Yansi Li

Yansi Li, Zhuosheng Zhang

Generating executable tool plans requires selecting appropriate subsets from tool libraries, a combinatorial search problem with an exponentially large solution space. However, we identify a critical misalignment in predominant approaches: standard autoregressive (AR) decoding suffers from early commitment, where initial token choices rigidly constrain the search trajectory. A controlled study shows that masked denoising raises Pass@10 solution coverage from 0.320 to 0.943 over AR sampling under matched compute. Motivated by this, we propose DiG-Plan, a framework that decouples combinatorial exploration from structural refinement. DiG-Plan employs a diffusion-based proposer to generate diverse tool sets via iterative refinement, followed by an AR refiner for dependency prediction. On TaskBench, DiG-Plan improves over AR baselines by a 10% relative margin, with the largest gains on complex compositional tasks; API-Bank results show that the propose-refine-select design remains effective across domains. Code is available at https://github.com/puddingyeah/DiG-Plan.

Zheng Wu, Xingyu Lou, Xinbei Ma et al.

Large Language Model (LLM)-based agents significantly extend the utility of LLMs by interacting with dynamic environments. However, enabling agents to continually learn new tasks without catastrophic forgetting remains a critical challenge, known as the stability-plasticity dilemma. In this work, we argue that this dilemma fundamentally arises from the failure to explicitly distinguish between common knowledge shared across tasks and conflicting knowledge introduced by task-specific interference. To address this, we propose Agent-Dice, a parameter fusion framework based on directional consensus evaluation. Concretely, Agent-Dice disentangles knowledge updates through a two-stage process: geometric consensus filtering to prune conflicting gradients, and curvature-based importance weighting to amplify shared semantics. We provide a rigorous theoretical analysis that establishes the validity of the proposed fusion scheme and offers insight into the origins of the stability-plasticity dilemma. Extensive experiments on GUI agents and tool-use agent domains demonstrate that Agent-Dice exhibits outstanding continual learning performance with minimal computational overhead and parameter updates. The codes are available at https://github.com/Wuzheng02/Agent-Dice.

Zihan Zhao, Bo Chen, Jingpiao Li et al.

Rapid developments of AI tools are expected to offer unprecedented assistance to the research of natural science including chemistry. However, neither existing unimodal task-specific specialist models nor emerging general large multimodal models (LMM) can cover the wide range of chemical data modality and task categories. To address the real demands of chemists, a cross-modal Chemical General Intelligence (CGI) system, which serves as a truly practical and useful research assistant utilizing the great potential of LMMs, is in great need. In this work, we introduce the first Cross-modal Dialogue Foundation Model for Chemistry (ChemDFM-X). Diverse multimodal data are generated from an initial modality by approximate calculations and task-specific model predictions. This strategy creates sufficient chemical training corpora, while significantly reducing excessive expense, resulting in an instruction-tuning dataset containing 7.6M data. After instruction finetuning, ChemDFM-X is evaluated on extensive experiments of different chemical tasks with various data modalities. The results demonstrate the capacity of ChemDFM-X for multimodal and inter-modal knowledge comprehension. ChemDFM-X marks a significant milestone toward aligning all modalities in chemistry, a step closer to CGI.

Yansi Li, Jiahao Xu, Tian Liang et al.

Enhancing the reasoning capabilities of large language models (LLMs), particularly for complex tasks requiring multi-step logical deductions, remains a significant challenge. Traditional inference time scaling methods utilize scalar reward signals from process reward models to evaluate candidate reasoning steps, but these scalar rewards lack the nuanced qualitative information essential for understanding and justifying each step. In this paper, we propose a novel inference-time scaling approach -- stepwise natural language self-critique (PANEL), which employs self-generated natural language critiques as feedback to guide the step-level search process. By generating rich, human-readable critiques for each candidate reasoning step, PANEL retains essential qualitative information, facilitating better-informed decision-making during inference. This approach bypasses the need for task-specific verifiers and the associated training overhead, making it broadly applicable across diverse tasks. Experimental results on challenging reasoning benchmarks, including AIME and GPQA, demonstrate that PANEL significantly enhances reasoning performance, outperforming traditional scalar reward-based methods. Our code is available at https://github.com/puddingyeah/PANEL to support and encourage future research in this promising field.

Haodong Zhao, Chenyan Zhao, Yansi Li et al.

The capacity of Large Language Models (LLMs) to reason is fundamental to their application in complex, knowledge-intensive domains. In real-world scenarios, LLMs are often augmented with external information that can be helpful, irrelevant, or even misleading. This paper investigates the causal impact of such auxiliary information on the reasoning process of LLMs with explicit step-by-step thinking capabilities. We introduce SciAux, a new dataset derived from ScienceQA, to systematically test the robustness of the model against these types of information. Our findings reveal a critical vulnerability: the model's deliberative "thinking mode" is a double-edged sword. While helpful context improves accuracy, misleading information causes a catastrophic drop in performance, which is amplified by the thinking process. Instead of conferring robustness, thinking reinforces the degree of error when provided with misinformation. This highlights that the challenge is not merely to make models "think", but to endow them with the critical faculty to evaluate the information upon which their reasoning is based. The SciAux dataset is available at https://huggingface.co/datasets/billhdzhao/SciAux.

Ziyin Zhang, Jiahao Xu, Zhiwei He et al.

Theorem proving serves as a major testbed for evaluating complex reasoning abilities in large language models (LLMs). However, traditional automated theorem proving (ATP) approaches rely heavily on formal proof systems that poorly align with LLMs' strength derived from informal, natural language knowledge acquired during pre-training. In this work, we propose DeepTheorem, a comprehensive informal theorem-proving framework exploiting natural language to enhance LLM mathematical reasoning. DeepTheorem includes a large-scale benchmark dataset consisting of 121K high-quality IMO-level informal theorems and proofs spanning diverse mathematical domains, rigorously annotated for correctness, difficulty, and topic categories, accompanied by systematically constructed verifiable theorem variants. We devise a novel reinforcement learning strategy (RL-Zero) explicitly tailored to informal theorem proving, leveraging the verified theorem variants to incentivize robust mathematical inference. Additionally, we propose comprehensive outcome and process evaluation metrics examining proof correctness and the quality of reasoning steps. Extensive experimental analyses demonstrate DeepTheorem significantly improves LLM theorem-proving performance compared to existing datasets and supervised fine-tuning protocols, achieving state-of-the-art accuracy and reasoning quality. Our findings highlight DeepTheorem's potential to fundamentally advance automated informal theorem proving and mathematical exploration.

Zichen Zhu, Hao Tang, Yansi Li et al.

Existing Multimodal Large Language Model (MLLM)-based agents face significant challenges in handling complex GUI (Graphical User Interface) interactions on devices. These challenges arise from the dynamic and structured nature of GUI environments, which integrate text, images, and spatial relationships, as well as the variability in action spaces across different pages and tasks. To address these limitations, we propose MobA, a novel MLLM-based mobile assistant system. MobA introduces an adaptive planning module that incorporates a reflection mechanism for error recovery and dynamically adjusts plans to align with the real environment contexts and action module's execution capacity. Additionally, a multifaceted memory module provides comprehensive memory support to enhance adaptability and efficiency. We also present MobBench, a dataset designed for complex mobile interactions. Experimental results on MobBench and AndroidArena demonstrate MobA's ability to handle dynamic GUI environments and perform complex mobile tasks.