arXiv subjects

Zijun Yao

Publications and source records attributed to Zijun Yao.

At least 37 records · Page 2Linked to original sources

arXiv2026

AgentOS: From Application Silos to a Natural Language-Driven Data Ecosystem

The rapid emergence of open-source, locally hosted intelligent agents marks a critical inflection point in human-computer interaction. Systems such as OpenClaw demonstrate that Large Language Model (LLM)-based agents can autonomously operate local computing environments, orchestrate workflows, and integrate external tools. However, within the current paradigm, these agents remain conventional applications running on legacy operating systems originally designed for Graphical User Interfaces (GUIs) or Command Line Interfaces (CLIs). This architectural mismatch leads to fragmented interaction models, poorly structured permission management (often described as "Shadow AI"), and severe context fragmentation. This paper proposes a new paradigm: a Personal Agent Operating System (AgentOS). In AgentOS, traditional GUI desktops are replaced by a Natural User Interface (NUI) centered on a unified natural language or voice portal. The system core becomes an Agent Kernel that interprets user intent, decomposes tasks, and coordinates multiple agents, while traditional applications evolve into modular Skills-as-Modules enabling users to compose software through natural language rules. We argue that realizing AgentOS fundamentally becomes a Knowledge Discovery and Data Mining (KDD) problem. The Agent Kernel must operate as a real-time engine for intent mining and knowledge discovery. Viewed through this lens, the operating system becomes a continuous data mining pipeline involving sequential pattern mining for workflow automation, recommender systems for skill retrieval, and dynamically evolving personal knowledge graphs. These challenges define a new research agenda for the KDD community in building the next generation of intelligent computing systems.

cs.AI↗

arXiv2026

DT-BEHRT: Disease Trajectory-aware Transformer for Interpretable Patient Representation Learning

The growing adoption of electronic health record (EHR) systems has provided unprecedented opportunities for predictive modeling to guide clinical decision making. Structured EHRs contain longitudinal observations of patients across hospital visits, where each visit is represented by a set of medical codes. While sequence-based, graph-based, and graph-enhanced sequence approaches have been developed to capture rich code interactions over time or within the same visits, they often overlook the inherent heterogeneous roles of medical codes arising from distinct clinical characteristics and contexts. To this end, in this study we propose the Disease Trajectory-aware Transformer for EHR (DT-BEHRT), a graph-enhanced sequential architecture that disentangles disease trajectories by explicitly modeling diagnosis-centric interactions within organ systems and capturing asynchronous progression patterns. To further enhance the representation robustness, we design a tailored pre-training methodology that combines trajectory-level code masking with ontology-informed ancestor prediction, promoting semantic alignment across multiple modeling modules. Extensive experiments on multiple benchmark datasets demonstrate that DT-BEHRT achieves strong predictive performance and provides interpretable patient representations that align with clinicians' disease-centered reasoning. The source code is publicly accessible at https://github.com/GatorAIM/DT-BEHRT.git.

cs.LG↗

arXiv2026

StockBench: Can LLM Agents Trade Stocks Profitably In Real-world Markets?

Large language models (LLMs) demonstrate strong potential as autonomous agents, with promising capabilities in reasoning, tool use, and sequential decision-making. While prior benchmarks have evaluated LLM agents in various domains, the financial domain remains underexplored, despite its significant economic value and complex reasoning requirements. Most existing financial benchmarks focus on static question-answering, failing to capture the dynamics of real-market trading. To address this gap, we introduce STOCKBENCH, a contamination-free benchmark designed to evaluate LLM agents in realistic, multi-month stock trading environments. Agents receive daily market signals -- including prices, fundamentals, and news -- and make sequential buy, sell, or hold decisions. Performance is measured using financial metrics such as cumulative return, maximum drawdown, and the Sortino ratio, capturing both profitability and risk management. We evaluate a wide range of state-of-the-art proprietary and open-source LLMs. Surprisingly, most models struggle to outperform the simple buy-and-hold baseline, while some models demonstrate the potential to achieve higher returns and stronger risk management. These findings highlight both the challenges and opportunities of LLM-based trading agents, showing that strong performance on static financial question-answering do not necessarily translate into effective trading behavior. We release STOCKBENCH as an open-source benchmark to enable future research on LLM-driven financial agents.

cs.LG↗

arXiv2026

Continuous Optimization for Feature Selection with Permutation-Invariant Embedding and Policy-Guided Search

Feature selection removes redundant features to enhanc performance and computational efficiency in downstream tasks. Existing works often struggle to capture complex feature interactions and adapt to diverse scenarios. Recent advances in this domain have incorporated generative intelligence to address these drawbacks by uncovering intricate relationships between features. However, two key limitations remain: 1) embedding feature subsets in a continuous space is challenging due to permutation sensitivity, as changes in feature order can introduce biases and weaken the embedding learning process; 2) gradient-based search in the embedding space assumes convexity, which is rarely guaranteed, leading to reduced search effectiveness and suboptimal subsets. To address these limitations, we propose a new framework that can: 1) preserve feature subset knowledge in a continuous embedding space while ensuring permutation invariance; 2) effectively explore the embedding space without relying on strong convex assumptions. For the first objective, we develop an encoder-decoder paradigm to preserve feature selection knowledge into a continuous embedding space. This paradigm captures feature interactions through pairwise relationships within the subset, removing the influence of feature order on the embedding. Moreover, an inducing point mechanism is introduced to accelerate pairwise relationship computations. For the second objective, we employ a policy-based reinforcement learning (RL) approach to guide the exploration of the embedding space. The RL agent effectively navigates the space by balancing multiple objectives. By prioritizing high-potential regions adaptively and eliminating the reliance on convexity assumptions, the RL agent effectively reduces the risk of converging to local optima. Extensive experiments demonstrate the effectiveness, efficiency, robustness and explicitness of our model.

cs.LG↗

arXiv2026

Robust and Efficient Tool Orchestration via Layered Execution Structures with Reflective Correction

Tool invocation is a core capability of agentic systems, yet failures often arise not from individual tool calls but from how multiple tools are organized and executed together. Existing approaches tightly couple tool execution with stepwise language reasoning or explicit planning, leading to brittle behavior and high execution overhead. To overcome these limitations, we revisit tool invocation from the perspective of tool orchestration. Our key insight is that effective orchestration does not require precise dependency graphs or fine-grained planning. Instead, a coarse-grained layer structure suffices to provide global guidance, while execution-time errors can be corrected locally. Specifically, we model tool orchestration as learning a layered execution structure that captures high-level tool dependencies, inducing layer-wise execution through context constraints. To handle execution-time failures, we introduce a schema-aware reflective correction mechanism that detects and repairs errors locally. This design confines errors to individual tool calls and avoids re-planning entire execution trajectories. This structured execution paradigm enables a lightweight and reusable orchestration component for agentic systems. Experimental results show that our approach achieves robust tool execution while reducing execution complexity and overhead. Code will be made publicly available.

cs.AI↗

arXiv2026

On Predictability of Reinforcement Learning Dynamics for Large Language Models

Recent advances in reasoning capabilities of large language models (LLMs) are largely driven by reinforcement learning (RL), yet the underlying parameter dynamics during RL training remain poorly understood. This work identifies two fundamental properties of RL-induced parameter updates in LLMs: (1) Rank-1 Dominance, where the top singular subspace of the parameter update matrix nearly fully determines reasoning improvements, recovering over 99\% of performance gains; and (2) Rank-1 Linear Dynamics, where this dominant subspace evolves linearly throughout training, enabling accurate prediction from early checkpoints. Extensive experiments across 8 LLMs and 7 algorithms validate the generalizability of these properties. More importantly, based on these findings, we propose AlphaRL, a plug-in acceleration framework that extrapolates the final parameter update using a short early training window, achieving up to 2.5 speedup while retaining \textgreater 96\% of reasoning performance without extra modules or hyperparameter tuning. This positions our finding as a versatile and practical tool for large-scale RL, opening a path toward principled, interpretable, and efficient training paradigm for LLMs.

cs.LG↗

arXiv2026

R-Diverse: Mitigating Diversity Illusion in Self-Play LLM Training

Self-play bootstraps LLM reasoning through an iterative Challenger-Solver loop: the Challenger is trained to generate questions that target the Solver's capabilities, and the Solver is optimized on the generated data to expand its reasoning skills. However, existing frameworks like R-Zero often exhibit non-sustained improvement, where early gains degrade as self-play continues. We identify a key failure mode, Diversity Illusion, where the Solver's training signals appear diverse yet collapse into recurring underlying patterns. It manifests as (1) Local Diversity Illusion, where diversity is enforced only within-batch, inducing cross-iteration mode cycling; and (2) Surface Diversity Illusion, where questions vary superficially but require near-identical reasoning skills. To mitigate them, we propose R-Diverse with two aligned innovations: Memory-Augmented Penalty (MAP), which uses a persistent memory bank to discourage recycling across iterations, and Skill-Aware Measurement (SAM), which evaluates diversity by the reasoning skills exercised rather than surface variation of questions. Across 10 math and general reasoning benchmarks, R-Diverse sustains gains over more iterations and consistently outperforms prior self-play methods. Code is available at https://github.com/Gengsheng-Li/R-Diverse.

cs.LG↗

arXiv2026

Active Zero: Self-Evolving Vision-Language Models through Active Environment Exploration

Self-play has enabled large language models to autonomously improve through self-generated challenges. However, existing self-play methods for vision-language models rely on passive interaction with static image collections, resulting in strong dependence on initial datasets and inefficient learning. Without the ability to actively seek visual data tailored to their evolving capabilities, agents waste computational effort on samples that are either trivial or beyond their current skill level. To address these limitations, we propose Active-Zero, a framework that shifts from passive interaction to active exploration of visual environments. Active-Zero employs three co-evolving agents: a Searcher that retrieves images from open-world repositories based on the model's capability frontier, a Questioner that synthesizes calibrated reasoning tasks, and a Solver refined through accuracy rewards. This closed loop enables self-scaffolding auto-curricula where the model autonomously constructs its learning trajectory. On Qwen2.5-VL-7B-Instruct across 12 benchmarks, Active-Zero achieves 53.97 average accuracy on reasoning tasks (5.7% improvement) and 59.77 on general understanding (3.9% improvement), consistently outperforming existing self-play baselines. These results highlight active exploration as a key ingredient for scalable and adaptive self-evolving vision-language systems.

cs.CV↗

arXiv2026

WildReward: Learning Reward Models from In-the-Wild Human Interactions

Reward models (RMs) are crucial for the training of large language models (LLMs), yet they typically rely on large-scale human-annotated preference pairs. With the widespread deployment of LLMs, in-the-wild interactions have emerged as a rich source of implicit reward signals. This raises the question: Can we develop reward models directly from in-the-wild interactions? In this work, we explore this possibility by adopting WildChat as an interaction source and proposing a pipeline to extract reliable human feedback, yielding 186k high-quality instances for training WildReward via ordinal regression directly on user feedback without preference pairs. Extensive experiments demonstrate that WildReward achieves comparable or even superior performance compared to conventional reward models, with improved calibration and cross-sample consistency. We also observe that WildReward benefits directly from user diversity, where more users yield stronger reward models. Finally, we apply WildReward to online DPO training and observe significant improvements across various tasks. Code and data are released at https://github.com/THU-KEG/WildReward.

cs.CL↗

arXiv2026

MM-THEBench: Do Reasoning MLLMs Think Reasonably?

Recent advances in multimodal large language models (MLLMs) mark a shift from non-thinking models to post-trained reasoning models capable of solving complex problems through thinking. However, whether such thinking mitigates hallucinations in multimodal perception and reasoning remains unclear. Self-reflective reasoning enhances robustness but introduces additional hallucinations, and subtle perceptual errors still result in incorrect or coincidentally correct answers. Existing benchmarks primarily focus on models before the emergence of reasoning MLLMs, neglecting the internal thinking process and failing to measure the hallucinations that occur during thinking. To address these challenges, we introduce MM-THEBench, a comprehensive benchmark for assessing hallucinations of intermediate CoTs in reasoning MLLMs. MM-THEBench features a fine-grained taxonomy grounded in cognitive dimensions, diverse data with verified reasoning annotations, and a multi-level automated evaluation framework. Extensive experiments on mainstream reasoning MLLMs reveal insights into how thinking affects hallucination and reasoning capability in various multimodal tasks.

cs.CL↗

arXiv2026

User-Adaptive Meta-Learning for Cold-Start Medication Recommendation with Uncertainty Filtering

Large-scale Electronic Health Record (EHR) databases have become indispensable in supporting clinical decision-making through data-driven treatment recommendations. However, existing medication recommender methods often struggle with a user (i.e., patient) cold-start problem, where recommendations for new patients are usually unreliable due to the lack of sufficient prescription history for patient profiling. While prior studies have utilized medical knowledge graphs to connect medication concepts through pharmacological or chemical relationships, these methods primarily focus on mitigating the item cold-start issue and fall short in providing personalized recommendations that adapt to individual patient characteristics. Meta-learning has shown promise in handling new users with sparse interactions in recommender systems. However, its application to EHRs remains underexplored due to the unique sequential structure of EHR data. To tackle these challenges, we propose MetaDrug, a multi-level, uncertainty-aware meta-learning framework designed to address the patient cold-start problem in medication recommendation. MetaDrug proposes a novel two-level meta-adaptation mechanism, including self-adaptation, which adapts the model to new patients using their own medical events as support sets to capture temporal dependencies; and peer-adaptation, which adapts the model using similar visits from peer patients to enrich new patient representations. Meanwhile, to further improve meta-adaptation outcomes, we introduce an uncertainty quantification module that ranks the support visits and filters out the unrelated information for adaptation consistency. We evaluate our approach on the MIMIC-III and Acute Kidney Injury (AKI) datasets. Experimental results on both datasets demonstrate that MetaDrug consistently outperforms state-of-the-art medication recommendation methods on cold-start patients.

cs.LG↗

arXiv2026

Thinking Traps in Long Chain-of-Thought: A Measurable Study and Trap-Aware Adaptive Restart

Scaling test-time compute via Long Chain-of-Thought (Long-CoT) significantly enhances reasoning capabilities, yet extended generation does not guarantee correctness: after an early wrong commitment, models may keep elaborating a self-consistent but incorrect prefix. Through fine-grained trajectory analysis, we identify Thinking Traps, prefix-dominant deadlocks where later reflection, alternative attempts, or verification fails to revise the root error. On a curated subset of DAPO-MATH, 89\% of failures exhibit such traps. To solve this problem, we introduce TAAR (Trap-Aware Adaptive Restart), a test-time control framework that trains a diagnostic policy to predict two signals from partial trajectories: a trap index for where to truncate and an escape probability for whether and how strongly to intervene. At inference time, TAAR truncates the trajectory before the predicted trap segment and adaptively restarts decoding; for severely trapped cases, it applies stronger perturbations, including higher-temperature resampling and an optional structured reboot suffix. Experiments on challenging mathematical and scientific reasoning benchmarks (AIME24, AIME25, GPQA-Diamond, HMMT25, BRUMO25) show that TAAR improves reasoning performance without fine-tuning base model parameters.

cs.AI↗

arXiv2026

Towards a Mechanistic Understanding of Large Reasoning Models: A Survey of Training, Inference, and Failures

Reinforcement learning (RL) has catalyzed the emergence of Large Reasoning Models (LRMs) that have pushed reasoning capabilities to new heights. While their performance has garnered significant excitement, exploring the internal mechanisms driving these behaviors has become an equally critical research frontier. This paper provides a comprehensive survey of the mechanistic understanding of LRMs, organizing recent findings into three core dimensions: 1) training dynamics, 2) reasoning mechanisms, and 3) unintended behaviors. By synthesizing these insights, we aim to bridge the gap between black-box performance and mechanistic transparency. Finally, we discuss under-explored challenges to outline a roadmap for future mechanistic studies, including the need for applied interpretability, improved methodologies, and a unified theoretical framework.

cs.CL↗

arXiv2025

Auxiliary Metrics Help Decoding Skill Neurons in the Wild

Large language models (LLMs) exhibit remarkable capabilities across a wide range of tasks, yet their internal mechanisms remain largely opaque. In this paper, we introduce a simple, lightweight, and broadly applicable method with a focus on isolating neurons that encode specific skills. Building upon prior work that identified "skill neurons" via soft prompt training on classification tasks, our approach extends the analysis to complex scenarios involving multiple skills. We correlate neuron activations with auxiliary metrics -- such as external labels and the model's own confidence score -- thereby uncovering interpretable and task-specific behaviors without the need for manual token aggregation. We empirically validate our method on tasks spanning open-ended text generation and natural language inference, demonstrating its ability to detect neurons that not only drive known skills but also reveal previously unidentified shortcuts in arithmetic reasoning on BigBench.

cs.CL↗

arXiv2025

How do Transformers Learn Implicit Reasoning?

Recent work suggests that large language models (LLMs) can perform multi-hop reasoning implicitly -- producing correct answers without explicitly verbalizing intermediate steps -- but the underlying mechanisms remain poorly understood. In this paper, we study how such implicit reasoning emerges by training transformers from scratch in a controlled symbolic environment. Our analysis reveals a three-stage developmental trajectory: early memorization, followed by in-distribution generalization, and eventually cross-distribution generalization. We find that training with atomic triples is not necessary but accelerates learning, and that second-hop generalization relies on query-level exposure to specific compositional structures. To interpret these behaviors, we introduce two diagnostic tools: cross-query semantic patching, which identifies semantically reusable intermediate representations, and a cosine-based representational lens, which reveals that successful reasoning correlates with the cosine-base clustering in hidden space. This clustering phenomenon in turn provides a coherent explanation for the behavioral dynamics observed across training, linking representational structure to reasoning capability. These findings provide new insights into the interpretability of implicit multi-hop reasoning in LLMs, helping to clarify how complex reasoning processes unfold internally and offering pathways to enhance the transparency of such models.

cs.LG↗

arXiv2025

Towards Understanding Safety Alignment: A Mechanistic Perspective from Safety Neurons

Large language models (LLMs) excel in various capabilities but pose safety risks such as generating harmful content and misinformation, even after safety alignment. In this paper, we explore the inner mechanisms of safety alignment through the lens of mechanistic interpretability, focusing on identifying and analyzing safety neurons within LLMs that are responsible for safety behaviors. We propose inference-time activation contrasting to locate these neurons and dynamic activation patching to evaluate their causal effects on model safety. Experiments on multiple prevalent LLMs demonstrate that we can consistently identify about $5\%$ safety neurons, and by only patching their activations we can restore over $90\%$ of the safety performance across various red-teaming benchmarks without influencing general ability. The finding of safety neurons also helps explain the ''alignment tax'' phenomenon by revealing that the key neurons for model safety and helpfulness significantly overlap, yet they require different activation patterns for the same neurons. Furthermore, we demonstrate an application of our findings in safeguarding LLMs by detecting unsafe outputs before generation. The source code is available at https://github.com/THU-KEG/SafetyNeuron.

cs.CL↗

arXiv2025

LLMAEL: Large Language Models are Good Context Augmenters for Entity Linking

Specialized entity linking (EL) models are well-trained at mapping mentions to unique knowledge base (KB) entities according to a given context. However, specialized EL models struggle to disambiguate long-tail entities due to their limited training data. Meanwhile, extensively pre-trained large language models (LLMs) possess broader knowledge of uncommon entities. Yet, with a lack of specialized EL training, LLMs frequently fail to generate accurate KB entity names, limiting their standalone effectiveness in EL. With the observation that LLMs are more adept at context generation instead of EL execution, we introduce LLM-Augmented Entity Linking (LLMAEL), the first framework to enhance specialized EL models with LLM data augmentation. LLMAEL leverages off-the-shelf, tuning-free LLMs as context augmenters, generating entity descriptions to serve as additional input for specialized EL models. Experiments show that LLMAEL sets new state-of-the-art results across 6 widely adopted EL benchmarks: compared to prior methods that integrate tuning-free LLMs into EL, LLMAEL achieves an absolute 8.9% gain in EL accuracy. We release our code and datasets.

cs.CL↗

arXiv2025

AtomR: Atomic Operator-Empowered Large Language Models for Heterogeneous Knowledge Reasoning

Despite the outstanding capabilities of large language models (LLMs), knowledge-intensive reasoning still remains a challenging task due to LLMs' limitations in compositional reasoning and the hallucination problem. A prevalent solution is to employ chain-of-thought (CoT) with retrieval-augmented generation (RAG), which first formulates a reasoning plan by decomposing complex questions into simpler sub-questions, and then applies iterative RAG at each sub-question. However, prior works exhibit two crucial problems: inadequate reasoning planning and poor incorporation of heterogeneous knowledge. In this paper, we introduce AtomR, a framework for LLMs to conduct accurate heterogeneous knowledge reasoning at the atomic level. Inspired by how knowledge graph query languages model compositional reasoning through combining predefined operations, we propose three atomic knowledge operators, a unified set of operators for LLMs to retrieve and manipulate knowledge from heterogeneous sources. First, in the reasoning planning stage, AtomR decomposes a complex question into a reasoning tree where each leaf node corresponds to an atomic knowledge operator, achieving question decomposition that is highly fine-grained and orthogonal. Subsequently, in the reasoning execution stage, AtomR executes each atomic knowledge operator, which flexibly selects, retrieves, and operates atomic level knowledge from heterogeneous sources. We also introduce BlendQA, a challenging benchmark specially tailored for heterogeneous knowledge reasoning. Experiments on three single-source and two multi-source datasets show that AtomR outperforms state-of-the-art baselines by a large margin, with F1 score improvements of 9.4% on 2WikiMultihop and 9.5% on BlendQA. We release our code and datasets.

cs.CL↗