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Yaliang Li

Publications and source records attributed to Yaliang Li.

At least 19 recordsLinked to original sources
arXiv2026

Beyond Solvability: Task Learnability as a Static Prior for LLM RL Post-Training

Reinforcement learning (RL) has become a central post-training paradigm for eliciting reasoning capabilities in large language models, yet uniform task sampling allocates compute without regard to differences in how tasks respond to optimization. Existing task-valuation methods mostly rely on snapshot-based signals such as current pass rate or reward, which estimate how solvable a task is under the current policy. However, tasks with similar current solvability can still differ substantially in how positively they respond to further training. We study this residual axis as task learnability: a regime-conditional measure of expected positive response to continued training under a fixed RL post-training regime. By analyzing per-task reward trajectories, we find that learnability is reproducible across independently sampled training contexts and predictive of downstream utility. To make this signal practical before training begins, we propose TrajVal, a lightweight probe-based estimator that approximates per-task learnability from a short probe run and two endpoint evaluations. TrajVal can be used either as a standalone static prior for task sampling or as a multiplicative prior for existing online schedulers. Experiments on mathematical and logical reasoning benchmarks across multiple model scales show that TrajVal improves data efficiency over uniform sampling and provides complementary gains when combined with online scheduling methods.

cs.LG↗
arXiv2026

BOUND: Brief-Guided Corrective Preference Distillation at Search-Control Boundaries

Large language model (LLM)-based deep search agents solve tasks through iterative retrieval and reasoning, but locally relevant evidence can cause persistent wrong-anchor drift, constraint drift, or local-topic drift. Existing methods supervise trajectories, outcomes, or steps, but rarely distinguish task-aligned continuations from locally plausible ones that reinforce drift. We propose BOUND, a brief-guided corrective preference distillation framework for persistent search drift. For each student-induced decision-time state, BOUND constructs a teacher-side search-state brief that preserves the original search target and key constraints while summarizing confirmed evidence, missing information, and drift status. Guided by the brief, the teacher determines whether the student's continuation contains a correctable local search-control error likely to affect subsequent decisions. Together with the rollout outcome, this assessment determines whether to construct a corrective contrast between a student-specific correction and the original continuation, or a termination contrast between a supported answer and an unnecessary retrieval continuation. Each validated state-matched preference pair operationalizes a search-control boundary. Direct preference optimization (DPO) distills these preferences into the student, while the brief and teacher-side computation remain confined to training. We evaluate BOUND on four multi-hop QA benchmarks and three deep-search benchmarks. Across the six benchmarks for which we reran baselines, BOUND leads on five datasets and 12 of 14 metrics. Under the same search-control interface and matched settings, BOUND outperforms Trajectory SFT by 5.6 EM points on Bamboogle and 4.8 accuracy points on BrowseComp-Plus. Code is available at https://github.com/RUCAIBox/BOUND.

cs.IR↗
arXiv2026

Private Direct Preference Optimization for LLM Alignment

Direct preference optimization (DPO) is now a standard method for aligning large language models (LLMs) using human preference data. Each DPO example contains a prompt and a pair of candidate model responses. While prompts and responses are often public or model-generated, the relative preference between responses reflects subjective judgments and can reveal sensitive attributes of annotators or end users. Off-the-shelf privacy-preserving approaches are not well matched to this structure, leading to unnecessary noise injection and biased updates in training. In this paper, we formalize preference privacy, a label-DP-style privacy notion for DPO that protects only the relative preference between candidate responses, assuming an adversary who already knows the prompt and responses. We then design PrivDPO, a DPO variant that enforces preference privacy while remaining compatible with large-scale LLM training. Our main observation is that, for neighboring examples differing only in their preference signal, the gradient difference lies on a one-dimensional preference axis determined solely by the text; all preference information flows through this axis. PrivDPO adds calibrated randomness only along this axis via an unbiased randomized rescaling of the DPO objective, avoiding per-example gradient operations. Our experiments on three alignment benchmarks and three LLM families show that PrivDPO consistently achieves strong privacy-utility trade-offs compared with privacy-preserving baselines.

cs.CR↗
arXiv2026

Hybrid Analysis for Secure MCP Tool Use in LLM Agents

The rapid development of large language model (LLM) agents has enabled their broad adoption across diverse real-world tasks. To standardize interactions between LLM agents and external environments, Model Context Protocol (MCP) tools have emerged as a de facto standard and have been widely integrated into these systems. However, the use of MCP tools also introduces new safety risks, as LLM agents can be induced to perform malicious or unauthorized actions. Although prior work has proposed defenses for securing tool use in LLM agents, most methods rely on static analysis, i.e., inspecting prompts and generated outputs, which limits the defense effectiveness and robustness. To address these limitations, we propose MTGuard, a hybrid analysis-based defense framework designed to safeguard the use of MCP tools in LLM agents by leveraging lifecycle-aware static-dynamic co-analysis. Extensive evaluation demonstrates that MTGuard effectively mitigates multiple categories of harmful tool use across different LLM agents while maintaining performance on benign user tasks.

cs.CR↗
arXiv2026

From Atomic Actions to Standard Operating Procedures: Iterative Tool Optimization for Self-Evolving LLM Agents

Tool utilization enables Large Language Model (LLM) agents to interact with the real world and resolve complex tasks. However, existing agent frameworks predominantly rely on static toolsets composed of granular atomic actions (e.g., basic file I/O or single-turn search), which forces agents to reinvent low-level logic for every recurring workflow, leading to increased reasoning overhead and failure rates. In this study, we propose that agents can achieve self-evolution by synthesizing these atomic actions into reusable Standard Operating Procedures (SOPs), which function as callable higher-order tools that encapsulate multi-step logic. We further introduce EvoSOP, a framework that empowers agents to extract SOPs from execution trajectories and iteratively optimize the toolset through a systematic lifecycle of construction, merging, evaluation, and pruning. Extensive experiments demonstrate that EvoSOP significantly boosts task success rates while substantially reducing the number of interaction rounds compared to baselines. Our analysis also reveals that iterative tool optimization fosters reliable and efficient tool-use patterns, providing a scalable pathway for the development of self-evolving agents.

cs.AI↗
arXiv2026

MolSight: A Graph-Aware Vision-Language Model for Unified Chemical Image Understanding

Using molecular large language models (LLMs) as a unified framework for understanding molecular structures and functions is emerging as a new trend in tasks such as molecular design and drug discovery. However, these models struggle to fully capture the visual representation of molecular structures, limiting their potential. While existing molecular vision-language models (VLMs) show promise, they still face challenges in structural alignment and lack the necessary topological modeling for accurate molecular understanding. To address this, we propose MolSight, a graph-aware vision-language model framework designed to enhance the understanding of molecular images by VLMs. MolSight integrates a Molecular Topology Module to inject chemical-bond adjacency information into vision tokens, and a Molecular Grounding Module to align visual features with chemical symbolic semantics. Our experiments demonstrate that MolSight significantly outperforms existing VLMs, molecular LLMs, and task-specific models across multiple chemical visual understanding tasks, achieving a new level of molecular image reasoning in complex chemical scenarios.

cs.CV↗
arXiv2026

CDR-Bench: Evaluating Faithful Execution of Compositional, Order-Sensitive Data Refinement Recipes

Data refinement involves executing multi-step recipes over evolving text states, where both composition and execution order of processing operators determine the outcome. While existing benchmarks either isolate text editing or entangle it with code and tool execution, it remains unclear whether LLMs can directly and faithfully execute these compositional, order-sensitive data refinement recipes. To fill this gap, we introduce CDR-Bench, a comprehensive benchmark featuring 3,462 high-quality tasks spanning four real-world data refinement domains and 29 distinct operators. Our benchmark evaluates models across atomic, order-agnostic, and order-sensitive settings, leveraging deterministic reference outputs to enable exact evaluation. Experiments on 10+ state-of-the-art LLMs reveal consistent failure patterns: performance degrades sharply in compositional settings, and order-sensitive recipe success collapses. These findings underline that current LLMs lack the procedural faithfulness required for reliable compositional data refinement.

cs.AI↗
arXiv2026

Connect the Dots: Training LLMs for Long-Lifecycle Agents with Cross-Domain Generalization Via Reinforcement Learning

This work presents a general framework for training large language models (LLMs) to "Connect the Dots" (CoD), a meta-capability required by long-lifecycle agents: as an LLM-based AI agent gets deployed in an environment, it solves a long sequence of tasks while continuously exploring the environment, learning from its own experiences, and iteratively self-updating its context about the environment, thereby achieving progressively better performance on future tasks conditioned on the updated context. Major components of the CoD framework include: (1) algorithm design and infrastructure for end-to-end reinforcement learning (RL) with long rollout sequences interleaving solve-task and update-context episodes; (2) tasks and environments for incentivizing and eliciting the targeted meta-capability in LLMs during training, as well as for faithfully measuring progress during evaluation. We present proof-of-concept implementations of the CoD framework, including a GRPO-style RL algorithm with fine-grained credit assignment, as well as tasks and environments tailored to the targeted meta-capability (rather than domain-specific LLM capabilities or standard task-by-task RL). Empirical results validate the efficacy of end-to-end RL training in the CoD setting, and demonstrate the potential for out-of-distribution generalization -- within the training domains, across different domains, and from CoD to Ralph-loop settings -- of the elicited meta-capability. Our investigation of CoD connects several lines of prior works, and opens up new opportunities for advancing LLMs and AI agents. To facilitate further research and applications, we release our implementations at \url{https://github.com/agentscope-ai/Trinity-RFT/tree/research/cod/examples/research_cod}.

cs.LG↗
arXiv2026

Beyond Domains: Reusing Web Skills via Transferable Interaction Patterns

Large language model (LLM) web agents are usually deployed as tool callers: each turn, the model reads a fresh page observation and emits one structured tool action. When every action is a low-level primitive, horizons grow quickly and so do policy-facing LLM completions, dominating latency and cost on benchmarks such as Mind2Web and WebArena. Recent systems therefore wrap repeated interaction fragments as web skills: callable tools built from successful trajectories or induced programs, so one call can replace several primitives. However, prior skill libraries are still triggered mainly by instruction similarity or coarse site metadata, which yields low skill reuse on held-out sites and leaves much of the potential step and token reduction on the table. We present SkillMigrator, an agent that learns reusable web skills and transfers them across sites by matching layout structure rather than specific element references. Each induced skill is stored as a transferable interaction pattern (TIP): the skill paired with a structural sketch of the snapshot at induction time. At test time, SkillMigrator retrieves TIPs by layout similarity and grounds their references on the live page. The rest of the stack is standard: accessibility-snapshot observations with stable references, and fixed tool calling over primitives plus skill invocations. Compared with the state-of-the-art approaches, SkillMigrator reduces the average LLM-action count on successful trajectories by 8-10% across both WebArena and Mind2Web at matched success rate.

cs.AI↗
arXiv2026

Learning Agent-Compatible Context Management for Long-Horizon Tasks

LLM agents increasingly face long-horizon tasks such as web search and deep research in real-world applications, where accumulated context can cause long-context degradation and reasoning failures. Prior work mitigates this through context management with agent-side context control or fixed strategies such as summarization, which require training the agent itself for adaptation - making it impractical for closed-source agents and ignoring that different agents may require different strategies. We introduce Adaptive Context Management (AdaCoM), which trains an external LLM to manage the context of a frozen agent through flexible modification actions and end-to-end reinforcement learning. Across diverse agents on web search and deep research benchmarks, AdaCoM substantially improves performance by preserving task constraints and progress while pruning stale content. The learned strategies reveal a Fidelity-Reliability Trade-off: agents with higher vanilla ReAct performance benefit from higher-fidelity context preservation, whereas lower-performing agents require more aggressive compression to stay within a reliable reasoning regime. Transfer experiments show that AdaCoM generalizes most effectively across agents with similar capability (measured by vanilla ReAct performance), suggesting a practical path toward reusable context managers for agent systems.

cs.AI↗
arXiv2026

TCOD: Exploring Temporal Curriculum in On-Policy Distillation for Multi-turn Autonomous Agents

On-policy distillation (OPD) has shown strong potential for transferring reasoning ability from frontier or domain-specific models to smaller students. While effective on static single-turn tasks, its behavior in multi-turn agent settings remains underexplored. In this work, we identify a key limitation of vanilla OPD in such settings, which we term Trajectory-Level KL Instability. Specifically, we observe that KL divergence increases together with a drop in success rate, and even after convergence, the KL remains high, leading to unstable training. This instability arises from inter-turn error compounding: as errors accumulate, the student is driven beyond the teacher's effective support, rendering the supervision signal unreliable. To address this, we propose TCOD (Temporal Curriculum On-Policy Distillation), a simple yet effective framework that controls the trajectory depth exposed to the student and progressively expands it from short to long with a curriculum schedule. Experimental results across four student-teacher pairs on three multi-turn agent benchmarks (ALFWorld, WebShop, ScienceWorld) show that TCOD mitigates KL escalation and enhances KL stability throughout training, improving agent performance by up to 18 points over vanilla OPD. Further evaluations show that TCOD can even surpass the teacher's performance and generalize to tasks on which the teacher fails. Our code is available at https://github.com/kokolerk/TCOD.

cs.LG↗
arXiv2026

BindCLIP: A Unified Contrastive-Generative Representation Learning Framework for Virtual Screening

Virtual screening aims to efficiently identify active ligands from massive chemical libraries for a given target pocket. Recent CLIP-style models such as DrugCLIP enable scalable virtual screening by embedding pockets and ligands into a shared space. However, our analyses indicate that such representations can be insensitive to fine-grained binding interactions and may rely on shortcut correlations in training data, limiting their ability to rank ligands by true binding compatibility. To address these issues, we propose BindCLIP, a unified contrastive-generative representation learning framework for virtual screening. BindCLIP jointly trains pocket and ligand encoders using CLIP-style contrastive learning together with a pocket-conditioned diffusion objective for binding pose generation, so that pose-level supervision directly shapes the retrieval embedding space toward interaction-relevant features. To further mitigate shortcut reliance, we introduce hard-negative augmentation and a ligand-ligand anchoring regularizer that prevents representation collapse. Experiments on two public benchmarks demonstrate consistent improvements over strong baselines. BindCLIP achieves substantial gains on challenging out-of-distribution virtual screening and improves ligand-analogue ranking on the FEP+ benchmark. Together, these results indicate that integrating generative, pose-level supervision with contrastive learning yields more interaction-aware embeddings and improves generalization in realistic screening settings, bringing virtual screening closer to real-world applicability.

cs.LG↗
arXiv2026

Spectral Evolution Search: Efficient Inference-Time Scaling for Reward-Aligned Image Generation

Inference-time scaling offers a versatile paradigm for aligning visual generative models with downstream objectives without parameter updates. However, existing approaches that optimize the high-dimensional initial noise suffer from severe inefficiency, as many search directions exert negligible influence on the final generation. We show that this inefficiency is closely related to a spectral bias in generative dynamics: model sensitivity to initial perturbations diminishes rapidly as frequency increases. Building on this insight, we propose Spectral Evolution Search (SES), a plug-and-play framework for initial noise optimization that executes gradient-free evolutionary search within a low-frequency subspace. Theoretically, we derive the Spectral Scaling Prediction from perturbation propagation dynamics, which explains the systematic differences in the impact of perturbations across frequencies. Extensive experiments demonstrate that SES significantly advances the Pareto frontier of generation quality versus computational cost, consistently outperforming strong baselines under equivalent budgets.

cs.LG↗
arXiv2026

VIRAL: Visual In-Context Reasoning via Analogy in Diffusion Transformers

Replicating In-Context Learning (ICL) in computer vision remains challenging due to task heterogeneity. We propose \textbf{VIRAL}, a framework that elicits visual reasoning from a pre-trained image editing model by formulating ICL as conditional generation via visual analogy ($x_s : x_t :: x_q : y_q$). We adapt a frozen Diffusion Transformer (DiT) using role-aware multi-image conditioning and introduce a Mixture-of-Experts LoRA to mitigate gradient interference across diverse tasks. Additionally, to bridge the gaps in current visual context datasets, we curate a large-scale dataset spanning perception, restoration, and editing. Experiments demonstrate that VIRAL outperforms existing methods, validating that a unified V-ICL paradigm can handle the majority of visual tasks, including open-domain editing. Our code is available at https://anonymous.4open.science/r/VIRAL-744A

cs.CV↗
arXiv2026

On the Entropy Dynamics in Reinforcement Fine-Tuning of Large Language Models

Entropy serves as a critical metric for measuring the diversity of outputs generated by large language models (LLMs), providing valuable insights into their exploration capabilities. While recent studies increasingly focus on monitoring and adjusting entropy to better balance exploration and exploitation in reinforcement fine-tuning (RFT), a principled understanding of entropy dynamics during this process is yet to be thoroughly investigated. In this paper, we establish a theoretical framework for analyzing the entropy dynamics during the RFT process, which begins with a discriminant expression that quantifies entropy change under a single logit update. This foundation enables the derivation of a first-order expression for entropy change, which can be further extended to the update formula of Group Relative Policy Optimization (GRPO). The corollaries and insights drawn from the theoretical analysis inspire the design of entropy control methods, and also offer a unified lens for interpreting various entropy-based methods in existing studies. We provide empirical evidence to support the main conclusions of our analysis and demonstrate the effectiveness of the derived entropy-discriminator clipping methods. This study yields novel insights into RFT training dynamics, providing theoretical support and practical strategies for optimizing the exploration-exploitation balance during LLM fine-tuning.

cs.LG↗
arXiv2026

IntentRL: Training Proactive User-intent Agents for Open-ended Deep Research via Reinforcement Learning

Deep Research (DR) agents extend Large Language Models (LLMs) beyond parametric knowledge by autonomously retrieving and synthesizing evidence from large web corpora into long-form reports, enabling a long-horizon agentic paradigm. However, unlike real-time conversational assistants, DR is computationally expensive and time-consuming, creating an autonomy-interaction dilemma: high autonomy on ambiguous user queries often leads to prolonged execution with unsatisfactory outcomes. To address this, we propose IntentRL, a framework that trains proactive agents to clarify latent user intents before starting long-horizon research. To overcome the scarcity of open-ended research data, we introduce a scalable pipeline that expands a few seed samples into high-quality dialogue turns via a shallow-to-deep intent refinement graph. We further adopt a two-stage reinforcement learning (RL) strategy: Stage I applies RL on offline dialogues to efficiently learn general user-interaction behavior, while Stage II uses the trained agent and a user simulator for online rollouts to strengthen adaptation to diverse user feedback. Extensive experiments show that IntentRL significantly improves both intent hit rate and downstream task performance, outperforming the built-in clarify modules of closed-source DR agents and proactive LLM baselines.

cs.AI↗
arXiv2026

Enhancing Multimodal Retrieval via Complementary Information Extraction and Alignment

Multimodal retrieval has emerged as a promising yet challenging research direction in recent years. Most existing studies in multimodal retrieval focus on capturing information in multimodal data that is similar to their paired texts, but often ignores the complementary information contained in multimodal data. In this study, we propose CIEA, a novel multimodal retrieval approach that employs Complementary Information Extraction and Alignment, which transforms both text and images in documents into a unified latent space and features a complementary information extractor designed to identify and preserve differences in the image representations. We optimize CIEA using two complementary contrastive losses to ensure semantic integrity and effectively capture the complementary information contained in images. Extensive experiments demonstrate the effectiveness of CIEA, which achieves significant improvements over both divide-and-conquer models and universal dense retrieval models. We provide an ablation study, further discussions, and case studies to highlight the advancements achieved by CIEA. To promote further research in the community, we have released the source code at https://github.com/zengdlong/CIEA.

cs.AI↗
arXiv2026

R$^3$L: Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification

Reinforcement learning drives recent advances in LLM reasoning and agentic capabilities, yet current approaches struggle with both exploration and exploitation. Exploration suffers from low success rates on difficult tasks and high costs of repeated rollouts from scratch. Exploitation suffers from coarse credit assignment and training instability: Trajectory-level rewards penalize valid prefixes for later errors, and failure-dominated groups overwhelm the few positive signals, leaving optimization without constructive direction. To this end, we propose R$^3$L, Reflect-then-Retry Reinforcement Learning with Language-Guided Exploration, Pivotal Credit, and Positive Amplification. To synthesize high-quality trajectories, R$^3$L shifts from stochastic sampling to active synthesis via reflect-then-retry, leveraging language feedback to diagnose errors, transform failed attempts into successful ones, and reduce rollout costs by restarting from identified failure points. With errors diagnosed and localized, Pivotal Credit Assignment updates only the diverging suffix where contrastive signals exist, excluding the shared prefix from gradient update. Since failures dominate on difficult tasks and reflect-then-retry produces off-policy data, risking training instability, Positive Amplification upweights successful trajectories to ensure positive signals guide the optimization process. Experiments on agentic and reasoning tasks demonstrate 5\% to 52\% relative improvements over baselines while maintaining training stability. Our code is released at https://github.com/shiweijiezero/R3L.

cs.LG↗