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Linfeng Zhang

Publications and source records attributed to Linfeng Zhang.

At least 109 records · Page 6Linked to original sources

Experimental Powder X-ray Diffraction Crystal Structure Determination with RealPXRD-Solver

Determining crystal structures from experimental powder X-ray diffraction data remains challenging because peak overlap, preferred orientation, and impurity phases obscure atomic arrangements. We present RealPXRD-Solver, a generative model trained on 6,250,238 theoretical structures with experiment-mimicking augmentations and a universal encoder of d-spacing--intensity fingerprints, enabling both lattice-conditioned and lattice-free inference. RealPXRD-Solver reaches a 98.3% Top-20 match rate on a 10,000-structure theoretical benchmark and achieves Top-1/Top-20 accuracies of 77.9%/91.9% on CNRS and 78.8%/92.9% on RRUFF experimental datasets, and it solved 39 previously unreported Powder Diffraction File entries.

cond-mat.mtrl-sci↗

Uni-Parser Technical Report

This technical report introduces Uni-Parser, an industrial-grade document parsing engine tailored for scientific literature and patents, delivering high throughput, robust accuracy, and cost efficiency. Unlike pipeline-based document parsing methods, Uni-Parser employs a modular, loosely coupled multi-expert architecture that preserves fine-grained cross-modal alignments across text, equations, tables, figures, and chemical structures, while remaining easily extensible to emerging modalities. The system incorporates adaptive GPU load balancing, distributed inference, dynamic module orchestration, and configurable modes that support either holistic or modality-specific parsing. Optimized for large-scale cloud deployment, Uni-Parser achieves a processing rate of up to 20 PDF pages per second on 8 x NVIDIA RTX 4090D GPUs, enabling cost-efficient inference across billions of pages. This level of scalability facilitates a broad spectrum of downstream applications, ranging from literature retrieval and summarization to the extraction of chemical structures, reaction schemes, and bioactivity data, as well as the curation of large-scale corpora for training next-generation large language models and AI4Science models.

cs.CV↗

GlyphBanana: Advancing Precise Text Rendering Through Agentic Workflows

Despite recent advances in generative models driving significant progress in text rendering, accurately generating complex text and mathematical formulas remains a formidable challenge. This difficulty primarily stems from the limited instruction-following capabilities of current models when encountering out-of-distribution prompts. To address this, we introduce GlyphBanana, alongside a corresponding benchmark specifically designed for rendering complex characters and formulas. GlyphBanana employs an agentic workflow that integrates auxiliary tools to inject glyph templates into both the latent space and attention maps, facilitating the iterative refinement of generated images. Notably, our training-free approach can be seamlessly applied to various Text-to-Image (T2I) models, achieving superior precision compared to existing baselines. Extensive experiments demonstrate the effectiveness of our proposed workflow. Associated code is publicly available at https://github.com/yuriYanZeXuan/GlyphBanana.

cs.CV↗

Draft-Refine-Optimize: Self-Evolved Learning for Natural Language to MongoDB Query Generation

Natural Language to MongoDB Query Language (NL2MQL) is essential for democratizing access to modern document-centric databases. Unlike Text-to-SQL, NL2MQL faces unique challenges from MQL's procedural aggregation pipelines, deeply nested schemas, and ambiguous value grounding. Existing approaches use static prompting or one-shot refinement, which inadequately model these complex contexts and fail to systematically leverage execution feedback for persistent improvement. We propose EvoMQL, a self-evolved framework that unifies evidence-grounded context construction with execution-driven learning through iterative Draft-Refine-Optimize (DRO) cycles. Each cycle uses draft queries to trigger query-aware retrieval, dynamically building compact evidence contexts that resolve schema ambiguities and ground nested paths to concrete values. The model then undergoes online policy optimization with execution-based rewards and curriculum scheduling, with refined models feeding back into subsequent cycles for progressive evolution. Overall, EvoMQL achieves state-of-the-art execution accuracy of 76.6% on the EAI in-distribution benchmark and 83.1% on the TEND out-of-distribution benchmark, outperforming the strongest open-source baselines by up to 9.5% and 5.2%, respectively. With only 3B activated parameters, this closed-loop paradigm enables scalable, continuous improvement of NL2MQL systems in production.

cs.DB↗

DRUPI: Dataset Reduction Using Privileged Information

Dataset Condensation (DC) seeks to select or distill samples from large datasets into smaller subsets while preserving performance on target tasks. Existing methods primarily focus on pruning or synthesizing data in the same format as the original dataset, typically being the input data and corresponding labels. However, in DC settings, we find it is possible to synthesize more information beyond the data-label pair as an additional learning target to facilitate model training. In this paper, we introduce Dataset Condensation using Privileged Information (DCPI), which enriches DC by synthesizing privileged information alongside the reduced dataset. This privileged information can take the form of feature labels or attention labels, providing auxiliary supervision to improve model learning. Our findings reveal that effective feature labels must balance between being overly discriminative and excessively diverse, with a moderate level proves optimal for improving the reduced dataset's efficacy. Extensive experiments on ImageNet-1K, CIFAR-10/100 and Tiny ImageNet demonstrate that DCPI integrates seamlessly with existing dataset condensation methods, offering significant performance gains.

cs.CV↗

Your Agent May Misevolve: Emergent Risks in Self-evolving LLM Agents

Advances in Large Language Models (LLMs) have enabled a new class of self-evolving agents that autonomously improve through interaction with the environment, demonstrating strong capabilities. However, self-evolution also introduces novel risks overlooked by current safety research. In this work, we study the case where an agent's self-evolution deviates in unintended ways, leading to undesirable or even harmful outcomes. We refer to this as Misevolution. To provide a systematic investigation, we evaluate misevolution along four key evolutionary pathways: model, memory, tool, and workflow. Our empirical findings reveal that misevolution is a widespread risk, affecting agents built even on top-tier LLMs (e.g., Gemini-2.5-Pro). Different emergent risks are observed in the self-evolutionary process, such as the degradation of safety alignment after memory accumulation, or the unintended introduction of vulnerabilities in tool creation and reuse. To our knowledge, this is the first study to systematically conceptualize misevolution and provide empirical evidence of its occurrence, highlighting an urgent need for new safety paradigms for self-evolving agents. Finally, we discuss potential mitigation strategies to inspire further research on building safer and more trustworthy self-evolving agents. Our code and data are available at https://github.com/ShaoShuai0605/Misevolution . Warning: this paper includes examples that may be offensive or harmful in nature.

cs.AI↗

StruVis: Enhancing Reasoning-based Text-to-Image Generation via Thinking with Structured Vision

Reasoning-based text-to-image (T2I) generation requires models to interpret complex prompts accurately. Existing reasoning frameworks can be broadly categorized into two types: (1) Text-Only Reasoning, which is computationally efficient but lacks access to visual context, often resulting in the omission of critical spatial and visual elements; and (2) Text-Image Interleaved Reasoning, which leverages a T2I generator to provide visual references during the reasoning process. While this approach enhances visual grounding, it incurs substantial computational costs and constrains the reasoning capacity of MLLMs to the representational limitations of the generator. To this end, we propose StruVis, a novel framework that enhances T2I generation through Thinking with Structured Vision. Instead of relying on intermediate image generation, StruVis employs text-based structured visual representations as intermediate reasoning states, thereby enabling the MLLM to effectively "perceive" visual structure within a purely text-based reasoning process. Powered by this, the reasoning potential for T2I generation of the MLLM is unlocked through structured-vision-guided reasoning. Additionally, as a generator-agnostic reasoning framework, our proposed StruVis can be seamlessly integrated with diverse T2I generators and efficiently enhance their performance in reasoning-based T2I generation. Extensive experiments demonstrate that StruVis achieves significant performance improvements on reasoning-based T2I benchmarks, e.g., a 4.61% gain on T2I-ReasonBench and a 4% gain on WISE.

cs.CV↗

Prune2Drive: A Plug-and-Play Framework for Accelerating Vision-Language Models in Autonomous Driving

Vision-Language Models (VLMs) have emerged as a promising paradigm in autonomous driving (AD), providing a unified framework for perception and decision-making. However, their real-world deployment is hindered by significant computational overhead when processing high-resolution, multi-view images. This complexity stems from the massive number of visual tokens, which increases inference latency and memory consumption due to the quadratic complexity of self-attention. To address these challenges, we propose Prune2Drive, a plug-and-play visual token pruning framework for multi-view VLMs in AD. Prune2Drive introduces two core innovations: (i) a diversity-aware token selection mechanism that prioritizes semantic and spatial coverage across views, and (ii) a view-adaptive pruning controller that automatically learns optimal pruning ratios based on camera importance to downstream tasks. Unlike prior methods, Prune2Drive requires no model retraining or access to attention maps, ensuring compatibility with modern efficient attention implementations. Extensive experiments on the DriveLM and DriveLMM-o1 benchmarks demonstrate that Prune2Drive achieves significant speedups and memory savings with minimal performance impact. When retaining only 10% of visual tokens, our method achieves a 6.40x speedup in the prefilling phase and consumes only 13.4% of the original FLOPs, with a mere 3% average performance drop on the DriveLM benchmark. Code is available at: https://github.com/MinhaoXiong/Prune2Drive.git

cs.CV↗

Towards Principled Dataset Distillation: A Spectral Distribution Perspective

Dataset distillation (DD) aims to compress large-scale datasets into compact synthetic counterparts for efficient model training. However, existing DD methods exhibit substantial performance degradation on long-tailed datasets. We identify two fundamental challenges: heuristic design choices for distribution discrepancy measure and uniform treatment of imbalanced classes. To address these limitations, we propose Class-Aware Spectral Distribution Matching (CSDM), which reformulates distribution alignment via the spectrum of a well-behaved kernel function. This technique maps the original samples into frequency space, resulting in the Spectral Distribution Distance (SDD). To mitigate class imbalance, we exploit the unified form of SDD to perform amplitude-phase decomposition, which adaptively prioritizes the realism in tail classes. On CIFAR-10-LT, with 10 images per class, CSDM achieves a 14.0% improvement over state-of-the-art DD methods, with only a 5.7% performance drop when the number of images in tail classes decreases from 500 to 25, demonstrating strong stability on long-tailed data.

cs.CV↗

TraceSIR: A Multi-Agent Framework for Structured Analysis and Reporting of Agentic Execution Traces

Agentic systems augment large language models with external tools and iterative decision making, enabling complex tasks such as deep research, function calling, and coding. However, their long and intricate execution traces make failure diagnosis and root cause analysis extremely challenging. Manual inspection does not scale, while directly applying LLMs to raw traces is hindered by input length limits and unreliable reasoning. Focusing solely on final task outcomes further discards critical behavioral information required for accurate issue localization. To address these issues, we propose TraceSIR, a multi-agent framework for structured analysis and reporting of agentic execution traces. TraceSIR coordinates three specialized agents: (1) StructureAgent, which introduces a novel abstraction format, TraceFormat, to compress execution traces while preserving essential behavioral information; (2) InsightAgent, which performs fine-grained diagnosis including issue localization, root cause analysis, and optimization suggestions; (3) ReportAgent, which aggregates insights across task instances and generates comprehensive analysis reports. To evaluate TraceSIR, we construct TraceBench, covering three real-world agentic scenarios, and introduce ReportEval, an evaluation protocol for assessing the quality and usability of analysis reports aligned with industry needs. Experiments show that TraceSIR consistently produces coherent, informative, and actionable reports, significantly outperforming existing approaches across all evaluation dimensions. Our project and video are publicly available at https://github.com/SHU-XUN/TraceSIR.

cs.AI↗

Towards Seamless Interaction: Causal Turn-Level Modeling of Interactive 3D Conversational Head Dynamics

Human conversation involves continuous exchanges of speech and nonverbal cues such as head nods, gaze shifts, and facial expressions that convey attention and emotion. Modeling these bidirectional dynamics in 3D is essential for building expressive avatars and interactive robots. However, existing frameworks often treat talking and listening as independent processes or rely on non-causal full-sequence modeling, hindering temporal coherence across turns. We present TIMAR (Turn-level Interleaved Masked AutoRegression), a causal framework for 3D conversational head generation that models dialogue as interleaved audio-visual contexts. It fuses multimodal information within each turn and applies turn-level causal attention to accumulate conversational history, while a lightweight diffusion head predicts continuous 3D head dynamics that captures both coordination and expressive variability. Experiments on the DualTalk benchmark show that TIMAR reduces Fréchet Distance and MSE by 15-30% on the test set, and achieves similar gains on out-of-distribution data. The source code has been released at https://github.com/CoderChen01/towards-seamless-interaction.

cs.CV↗

MolReasoner: Toward Effective and Interpretable Reasoning for Molecular LLMs

Large Language Models (LLMs) have shown impressive performance across various domains, but their ability to perform molecular reasoning remains underexplored. Existing methods mostly rely on general-purpose prompting, which lacks domain-specific molecular semantics, or fine-tuning, which faces challenges in interpretability and reasoning depth, often leading to structural and textual hallucinations. To address these issues, we introduce MolReasoner, a two-stage framework that transitions LLMs from memorization to high-fidelity chemical reasoning. In the Mol-SFT stage, knowledge-enhanced Chain-of-Thought (CoT) data provides a strong foundation, while the Mol-RL stage refines reasoning using a novel, task-adaptive reward system to mitigate hallucinations. Extensive evaluations demonstrate that MolReasoner significantly outperforms a wide range of strong baselines in both molecule generation and captioning tasks. Further analyses highlight the framework's synergistic design and its ability to produce more interpretable outputs. Our work presents a principled and effective new approach for advancing high-fidelity molecular reasoning.

cs.LG↗

Follow-Your-Shape: Shape-Aware Image Editing via Trajectory-Guided Region Control

While recent flow-based image editing models demonstrate general-purpose capabilities across diverse tasks, they often struggle to specialize in challenging scenarios -- particularly those involving large-scale shape transformations. When performing such structural edits, these methods either fail to achieve the intended shape change or inadvertently alter non-target regions, resulting in degraded background quality. We propose Follow-Your-Shape, a training-free and mask-free framework that supports precise and controllable editing of object shapes while strictly preserving non-target content. Motivated by the divergence between inversion and editing trajectories, we compute a Trajectory Divergence Map (TDM) by comparing token-wise velocity differences between the inversion and denoising paths. The TDM enables precise localization of editable regions and guides a Scheduled KV Injection mechanism that ensures stable and faithful editing. To facilitate a rigorous evaluation, we introduce ReShapeBench, a new benchmark comprising 120 new images and enriched prompt pairs specifically curated for shape-aware editing. Experiments demonstrate that our method achieves superior editability and visual fidelity, particularly in tasks requiring large-scale shape replacement.

cs.CV↗

OmniScience: A Large-scale Multi-modal Dataset for Scientific Image Understanding

Multimodal Large Language Models demonstrate strong performance on natural image understanding, yet exhibit limited capability in interpreting scientific images, including but not limited to schematic diagrams, experimental characterizations, and analytical charts. This limitation is particularly pronounced in open-source MLLMs. The gap largely stems from existing datasets with limited domain coverage, coarse structural annotations, and weak semantic grounding. We introduce OmniScience, a large-scale, high-fidelity multi-modal dataset comprising 1.5 million figure-caption-context triplets, spanning more than 10 major scientific disciplines. To obtain image caption data with higher information density and accuracy for multi-modal large-model training, we develop a dynamic model-routing re-captioning pipeline that leverages state-of-the-art multi-modal large language models to generate dense, self-contained descriptions by jointly synthesizing visual features, original figure captions, and corresponding in-text references authored by human scientists. The pipeline is further reinforced with rigorous quality filtering and alignment with human expert judgments, ensuring both factual accuracy and semantic completeness, and boosts the image-text multi-modal similarity score from 0.769 to 0.956. We further propose a caption QA protocol as a proxy task for evaluating visual understanding. Under this setting, Qwen2.5-VL-3B model finetuned on OmniScience show substantial gains over baselines, achieving a gain of 0.378 on MM-MT-Bench and a gain of 0.140 on MMMU.

cs.CV↗

Credit Where It is Due: Cross-Modality Connectivity Drives Precise Reinforcement Learning for MLLM Reasoning

Reinforcement Learning with Verifiable Rewards (RLVR) has significantly advanced the reasoning capabilities of Multimodal Large Language Models (MLLMs), yet how visual evidence is integrated during reasoning remains poorly understood. We explore multimodal RLVR through the lens of cross-modal attention connectivity and find that only a small fraction of tokens (approximately 15%) exhibit strong visual-textual coupling. These high-connectivity tokens act as anchors that ground reasoning in the image, while the majority follow linguistic patterns. During RLVR training, credit assignment naturally concentrates on these anchors, sharpening their visual grounding over time. Building on this insight, we propose Anchor-Token Reinforcement Learning (AT-RL), a lightweight framework that selectively reinforces high-connectivity tokens via graph-based clustering of attention topology. Evaluated across the series (3B-32B), AT-RL introduces only 1.2% overhead yet enables the 32B model to surpass the 72B-Instruct baseline on MathVista (80.2), with consistent gains observed across STEM, video and general tasks. Conversely, training solely on low-connectivity tokens causes severe degradation, confirming that effective multimodal RL hinges on precise credit assignment to visual anchors. Our work reveals that reasoning quality is governed not by token quantity but by the fidelity of cross-modal anchoring.

cs.AI↗

Accelerating Streaming Video Large Language Models via Hierarchical Token Compression

Streaming Video Large Language Models (VideoLLMs) have demonstrated impressive performance across various video understanding tasks, but they face significant challenges in real-time deployment due to the high computational cost of processing dense visual tokens from continuous video streams. In streaming video scenarios, the primary bottleneck lies in the Vision Transformer (ViT) encoding stage, where redundant processing of temporally similar frames leads to inefficiency. Additionally, inflated token sequences during LLM pre-filling further exacerbate latency and memory overhead. To address these challenges, we propose \textbf{S}treaming \textbf{T}oken \textbf{C}ompression (\textbf{STC}), a plug-and-play hierarchical framework that seamlessly integrates into existing streaming VideoLLMs, optimizing both ViT encoding and LLM pre-filling stages to accelerate processing. STC introduces two token-level accelerators: \textbf{STC-Cacher}, which reduces ViT encoding overhead by caching and reusing features from temporally similar frames, and \textbf{STC-Pruner}, which compresses the visual token sequence before it enters the LLM, preserving only the most salient tokens based on both spatial and temporal relevance. Extensive experiments on four baseline streaming VideoLLMs across five benchmarks demonstrate that STC outperforms other compression methods. Notably, STC retains up to \textbf{99\%} of accuracy on the ReKV framework while reducing ViT encoding latency and LLM pre-filling latency by \textbf{24.5\%} and \textbf{45.3\%}.

cs.CV↗

The Devil behind the mask: An emergent safety vulnerability of Diffusion LLMs

Diffusion-based large language models (dLLMs) have recently emerged as a powerful alternative to autoregressive LLMs, offering faster inference and greater interactivity via parallel decoding and bidirectional modeling. However, despite strong performance in code generation and text infilling, we identify a fundamental safety concern: existing alignment mechanisms fail to safeguard dLLMs against context-aware, masked-input adversarial prompts, exposing novel vulnerabilities. To this end, we present DIJA, the first systematic study and jailbreak attack framework that exploits unique safety weaknesses of dLLMs. Specifically, our proposed DIJA constructs adversarial interleaved mask-text prompts that exploit the text generation mechanisms of dLLMs, i.e., bidirectional modeling and parallel decoding. Bidirectional modeling drives the model to produce contextually consistent outputs for masked spans, even when harmful, while parallel decoding limits model dynamic filtering and rejection sampling of unsafe content. This causes standard alignment mechanisms to fail, enabling harmful completions in alignment-tuned dLLMs, even when harmful behaviors or unsafe instructions are directly exposed in the prompt. Through comprehensive experiments, we demonstrate that DIJA significantly outperforms existing jailbreak methods, exposing a previously overlooked threat surface in dLLM architectures. Notably, our method achieves up to 100% keyword-based ASR on Dream-Instruct, surpassing the strongest prior baseline, ReNeLLM, by up to 78.5% in evaluator-based ASR on JailbreakBench and by 37.7 points in StrongREJECT score, while requiring no rewriting or hiding of harmful content in the jailbreak prompt. Our findings underscore the urgent need for rethinking safety alignment in this emerging class of language models. Code is available at https://github.com/ZichenWen1/DIJA.

cs.CL↗

Hunyuan-GameCraft-2: Instruction-following Interactive Game World Model

Recent advances in generative world models have enabled remarkable progress in creating open-ended game environments, evolving from static scene synthesis toward dynamic, interactive simulation. However, current approaches remain limited by rigid action schemas and high annotation costs, restricting their ability to model diverse in-game interactions and player-driven dynamics. To address these challenges, we introduce Hunyuan-GameCraft-2, a new paradigm of instruction-driven interaction for generative game world modeling. Instead of relying on fixed keyboard inputs, our model allows users to control game video contents through natural language prompts, keyboard, or mouse signals, enabling flexible and semantically rich interaction within generated worlds. We formally defined the concept of interactive video data and developed an automated process to transform large-scale, unstructured text-video pairs into causally aligned interactive datasets. Built upon a 14B image-to-video Mixture-of-Experts(MoE) foundation model, our model incorporates a text-driven interaction injection mechanism for fine-grained control over camera motion, character behavior, and environment dynamics. We introduce an interaction-focused benchmark, InterBench, to evaluate interaction performance comprehensively. Extensive experiments demonstrate that our model generates temporally coherent and causally grounded interactive game videos that faithfully respond to diverse and free-form user instructions such as "open the door", "draw a torch", or "trigger an explosion".

cs.CV↗