Yukun Yan
Publications
Know More, Know Clearer: A Meta-Cognitive Framework for Knowledge Augmentation in Large Language Models
Knowledge augmentation has significantly enhanced the performance of Large Language Models (LLMs) in knowledge-intensive tasks. However, existing methods typically operate on the simplistic premise that model performance equates with internal knowledge, overlooking the knowledge-confidence gaps that lead to overconfident errors or uncertain truths. To bridge this gap, we propose a novel meta-cognitive framework for reliable knowledge augmentation via differentiated intervention and alignment. Our approach leverages internal cognitive signals to partition the knowledge space into mastered, confused, and missing regions, guiding targeted knowledge expansion. Furthermore, we introduce a cognitive consistency mechanism to synchronize subjective certainty with objective accuracy, ensuring calibrated knowledge boundaries. Extensive experiments demonstrate the our framework consistently outperforms strong baselines, validating its rationality in not only enhancing knowledge capabilities but also fostering cognitive behaviors that better distinguish knowns from unknowns.
DrugR: Optimizing Molecular Drugs through LLM-based Explicit Reasoning
Molecule generation and optimization is a fundamental task in chemical domain. The rapid development of intelligent tools, especially large language models (LLMs) with powerful knowledge reserves and interactive capabilities, has provided new paradigms for it. Nevertheless, the intrinsic challenge for LLMs lies in the complex implicit relationship between molecular structure and pharmacological properties and the lack of corresponding labeled data. To bridge this gap, we propose DrugR, an LLM-based method that introduces explicit, step-by-step pharmacological reasoning into the optimization process. Our approach integrates domain-specific continual pretraining, supervised fine-tuning via reverse data engineering, and self-balanced multi-granular reinforcement learning. This framework enables DrugR to effectively improve key ADMET properties while preserving the original molecule's core efficacy. Experimental results demonstrate that DrugR achieves comprehensive enhancement across multiple properties without compromising structural similarity or target binding affinity. Importantly, its explicit reasoning process provides clear, interpretable rationales for each optimization step, yielding actionable design insights and advancing toward automated, knowledge-driven scientific discovery. Our code and model checkpoints are open-sourced to foster future research.
AgentCPM-Report: Interleaving Drafting and Deepening for Open-Ended Deep Research
Generating deep research reports requires large-scale information acquisition and the synthesis of insight-driven analysis, posing a significant challenge for current language models. Most existing approaches follow a plan-then-write paradigm, whose performance heavily depends on the quality of the initial outline. However, constructing a comprehensive outline itself demands strong reasoning ability, causing current deep research systems to rely almost exclusively on closed-source or online large models. This reliance raises practical barriers to deployment and introduces safety and privacy concerns for user-authored data. In this work, we present AgentCPM-Report, a lightweight yet high-performing local solution composed of a framework that mirrors the human writing process and an 8B-parameter deep research agent. Our framework uses a Writing As Reasoning Policy (WARP), which enables models to dynamically revise outlines during report generation. Under this policy, the agent alternates between Evidence-Based Drafting and Reasoning-Driven Deepening, jointly supporting information acquisition, knowledge refinement, and iterative outline evolution. To effectively equip small models with this capability, we introduce a Multi-Stage Agentic Training strategy, consisting of cold-start, atomic skill RL, and holistic pipeline RL. Experiments on DeepResearch Bench, DeepConsult, and DeepResearch Gym demonstrate that AgentCPM-Report outperforms leading closed-source systems, with substantial gains in Insight.
AgentCPM-Explore: Realizing Long-Horizon Deep Exploration for Edge-Scale Agents
While Large Language Model (LLM)-based agents have shown remarkable potential for solving complex tasks, existing systems remain heavily reliant on large-scale models, leaving the capabilities of edge-scale models largely underexplored. In this paper, we present the first systematic study on training agentic models at the 4B-parameter scale. We identify three primary bottlenecks hindering the performance of edge-scale models: catastrophic forgetting during Supervised Fine-Tuning (SFT), sensitivity to reward signal noise during Reinforcement Learning (RL), and reasoning degradation caused by redundant information in long-context scenarios. To address the issues, we propose AgentCPM-Explore, a compact 4B agent model with high knowledge density and strong exploration capability. We introduce a holistic training framework featuring parameter-space model fusion, reward signal denoising, and contextual information refinement. Through deep exploration, AgentCPM-Explore achieves state-of-the-art (SOTA) performance among 4B-class models, matches or surpasses 8B-class SOTA models on four benchmarks, and even outperforms larger-scale models such as Claude-4.5-Sonnet or DeepSeek-v3.2 in five benchmarks. Notably, AgentCPM-Explore achieves 97.09% accuracy on GAIA text-based tasks under pass@64. These results provide compelling evidence that the bottleneck for edge-scale models is not their inherent capability ceiling, but rather their inference stability. Based on our well-established training framework, AgentCPM-Explore effectively unlocks the significant, yet previously underestimated, potential of edge-scale models.
Lang2Act: Fine-Grained Visual Reasoning through Self-Emergent Linguistic Toolchains
Visual Retrieval-Augmented Generation (VRAG) enhances Vision-Language Models (VLMs) by incorporating external visual documents to address a given query. Existing VRAG frameworks usually depend on rigid, pre-defined external tools to extend the perceptual capabilities of VLMs, typically by explicitly separating visual perception from subsequent reasoning processes. However, this decoupled design can lead to unnecessary loss of visual information, particularly when image-based operations such as cropping are applied. In this paper, we propose Lang2Act, which enables fine-grained visual perception and reasoning through self-emergent linguistic toolchains. Rather than invoking fixed external engines, Lang2Act collects self-emergent actions as linguistic tools and leverages them to enhance the visual perception capabilities of VLMs. To support this mechanism, we design a two-stage Reinforcement Learning (RL)-based training framework. Specifically, the first stage optimizes VLMs to self-explore high-quality actions for constructing a reusable linguistic toolbox, and the second stage further optimizes VLMs to exploit these linguistic tools for downstream reasoning effectively. Experimental results demonstrate the effectiveness of Lang2Act in substantially enhancing the visual perception capabilities of VLMs, achieving performance improvements of over 4%. All code and data are available at https://github.com/NEUIR/Lang2Act.
Teaching LLMs to Learn Tool Trialing and Execution through Environment Interaction
Equipping Large Language Models (LLMs) with external tools enables them to solve complex real-world problems. However, the robustness of existing methods remains a critical challenge when confronting novel or evolving tools. Existing trajectory-centric paradigms primarily rely on memorizing static solution paths during training, which limits the ability of LLMs to generalize tool usage to newly introduced or previously unseen tools. In this paper, we propose ToolMaster, a framework that shifts tool use from imitating golden tool-calling trajectories to actively learning tool usage through interaction with the environment. To optimize LLMs for tool planning and invocation, ToolMaster adopts a trial-and-execution paradigm, which trains LLMs to first imitate teacher-generated trajectories containing explicit tool trials and self-correction, followed by reinforcement learning to coordinate the trial and execution phases jointly. This process enables agents to autonomously explore correct tool usage by actively interacting with environments and forming experiential knowledge that benefits tool execution. Experimental results demonstrate that ToolMaster significantly outperforms existing baselines in terms of generalization and robustness across unseen or unfamiliar tools. All code and data are available at https://github.com/NEUIR/ToolMaster.
Revealing the Attention Floating Mechanism in Masked Diffusion Models
Masked diffusion models (MDMs), which leverage bidirectional attention and a denoising process, are narrowing the performance gap with autoregressive models (ARMs). However, their internal attention mechanisms remain under-explored. This paper investigates the attention behaviors in MDMs, revealing the phenomenon of Attention Floating. Unlike ARMs, where attention converges to a fixed sink, MDMs exhibit dynamic, dispersed attention anchors that shift across denoising steps and layers. Further analysis reveals its Shallow Structure-Aware, Deep Content-Focused attention mechanism: shallow layers utilize floating tokens to build a global structural framework, while deeper layers allocate more capability toward capturing semantic content. Empirically, this distinctive attention pattern provides a mechanistic explanation for the strong in-context learning capabilities of MDMs, allowing them to double the performance compared to ARMs in knowledge-intensive tasks. All codes and datasets are available at https://github.com/NEUIR/Attention-Floating.