arXiv subjects

Li Yuan

Publications and source records attributed to Li Yuan.

At least 37 records · Page 2Linked to original sources

arXiv2026

LatentChem: From Textual CoT to Latent Thinking in Chemical Reasoning

Current chemical large language models (LLMs) predominantly rely on explicit Chain-of-Thought (CoT) to solve complex reasoning problems. However, forcing nonverbal tacit chemical logic into discrete natural language imposes a fundamental ``modality mismatch,'' creating an artificial bottleneck for reasoning. We introduce LatentChem, a reasoning interface that decouples chemical logic from linguistic generation, enabling the model to process information via continuous thought vectors and dynamic perception. Our investigation reveals a pivotal emergent behavior: spontaneous internalization, defined here as self-selected under outcome-only optimization. When optimized for task success, the model abandons verbose textual derivations in favor of implicit latent computation, suggesting that it identifies the continuous manifold as a more native substrate for chemical logic. This paradigm shift also proves to be a superior computational strategy: LatentChem achieves a 59.88\% non-tie win rate against the strong CoT baseline on the rigorous ChemCoTBench, while delivering a broad 10.84$\times$ average reduction in reasoning step overhead (5.96$\times$ wall-clock speedup) across all evaluated benchmarks. Our results provide empirical evidence that chemical reasoning is more naturally and effectively realized as continuous latent dynamics rather than discretized linguistic trajectories.

physics.chem-ph↗

arXiv2026

Hypothesis-and-Refinement Learning of Organic Structures from Multimodal Spectroscopic Data

Determining molecular structures from spectroscopic data remains fundamentally challenging because the inverse problem is intrinsically underdetermined: individual spectra are sparse, low-dimensional, and encode only partial structural evidence relative to the vast space of possible molecules. We address this challenge by formulating automated structure elucidation as a scalable hypothesis-refinement paradigm that tightly integrates spectral evidence with large-scale molecular priors. To supply structure-resolving NMR signals for multimodal learning, we construct \textbf{QM9SPIN}, a DFT-derived dataset comprising diverse 1D and 2D spectra, including J-coupling, DEPT experiments, and explicit spin--spin interactions. On this foundation, we introduce \textbf{SpectroMol}, a spectrum-to-structure model that proposes chemically valid molecular hypotheses conditioned on multimodal spectral inputs. Complementarily, we develop \textbf{MS-Mol2Mol}, a high-resolution mass-constrained molecular generator that integrates molecular formula, exact mass, and degree of unsaturation within a conditional generative prior trained on 400 million molecules, ensuring global compositional consistency and chemically realistic refinement. The integrated system achieves 93.8\% top-1 accuracy on the simulated benchmark, adapts effectively from simulated to experimental spectra with limited experimental fine-tuning, and further improves experimental predictions through mass-guided refinement, establishing a scalable route toward automated, data-driven organic structure elucidation.

physics.chem-ph↗

arXiv2026

Truth or Sophistry? LoFa: A Benchmark for LLM Robustness Against Logical Fallacies

Large Language Models (LLMs) exhibit strong semantic capabilities, yet their resilience to manipulative linguistic patterns such as logical fallacies remains underexplored. Prior work has primarily examined whether LLMs can identify or classify fallacies, leaving their robustness against fallacious persuasion insufficiently studied. To address this gap, we introduce LoFa (Logical Fallacy), a comprehensive benchmark for evaluating LLM robustness against fallacies. LoFa is constructed through a multi-agent pipeline that pairs factual questions with fallacious arguments, and is accompanied by a multi-round debate framework for assessing model resilience under sustained adversarial persuasion. To disentangle fallacy robustness from a model's inherent knowledge limitations, we further propose Logical Fallacy Resistance at k (LFR@k), a metric that quantifies resistance to fallacious attacks. Experiments show that LLMs exhibit varying levels of robustness across different fallacy types, revealing distinct vulnerability profiles among models.

cs.CL↗

arXiv2026

GEAR: Guided End-to-End AutoRegression for Image Synthesis

Visual generative models are typically trained in two stages. A tokenizer is first trained for reconstruction and then frozen, after which a generator is trained on its discrete indices or continuous latents. This decoupling leaves the tokenizer unaware of what the generator finds easy to model. We present GEAR (Guided End-to-end AutoRegression), which trains a vector-quantized (VQ) tokenizer and an autoregressive (AR) generator jointly and end-to-end, guided by representation alignment. The key obstacle is that the VQ index fed to the AR model is non-differentiable, so gradients cannot reach the tokenizer, and a straight-through estimator collapses. GEAR resolves this with a dual read-out of the codebook assignment. A hard, one-hot branch trains the AR with next-token prediction, while a differentiable soft branch carries a representation-alignment loss that flows back to guide only the tokenizer. The AR model thereby steers its tokenizer toward an index distribution it can predict more easily. This shifts the alignment burden from the tokenizer to the AR: the tokenizer's own features become less DINOv2-like while the AR's become more so, the opposite of diffusion-side recipes that make the latent itself semantic. GEAR speeds up ImageNet gFID convergence by up to 10x relative to the strong LlamaGen-REPA baseline, learns markedly better patch-level and spatially-coherent features, and generalizes across quantizers (VQVAE, LFQ, IBQ) and to text-to-image generation.

cs.CV↗

arXiv2026

SyncCache: Exploiting Asymmetric Dynamics for Fast Audio-Driven Portrait Animation

Diffusion Transformers (DiTs) have significantly advanced audio-driven portrait animation, but their high computational cost leads to substantial inference latency. Although training-free diffusion caching accelerates inference significant, existing methods are primarily developed for text-conditioned generation and overlook the spatial and modality imbalances inherent in audio-driven portrait animation. In this paper, we propose SyncCache, a training-free caching acceleration method tailored for DiT-based portrait animation that explicitly exploits asymmetric dynamics. Specifically, high-frequency dynamics driven by audio conditions and concentrated in human regions are more challenging and critical to cache and reuse than the low-frequency visual background in portrait animation. First, we introduce Spatially-Asymmetric Probing to prioritize error sensitivity in dynamic human region. Second, through Modality-Decoupled Caching, we bypass heavy DiT block by reusing stable inter-block residuals, while continuously recomputing lightweight audio blocks to preserve precise lip synchronization. Furthermore, we introduce a cache ratio to control cache capacity and formulate memory-adaptive cache selection as an offline dynamic programming problem without online overhead. Extensive experiments demonstrate that SyncCache achieves superior speed-quality trade-offs, delivering up to 4.12x acceleration on HunyuanVideo-Avatar and 3.75x on Wan-S2V with near-lossless visual fidelity and precise audio alignment.

cs.CV↗

arXiv2026

V-Zero: Answer-Label-Free On-Policy Distillation with Contrastive Evidence Gating for Fine-Grained Visual Reasoning

Fine-grained visual reasoning requires multimodal large language models (MLLMs) to identify task-relevant visual evidence and ground their reasoning in local image regions. Existing agentic methods typically rely on reinforcement learning with verifiable rewards or supervised fine-tuning on large-scale annotated reasoning traces, leading to costly exploration, hand-designed verification rules, or heavy dependence on textual supervision. A natural way to avoid such external answer labels is to learn from trajectories sampled by the student itself, which points to On-Policy Distillation (OPD). To understand what OPD can and cannot provide for visual reasoning, we revisit it as negative-free stop-gradient alignment. This perspective shows that, although OPD provides effective token-level correction, its ceiling is constrained by the absence of trajectory-level discrimination. Motivated by these observations, we propose V-Zero, an answer-label-free framework for visual reasoning with contrastive evidence gating. V-Zero uses no annotated textual answer labels; instead, during training it pairs a question-relevant regional crop with a negative visual view to evaluate student-sampled trajectories and gate dense token-level distillation. Experiments on multiple visual reasoning benchmarks show that V-Zero consistently improves fine-grained visual reasoning while preserving strong generalization. Notably, V-Zero is more than 5$\times$ faster than previous supervised fine-tuning methods and more than 10$\times$ faster than reinforcement learning baselines. Code and dataset will be released at https://github.com/eVI-group-SCU/V-Zero

cs.CV↗

arXiv2026

From Structure to Synergy: A Survey of Vision-Language Perception Paradigm Evolution in Multimodal Large Language Models

Multimodal Large Language Models (MLLMs) have recently made remarkable progress in unifying vision-language understanding and reasoning, especially following the introduction of models such as OpenAI's O-series and DeepSeek's R-series, which have driven a paradigm shift toward perception-centric intelligence. However, there remains a lack of systematic surveys that examine perception from a truly unified vision-language perspective -- one that treats vision and language as an inseparable modality. Existing reviews are often fragmented, focusing separately on either vision or language, and thus rarely capture the cross-modal evolution of perception as an integrated capability. To bridge this gap, we present the first systematic survey of unified vision-language perception in MLLMs. Specifically, we (1) formalize MLLM perception as an intrinsic, unified vision-language capability analogous to human innate perception, (2) introduce a five-stage taxonomy tracing the paradigm evolution of MLLM perception and survey representative methods and milestones at each phase, and (3) identify open challenges and outline promising research directions toward truly general, unified multimodal intelligence. We hope our study will provide both a foundational understanding and an actionable roadmap to foster further innovation on the path toward artificial general intelligence (AGI).

cs.CL↗

arXiv2026

AsFT: Anchoring Safety During LLM Fine-Tuning Within Narrow Safety Basin

Fine-tuning large language models (LLMs) improves performance but introduces critical safety vulnerabilities: even minimal harmful data can severely compromise safety measures. We observe that perturbations orthogonal to the alignment direction - defined by weight differences between aligned (safe) and unaligned models - rapidly compromise model safety. In contrast, updates along the alignment direction largely preserve it, revealing the parameter space as a "narrow safety basin". To address this, we propose AsFT (Anchoring Safety in Fine-Tuning) to maintain safety by explicitly constraining update directions during fine-tuning. By penalizing updates orthogonal to the alignment direction, AsFT effectively constrains the model within the "narrow safety basin," thus preserving its inherent safety. Extensive experiments on multiple datasets and models show that AsFT reduces harmful behaviors by up to 7.60%, improves task performance by 3.44%, and consistently outperforms existing methods across multiple tasks.

cs.LG↗

arXiv2026

Chatlaw: A Multi-Agent Legal Assistant based on a Role-Aligned Mixture-of-Experts Architecture

Artificial Intelligence (AI) holds great potential in legal services, yet Large Language Models (LLMs) face two major challenges: limited knowledge of the Chinese legal system and vulnerability to hallucinations. To address these issues, we present Chatlaw, a multi-agent legal assistant. Chatlaw's framework is designed to emulate the Standard Operating Procedures (SOP) of real law firms, where different roles (e.g., assistant, researcher, senior lawyer) collaborate on a case. To computationally mirror this collaborative structure, we developed a novel Role-Aligned Mixture-of-Experts (RA-MoE) architecture. In this system, the internal "experts" are specifically trained to align with the distinct tasks of each agent role (e.g., inquiry, analysis, drafting). These specialized agents (Legal Assistant, Researcher, etc.) then form the collaborative framework. When they interact with users, retrieve legal knowledge, analyze case details, or generate reliable consultations, the RA-MoE architecture intelligently routes their computations to the corresponding dedicated expert, ensuring each step is handled by the most qualified parameters. In evaluations, Chatlaw surpasses general-purpose AI models, including GPT-4, achieving a 7.73% improvement in accuracy on the LawBench benchmark and an 11-point higher score on the Unified Qualification Exam for Legal Professionals. Real-case studies and expert assessments further confirm its robustness. Chatlaw enhances the accessibility and reliability of legal services, advancing the provision of legal support to the public.

cs.CL↗

arXiv2026

ChronoPhyBench: Do MLLMs Truly Understand the World or Merely Exploit Language Priors?

Recent advancements in Multimodal Large Language Models (MLLMs) have demonstrated remarkable proficiency in open-world reasoning and understanding. However, a critical ambiguity persists: it remains unclear whether these models genuinely synthesize cross-modal information to construct physically grounded reasoning chains, or if they merely exploit strong language priors to mask single-modality reliance, thereby hallucinating advanced multimodal capabilities. Motivated by this, and to rigorously mitigate language modality bias and shortcuts, we propose a novel multimodal Chrono}logical Physical Dynamics Reasoning Benchmark ChronoPhyBench, which unifies next state prediction with Visual Question Answering (VQA) paradigms by conditioning on historical video context and textual captions to enforce models to deduce subsequent physical states through both single image selection and the inherently more complex task of multiple frame chronological sorting. Concurrently, we construct a large-scale multimodal reasoning dataset curated using the ChronoPhyBench criteria, comprising over 10,000 long-form videos paired with meticulously annotated captions, totaling 5M tokens. Our experimental evaluations reveal a stark contrast to conclusions drawn by previous benchmarks. The capacity of current open-source models to perform physically grounded multimodal reasoning remains in its infancy. Ultimately, this work seeks to systematically stress-test the reasoning capabilities of multimodal models, quantify hallucination rates, and advance the development of Physical AI, thereby providing the community with a robust and transparent evaluation framework toward Artificial General Intelligence (AGI).

cs.CV↗

arXiv2026

From Answers to States: Verifiable Process-Level Evaluation of Chemical Reasoning in Large Language Models

Large language models are increasingly used as chemistry assistants, yet most chemistry benchmarks still score only final answers. This masks a critical failure mode: a model may output the correct molecule, product, or option while its reasoning violates chemical logic. Existing process-level evaluators are hard to scale because LLM judges and human step-level process annotation are costly, inconsistent, and vulnerable to hallucination. We introduce ChemCoTBench-V2, a rule-verifiable diagnostic benchmark for low-cost, auditable evaluation of structured, verifier-addressable chemical reasoning traces. It spans molecular understanding, molecule editing, molecular optimization, and reaction prediction, with 5,620 evaluation samples across 18 reporting tasks. Models must expose key intermediate steps in expert-designed templates, and those steps are checked with deterministic chemistry rules and, for closed-answer tasks, reference traces rather than another LLM judge. Open-ended molecular optimization is evaluated with oracle-verifiable state constraints rather than strict trace matching. The benchmark reports three separate signals: final-answer correctness, template adherence, and step-wise verifier correctness over expert-refined intermediate commitments. Experiments on frontier models reveal a persistent gap between final-answer success and structured-reasoning-state consistency: models often follow the requested format while failing chemical-step checks, or answer correctly with weak supporting reasoning. ChemCoTBench-V2 enables fine-grained model comparison and identifies the concrete step at which the trace first violates the verifier.

cs.AI↗

arXiv2026

WISE: A World Knowledge-Informed Semantic Evaluation for Text-to-Image Generation

Text-to-Image (T2I) models are capable of generating high-quality artistic creations and visual content. However, existing research and evaluation standards predominantly focus on image realism and shallow text-image alignment, lacking a comprehensive assessment of complex semantic understanding and world knowledge integration in text-to-image generation. To address this challenge, we propose \textbf{WISE}, the first benchmark specifically designed for \textbf{W}orld Knowledge-\textbf{I}nformed \textbf{S}emantic \textbf{E}valuation. WISE moves beyond simple word-pixel mapping by challenging models with 1000 meticulously crafted prompts across 25 subdomains in cultural common sense, spatio-temporal reasoning, and natural science. To overcome the limitations of traditional CLIP metric, we introduce \textbf{WiScore}, a novel quantitative metric for assessing knowledge-image alignment. Through comprehensive testing of 20 models (10 dedicated T2I models and 10 unified multimodal models) using 1,000 structured prompts spanning 25 subdomains, our findings reveal significant limitations in their ability to effectively integrate and apply world knowledge during image generation, highlighting critical pathways for enhancing knowledge incorporation and application in next-generation T2I models. Code and data are available at \href{https://github.com/PKU-YuanGroup/WISE}{PKU-YuanGroup/WISE}.

cs.CV↗

arXiv2026

DeblurNVS: Geometric Latent Diffusion for Novel View Synthesis from Sparse Motion-Blurred Images

Novel view synthesis (NVS) is a fundamental problem in computer vision and graphics. Recent advances in neural radiance fields (NeRF), 3D Gaussian Splatting (3DGS), and generative view synthesis have substantially improved its quality. Yet most methods still rely on clean observations, where image structures and cross-view geometric cues are well preserved. Motion blur breaks this assumption by corrupting local details and weakening multi-view correspondences. Such blur commonly arises from camera shake, scene motion, or finite exposure in practical capture. Blur-aware NVS methods address this degradation by modeling image formation, but their reliance on costly per-scene optimization limits efficient and generalizable sparse-view synthesis. To address this, we propose DeblurNVS, a novel framework for synthesizing high-fidelity novel views directly from sparse motion-blurred images, without requiring per-scene optimization. DeblurNVS restores the intermediate geometric representations needed for multi-view reasoning, enabling blurred inputs to recover reliable structure and correspondence cues. The restored representations are then combined with target camera information to synthesize the target-view representation and reconstruct a sharp RGB novel view. To enable the large-scale training, we construct a motion-blurred NVS dataset from DL3DV-10K using interpolation-based finite-exposure blur synthesis. Extensive experiments demonstrate that DeblurNVS outperforms existing baselines on synthetic motion-blur benchmarks and generalizes to real motion-blurred scenes, producing perceptually sharper and structurally more stable novel views while avoiding costly per-scene optimization. Project page: https://github.com/PKU-YuanGroup/DeblurNVS.

cs.CV↗

arXiv2026

OSP-Next: Efficient High-Quality Video Generation with Sparse Sequence Parallelism, HiF8 Quantization, and Reinforcement Learning

Diffusion Transformers achieve strong video generation quality, but the quadratic cost of full attention limits efficiency. We introduce OSP-Next, an efficient text-to-video generation model that integrates sparse attention, parallelism, quantization, and reinforcement learning. OSP-Next uses a hybrid full-sparse attention architecture, where the sparse component is implemented with Skiparse-2D Attention. This fixed-pattern mechanism applies token-wise and group-wise sparse attention along spatial dimensions, leveraging locality while maintaining native compatibility with FlashAttention kernels. Based on the local equivalence of rearrangement in Skiparse-2D Attention, we further propose Sparse Sequence Parallelism (SSP), which partitions subsequences across ranks and switches sparse patterns through a single All-to-All communication. Compared with Ulysses Sequence Parallelism (SP), SSP provides a native parallel strategy for sparse attention and reduces communication volume by 75%. OSP-Next also incorporates HiF8 quantization to enable stable joint training with 8-bit quantization and sparse fine-tuning, and applies Mix-GRPO post-training to improve the performance of the sparse model. Experiments show that OSP-Next achieves a VBench total score of 83.73%, surpassing the Wan2.1 baseline. Under the 5-second 720P and 5-second 768P settings, OSP-Next achieves up to 1.64$\times$ single-GPU speedup and over 1.52$\times$ eight-GPU speedup on NVIDIA H200 GPUs. In addition, with only a 0.4% drop in VBench total score, OSP-Next-HiF8 achieves 1.69$\times$ and 2.27$\times$ speedups under the two settings on a single Ascend 950PR, demonstrating the efficiency and performance of OSP-Next across hardware platforms.

cs.CV↗

arXiv2026

Sparse Orthogonal Parameters Tuning for Continual Learning

Continual learning methods based on pre-trained models (PTM) have recently gained attention which adapt to successive downstream tasks without catastrophic forgetting. These methods typically refrain from updating the pre-trained parameters and instead employ additional adapters, prompts, and classifiers. In this paper, we from a novel perspective investigate the benefit of sparse orthogonal parameters for continual learning. We found that merging sparse orthogonality of models learned from multiple streaming tasks has great potential in addressing catastrophic forgetting. Leveraging this insight, we propose a novel yet effective method called SoTU (Sparse Orthogonal Parameters TUning). We hypothesize that the effectiveness of SoTU lies in the transformation of knowledge learned from multiple domains into the fusion of orthogonal delta parameters. Experimental evaluations on diverse CL benchmarks demonstrate the effectiveness of the proposed approach. Notably, SoTU achieves optimal feature representation for streaming data without necessitating complex classifier designs, making it a Plug-and-Play solution.

cs.LG↗

arXiv2026

One-Way Policy Optimization for Self-Evolving LLMs

Reinforcement Learning with Verifiable Rewards (RLVR) has become a promising paradigm for scaling reasoning capabilities of Large Language Models (LLMs). However, the sparsity of binary verifier rewards often leads to low efficiency and optimization instability. To stabilize training, existing methods typically impose token-level constraints relative to a reference policy. We identify that such constraints penalize deviations indiscriminately; this can flip verifier-determined direction when the policy attempts to outperform the reference, thereby suppressing gains. To resolve this, we propose One-Way Policy Optimization (OWPO), a method based on the principle of decoupling optimization direction from update magnitude. In OWPO, the verifier dictates the update direction, while the reference policy serves only to adjust the magnitude. Specifically, OWPO applies asymmetric reweighting: it performs Accelerated Alignment for inferior deviations (where the policy lags behind the reference) and Gain Locking for superior deviations (where the policy surpasses the reference). Furthermore, by incorporating iterative reference updates, OWPO creates a ``Ratchet Effect'' that continuously consolidates gains. Experimental results demonstrate that OWPO outperforms strong baselines, including DAPO, OPD, and MOPD, breaking the bottleneck of fixed priors to enable continuous self-evolution without reliance on external reference models.

cs.LG↗

arXiv2026

Clipping Bottleneck: Stabilizing RLVR via Stochastic Recovery of Near-Boundary Signals

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as a central paradigm for scaling LLM reasoning, yet its optimization often suffers from training instability and suboptimal convergence. Through a systematic dissection of clipping-based GRPO-style objectives, we identify the rigid clipping decision induced by hard clipping as a key practical bottleneck in the studied RLVR setups. Specifically, our analysis suggests that informative signals can lie in the near-boundary region just beyond the clipping threshold, and are therefore discarded by the standard hard-clipping rule. Notably, once this bottleneck is precisely identified, even simple stochastic perturbations at the boundary can recover meaningful performance gains. Building on this finding, we propose Near-boundary Stochastic Rescue (NSR), a minimal, plug-and-play modification that stochastically retains these slightly out-of-bound tokens to recover lost signals. While NSR, via stochastic sampling, can be interpreted as inducing an implicit gradient decay in expectation, our ablations reveal that its stochastic, boundary-local rescue mechanism is consistently more effective than deterministic gradient decay. Validated by extensive experiments across model sizes from 7B to 30B and both dense and MoE architectures, as a plug-and-play solution, NSR substantially improves training stability and delivers consistent gains over strong baselines such as DAPO and GSPO.

cs.LG↗

arXiv2026

MoleCode unlocks structural intelligence in large language models

Molecules are graphs, but large language models~(LLMs) are usually asked to reason about them through linear strings. The most popular molecular representation, SMILES, compresses atoms, bonds, branches and rings into a compact sequence in which topology is implicit, forcing LLMs to reconstruct molecular structure before performing the requested chemical operation. Here we introduce MoleCode, an LLM-native, training-free, graph-explicit molecular language in which all molecular components are represented as typed entities with persistent identifiers and explicit relations. MoleCode makes molecular topology directly readable, editable and auditable within the language context, allowing an LLM to operate on structure rather than recover it from syntax. Across molecular reasoning, editing, generation and analysis tasks, this representational shift improves frontier LLMs most strongly when structural access is limiting: unfamiliar molecules, topology-sensitive operations, larger structures and repetitive polymers. It also changes how inference is allocated, replacing long reasoning traces devoted to implicit structural reconstruction with shorter, more chemically directed reasoning over explicit atoms and bonds. In molecular optimization, this enables localized, property-aligned edits that preserve structural similarity to the starting compounds. The same Subgraph--Node--Edge grammar extends beyond small molecules to polymers, Markush structures, mechanism-style transformations and interleaved scientific documents, including research articles and patent disclosures in which chemical information is distributed across text and images. These results suggest that the interface between scientific objects and LLMs should not treat structure as something to be decoded from text. When the object of reasoning is relational, the structure itself should be part of the language.

q-bio.BM↗