solely on low-connectivity tokens causes severe degradation, confirming that effective multimodal RL hinges on precise credit assignment to visual anchors. Our work reveals that reasoning quality is governed not by token quantity but by the fidelity of cross-modal anchoring.