Bin Feng

Xiaohu Huang, Hao Zhou, Jian Wang et al.

In the field of skeleton-based action recognition, current top-performing graph convolutional networks (GCNs) exploit intra-sequence context to construct adaptive graphs for feature aggregation. However, we argue that such context is still \textit{local} since the rich cross-sequence relations have not been explicitly investigated. In this paper, we propose a graph contrastive learning framework for skeleton-based action recognition (\textit{SkeletonGCL}) to explore the \textit{global} context across all sequences. In specific, SkeletonGCL associates graph learning across sequences by enforcing graphs to be class-discriminative, \emph{i.e.,} intra-class compact and inter-class dispersed, which improves the GCN capacity to distinguish various action patterns. Besides, two memory banks are designed to enrich cross-sequence context from two complementary levels, \emph{i.e.,} instance and semantic levels, enabling graph contrastive learning in multiple context scales. Consequently, SkeletonGCL establishes a new training paradigm, and it can be seamlessly incorporated into current GCNs. Without loss of generality, we combine SkeletonGCL with three GCNs (2S-ACGN, CTR-GCN, and InfoGCN), and achieve consistent improvements on NTU60, NTU120, and NW-UCLA benchmarks. The source code will be available at \url{https://github.com/OliverHxh/SkeletonGCL}.

Reid A. Coyle, Shyam Chand Pal, Peter Walther et al.

Metal-organic frameworks (MOFs) are excellent candidates for water harvesting due to their tunable pore environments, which can be precisely engineered to capture and release water in arid conditions. Integrating artificial intelligence (AI) into MOF discovery can further accelerate the design of high-performance sorbents by identifying structural features that enhance atmospheric water harvesting (AWH), stability, and cycling efficiency. In this Perspective, we examine key MOF design principles, including cooperative adsorption, operational relative humidity (RH), uptake capacity, hysteresis, and scalability. We highlight recent design advancements such as multivariate strategies and long-arm linker extension, and examine how these principles tune pore capacity and hydrophilicity, while preserving stability and crystallinity. Furthermore, we discuss how AI, large language models (LLMs), and data mining can accelerate the discovery process through predictive synthesis, inverse design, and elucidating synthesis-structure-property relationships for the next generation of MOF water harvesters.

Xiaohu Huang, Xinggang Wang, Zhidianqiu Jin et al.

Graph convolutional networks have been widely applied in skeleton-based gait recognition. A key challenge in this task is to distinguish the individual walking styles of different subjects across various views. Existing state-of-the-art methods employ uniform convolutions to extract features from diverse sequences and ignore the effects of viewpoint changes. To overcome these limitations, we propose a condition-adaptive graph (CAG) convolution network that can dynamically adapt to the specific attributes of each skeleton sequence and the corresponding view angle. In contrast to using fixed weights for all joints and sequences, we introduce a joint-specific filter learning (JSFL) module in the CAG method, which produces sequence-adaptive filters at the joint level. The adaptive filters capture fine-grained patterns that are unique to each joint, enabling the extraction of diverse spatial-temporal information about body parts. Additionally, we design a view-adaptive topology learning (VATL) module that generates adaptive graph topologies. These graph topologies are used to correlate the joints adaptively according to the specific view conditions. Thus, CAG can simultaneously adjust to various walking styles and viewpoints. Experiments on the two most widely used datasets (i.e., CASIA-B and OU-MVLP) show that CAG surpasses all previous skeleton-based methods. Moreover, the recognition performance can be enhanced by simply combining CAG with appearance-based methods, demonstrating the ability of CAG to provide useful complementary information.The source code will be available at https://github.com/OliverHxh/CAG.

Duowang Zhu, Xiaohu Huang, Xinggang Wang et al.

Although gait recognition has drawn increasing research attention recently, since the silhouette differences are quite subtle in spatial domain, temporal feature representation is crucial for gait recognition. Inspired by the observation that humans can distinguish gaits of different subjects by adaptively focusing on clips of varying time scales, we propose a multi-scale context-aware network with transformer (MCAT) for gait recognition. MCAT generates temporal features across three scales, and adaptively aggregates them using contextual information from both local and global perspectives. Specifically, MCAT contains an adaptive temporal aggregation (ATA) module that performs local relation modeling followed by global relation modeling to fuse the multi-scale features. Besides, in order to remedy the spatial feature corruption resulting from temporal operations, MCAT incorporates a salient spatial feature learning (SSFL) module to select groups of discriminative spatial features. Extensive experiments conducted on three datasets demonstrate the state-of-the-art performance. Concretely, we achieve rank-1 accuracies of 98.7%, 96.2% and 88.7% under normal walking, bag-carrying and coat-wearing conditions on CASIA-B, 97.5% on OU-MVLP and 50.6% on GREW. The source code will be available at https://github.com/zhuduowang/MCAT.git.

Bin Feng, Tenglong Ao, Zequn Liu et al.

How to automatically synthesize natural-looking dance movements based on a piece of music is an incrementally popular yet challenging task. Most existing data-driven approaches require hard-to-get paired training data and fail to generate long sequences of motion due to error accumulation of autoregressive structure. We present a novel 3D dance synthesis system that only needs unpaired data for training and could generate realistic long-term motions at the same time. For the unpaired data training, we explore the disentanglement of beat and style, and propose a Transformer-based model free of reliance upon paired data. For the synthesis of long-term motions, we devise a new long-history attention strategy. It first queries the long-history embedding through an attention computation and then explicitly fuses this embedding into the generation pipeline via multimodal adaptation gate (MAG). Objective and subjective evaluations show that our results are comparable to strong baseline methods, despite not requiring paired training data, and are robust when inferring long-term music. To our best knowledge, we are the first to achieve unpaired data training - an ability that enables to alleviate data limitations effectively. Our code is released on https://github.com/BFeng14/RobustDancer

Shuai Zhang, Guanjun Wu, Zhoufeng Xie et al.

Reconstructing objects and extracting high-quality surfaces play a vital role in the real world. Current 4D representations show the ability to render high-quality novel views for dynamic objects, but cannot reconstruct high-quality meshes due to their implicit or geometrically inaccurate representations. In this paper, we propose a novel representation that can reconstruct accurate meshes from sparse image input, named Dynamic 2D Gaussians (D-2DGS). We adopt 2D Gaussians for basic geometry representation and use sparse-controlled points to capture the 2D Gaussian's deformation. By extracting the object mask from the rendered high-quality image and masking the rendered depth map, we remove floaters that are prone to occur during reconstruction and can extract high-quality dynamic mesh sequences of dynamic objects. Experiments demonstrate that our D-2DGS is outstanding in reconstructing detailed and smooth high-quality meshes from sparse inputs. The code is available at https://github.com/hustvl/Dynamic-2DGS.

Yiyang Gu, Junwei Yang, Junyu Luo et al.

Large language models (LLMs) are increasingly applied to scientific research, yet existing evaluations often fail to reflect the fine-grained capabilities required in practice. Most benchmarks are manually curated or domain-generic, limiting scalability and alignment with real scientific use cases. In this paper, we propose a new framework named SciCustom to address the problem. It enables the custom construction of benchmarks from large-scale scientific data to evaluate application-specific scientific capabilities in LLMs. SciCustom first organizes scientific knowledge into ontology-grounded knowledge units with controlled granularity and trains a tagger to map large-scale data instances into this knowledge space. Given a custom requirement, relevant knowledge units are identified via voting-based multi-model consensus. These units enable relevance-aware benchmark retrieval via binary search, followed by proxy subset selection and data-grounded benchmark generation for efficient evaluation. Experiments in chemistry and healthcare demonstrate that SciCustom reveals fine-grained differences in LLM scientific capabilities that standard benchmarks overlook, while requiring neither expert annotation nor synthetic question generation. This work provides a scalable and application-aware foundation for benchmarking scientific capabilities in LLMs. The source code is available at https://github.com/yjwtheonly/SciCustom.

Yiyang Cao, Yunze Deng, Ziyu Lin et al.

Text-to-motion generation, a rapidly evolving field in computer vision, aims to produce realistic and text-aligned motion sequences. Current methods primarily focus on spatial-temporal modeling or independent frequency domain analysis, lacking a unified framework for joint optimization across spatial, temporal, and frequency domains. This limitation hinders the model's ability to leverage information from all domains simultaneously, leading to suboptimal generation quality. Additionally, in motion generation frameworks, motion-irrelevant cues caused by noise are often entangled with features that contribute positively to generation, thereby leading to motion distortion. To address these issues, we propose Tri-Domain Causal Text-to-Motion Generation (TriC-Motion), a novel diffusion-based framework integrating spatial-temporal-frequency-domain modeling with causal intervention. TriC-Motion includes three core modeling modules for domain-specific modeling, namely Temporal Motion Encoding, Spatial Topology Modeling, and Hybrid Frequency Analysis. After comprehensive modeling, a Score-guided Tri-domain Fusion module integrates valuable information from the triple domains, simultaneously ensuring temporal consistency, spatial topology, motion trends, and dynamics. Moreover, the Causality-based Counterfactual Motion Disentangler is meticulously designed to expose motion-irrelevant cues to eliminate noise, disentangling the real modeling contributions of each domain for superior generation. Extensive experimental results validate that TriC-Motion achieves superior performance compared to state-of-the-art methods, attaining an outstanding R@1 of 0.612 on the HumanML3D dataset. These results demonstrate its capability to generate high-fidelity, coherent, diverse, and text-aligned motion sequences. Code is available at: https://caoyiyang1105.github.io/TriC-Motion/.

Haijun Xiong, Bin Feng, Xinggang Wang et al.

Gait recognition is a biometric technology that distinguishes individuals by their walking patterns. However, previous methods face challenges when accurately extracting identity features because they often become entangled with non-identity clues. To address this challenge, we propose CLTD, a causality-inspired discriminative feature learning module designed to effectively eliminate the influence of confounders in triple domains, \ie, spatial, temporal, and spectral. Specifically, we utilize the Cross Pixel-wise Attention Generator (CPAG) to generate attention distributions for factual and counterfactual features in spatial and temporal domains. Then, we introduce the Fourier Projection Head (FPH) to project spatial features into the spectral space, which preserves essential information while reducing computational costs. Additionally, we employ an optimization method with contrastive learning to enforce semantic consistency constraints across sequences from the same subject. Our approach has demonstrated significant performance improvements on challenging datasets, proving its effectiveness. Moreover, it can be seamlessly integrated into existing gait recognition methods.

Zijing Liu, Bin Feng, He Cao et al.

Protein structure tokenization converts 3D structures into discrete or vectorized representations, enabling the integration of structural and sequence data. Despite many recent works on structure tokenization, the properties of the underlying discrete representations are not well understood. In this work, we first demonstrate that the successful utilization of structural tokens in a language model for structure prediction depends on using rich, pre-trained sequence embeddings to bridge the semantic gap between the sequence and structural "language". The analysis of the structural vocabulary itself then reveals significant semantic redundancy, where multiple distinct tokens correspond to nearly identical local geometries, acting as "structural synonyms". This redundancy, rather than being a flaw, can be exploited with a simple "synonym swap" strategy to generate diverse conformational ensembles by perturbing a predicted structure with its structural synonyms. This computationally lightweight method accurately recapitulates protein flexibility, performing competitively with state-of-the-art models. Our study provides fundamental insights into the nature of discrete protein structure representations and introduces a powerful, near-instantaneous method for modeling protein dynamics. Source code is available in https://github.com/IDEA-XL/TokenMD.

Peter Walther, Hongrui Sheng, Xinxin Liu et al.

Scalable synthesis remains the gate between MOF discovery and industrial deployment, as scale-up know-how is fragmented across disparate reports. We introduce ESU-MOF, a literature-mined dataset and a positive-unlabeled learning strategy that fine-tunes large language models to predict scalability potential with 91.4% accuracy, enabling rapid data-driven triage for industrial MOF discovery.

Xinwu Ye, He Cao, Hao Li et al.

Biomolecular generators are often adapted with reward feedback to improve task-specific utility, but pushing utility alone can concentrate generation on a narrow family of candidates. Maintaining diversity is difficult because sample diversity is a set-level property. We introduce Supergroup Relative Policy Optimization (SGRPO), a flexible GRPO-style framework that directly constructs rewards from set-level diversity. For each condition, SGRPO samples a supergroup of candidate sets, compares their diversity under the same condition, and redistributes the group diversity reward to individual rollouts through leave-one-out diversity contributions before combining it with rollout-level utility. This design decouples SGRPO from a particular generator, utility reward, or diversity metric, and allows instantiation with different GRPO-style approaches. We evaluate SGRPO on de novo small-molecule design, pocket-based small-molecule design, and de novo protein design, instantiating it with both GRPO and Coupled-GRPO across autoregressive and discrete diffusion generators. Across decoding sweeps, SGRPO expands the utility-diversity Pareto frontier and achieves the best frontier-level metrics relative to pretrained generators, GRPO, and memory-assisted GRPO when applicable. Our analyses further show that direct set-level diversity rewards remain effective with small groups and help preserve broader generation-distribution coverage during post-training. The code is available at https://github.com/IDEA-XL/SGRPO.

Qiang Xu, Shengyuan Bai, Yu Wang et al.

Multimodal Large Language Models (MLLMs) excel at recognizing individual visual elements and reasoning over simple linear diagrams. However, when faced with complex topological structures involving branching paths, converging flows, and cyclic dependencies, their reasoning capabilities degrade sharply, even on tasks as basic as counting endpoints. Existing benchmarks fail to probe this gap, focusing on semantic comprehension rather than structural reasoning. We introduce ReactBench, a benchmark that reveals fundamental limitations in structural reasoning through chemical reaction diagrams. These real-world scientific diagrams offer an ideal testbed because they naturally span diverse structures from linear chains to cyclic graphs, while requiring both precise local recognition and coherent global reasoning. Our benchmark comprises 1,618 expert-annotated QA pairs across four hierarchical task dimensions. Extensive evaluation across 17 MLLMs reveals a significant performance gap exceeding 30% between anchor-based tasks and holistic structural reasoning tasks. Controlled ablations confirm this bottleneck lies in reasoning, not perception. These findings expose a fundamental deficit in structural understanding and establish directions for advancing visual reasoning.

Yongkang Li, Tianheng Cheng, Bin Feng et al.

Recent open-vocabulary segmentation methods adopt mask generators to predict segmentation masks and leverage pre-trained vision-language models, e.g., CLIP, to classify these masks via mask pooling. Although these approaches show promising results, it is counterintuitive that accurate masks often fail to yield accurate classification results through pooling CLIP image embeddings within the mask regions. In this paper, we reveal the performance limitations of mask pooling and introduce Mask-Adapter, a simple yet effective method to address these challenges in open-vocabulary segmentation. Compared to directly using proposal masks, our proposed Mask-Adapter extracts semantic activation maps from proposal masks, providing richer contextual information and ensuring alignment between masks and CLIP. Additionally, we propose a mask consistency loss that encourages proposal masks with similar IoUs to obtain similar CLIP embeddings to enhance models' robustness to varying predicted masks. Mask-Adapter integrates seamlessly into open-vocabulary segmentation methods based on mask pooling in a plug-and-play manner, delivering more accurate classification results. Extensive experiments across several zero-shot benchmarks demonstrate significant performance gains for the proposed Mask-Adapter on several well-established methods. Notably, Mask-Adapter also extends effectively to SAM and achieves impressive results on several open-vocabulary segmentation datasets. Code and models are available at https://github.com/hustvl/MaskAdapter.

Haijun Xiong, Bin Feng, Bang Wang et al.

Gait recognition offers a non-intrusive biometric solution by identifying individuals through their walking patterns. Although discriminative models have achieved notable success in this domain, the full potential of generative models remains largely underexplored. In this paper, we introduce \textbf{CoD$^2$}, a novel framework that combines the data distribution modeling capabilities of diffusion models with the semantic representation learning strengths of discriminative models to extract robust gait features. We propose a Multi-level Conditional Control strategy that incorporates both high-level identity-aware semantic conditions and low-level visual details. Specifically, the high-level condition, extracted by the discriminative extractor, guides the generation of identity-consistent gait sequences, whereas low-level visual details, such as appearance and motion, are preserved to enhance consistency. Furthermore, the generated sequences facilitate the discriminative extractor's learning, enabling it to capture more comprehensive high-level semantic features. Extensive experiments on four datasets (SUSTech1K, CCPG, GREW, and Gait3D) demonstrate that CoD$^2$ achieves state-of-the-art performance and can be seamlessly integrated with existing discriminative methods, yielding consistent improvements.

Qinxin Wu, Fucheng Niu, Hengchuan Zhu et al.

Generative AI has advanced rapidly in medical report generation; however, its application to oral and maxillofacial CBCT reporting remains limited, largely because of the scarcity of high-quality paired CBCT-report data and the intrinsic complexity of volumetric CBCT interpretation. To address this, we introduce CBCTRepD, a bilingual oral and maxillofacial CBCT report-generation system designed for integration into routine radiologist-AI co-authoring workflows. We curated a large-scale, high-quality paired CBCT-report dataset comprising approximately 7,408 studies, covering 55 oral disease entities across diverse acquisition settings, and used it to develop the system. We further established a clinically grounded, multi-level evaluation framework that assesses both direct AI-generated drafts and radiologist-edited collaboration reports using automatic metrics together with radiologist- and clinician-centered evaluation. Using this framework, we show that CBCTRepD achieves superior report-generation performance and produces drafts with writing quality and standardization comparable to those of intermediate radiologists. More importantly, in radiologist-AI collaboration, CBCTRepD provides consistent and clinically meaningful benefits across experience levels: it helps novice radiologists improve toward intermediate-level reporting, enables intermediate radiologists to approach senior-level performance, and even assists senior radiologists by reducing omission-related errors, including clinically important missed lesions. By improving report structure, reducing omissions, and promoting attention to co-existing lesions across anatomical regions, CBCTRepD shows strong and reliable potential as a practical assistant for real-world CBCT reporting across multi-level care settings.

Songtao Jiang, Yuan Wang, Sibo Song et al.

Real-world clinical decision-making requires integrating heterogeneous data, including medical text, 2D images, 3D volumes, and videos, while existing AI systems fail to unify all these signals, limiting their utility. In this paper, we introduce Hulu-Med, a transparent, generalist medical Vision-Language Model (VLM) designed to unify language-only, 2D/3D vision-language, and video understanding within a single architecture. Hulu-Med is trained on a curated corpus of 16.7 million samples, comprising exclusively public or synthetic data, spanning 12 major anatomical systems and 14 medical imaging modalities. Hulu-Med employs a medical-aware token-reduction strategy that prunes redundant visual tokens, achieving up to a 55% reduction for 3D and video inputs, improving cross-modal efficiency, and enabling training at 7B-32B parameter scales in approximately 4,000-40,000 GPU hours. Across 30 public in-domain and out-of-domain medical benchmarks-covering text reasoning, visual question answering, report generation, multilingual dialogue, video understanding, and rare disease diagnosis-Hulu-Med surpasses existing open-source models on 27 of 30 benchmarks and outperforms proprietary systems such as GPT-4o on 16 benchmarks. Despite being a VLM, Hulu-Med outperforms GPT-4o and matches GPT-o1 on the text-only HealthBench. For the first time in the community, we provide a fully transparent, reproducible and cost-effective pipeline for holistic medical vision-language understanding by releasing our end-to-end data curation, training procedures, and model parameters. Code and models are available at https://github.com/ZJUI-AI4H/Hulu-Med.

Zijie Meng, Jin Hao, Xiwei Dai et al.

Diagnosing and managing oral diseases necessitate advanced visual interpretation across diverse imaging modalities and integrated information synthesis. While current AI models excel at isolated tasks, they often fall short in addressing the complex, multimodal requirements of comprehensive clinical dental practice. Here we introduce DentVLM, a multimodal vision-language model engineered for expert-level oral disease diagnosis. DentVLM was developed using a comprehensive, large-scale, bilingual dataset of 110,447 images and 2.46 million visual question-answering (VQA) pairs. The model is capable of interpreting seven 2D oral imaging modalities across 36 diagnostic tasks, significantly outperforming leading proprietary and open-source models by 19.6% higher accuracy for oral diseases and 27.9% for malocclusions. In a clinical study involving 25 dentists, evaluating 1,946 patients and encompassing 3,105 QA pairs, DentVLM surpassed the diagnostic performance of 13 junior dentists on 21 of 36 tasks and exceeded that of 12 senior dentists on 12 of 36 tasks. When integrated into a collaborative workflow, DentVLM elevated junior dentists' performance to senior levels and reduced diagnostic time for all practitioners by 15-22%. Furthermore, DentVLM exhibited promising performance across three practical utility scenarios, including home-based dental health management, hospital-based intelligent diagnosis and multi-agent collaborative interaction. These findings establish DentVLM as a robust clinical decision support tool, poised to enhance primary dental care, mitigate provider-patient imbalances, and democratize access to specialized medical expertise within the field of dentistry.

Yang Yu, Yunze Deng, Yige Zhang et al.

Existing Image-based virtual try-on (VTON) methods primarily focus on single-layer or multi-garment VTON, neglecting multi-layer VTON (ML-VTON), which involves dressing multiple layers of garments onto the human body with realistic deformation and layering to generate visually plausible outcomes. The main challenge lies in accurately modeling occlusion relationships between inner and outer garments to reduce interference from redundant inner garment features. To address this, we propose GO-MLVTON, the first multi-layer VTON method, introducing the Garment Occlusion Learning module to learn occlusion relationships and the StableDiffusion-based Garment Morphing & Fitting module to deform and fit garments onto the human body, producing high-quality multi-layer try-on results. Additionally, we present the MLG dataset for this task and propose a new metric named Layered Appearance Coherence Difference (LACD) for evaluation. Extensive experiments demonstrate the state-of-the-art performance of GO-MLVTON. Project page: https://upyuyang.github.io/go-mlvton/.

He Cao, Siyu Liu, Fan Zhang et al.

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use governance and poor long-horizon reliability. In dependency-heavy pharmaceutical pipelines, autonomous agents often drift into irreproducible trajectories, where early-stage hallucinations multiplicatively compound into downstream failures. To overcome this, we present Mozi, a dual-layer architecture that bridges the flexibility of generative AI with the deterministic rigor of computational biology. Layer A (Control Plane) establishes a governed supervisor--worker hierarchy that enforces role-based tool isolation, limits execution to constrained action spaces, and drives reflection-based replanning. Layer B (Workflow Plane) operationalizes canonical drug discovery stages -- from Target Identification to Lead Optimization -- as stateful, composable skill graphs. This layer integrates strict data contracts and strategic human-in-the-loop (HITL) checkpoints to safeguard scientific validity at high-uncertainty decision boundaries. Operating on the design principle of ``free-form reasoning for safe tasks, structured execution for long-horizon pipelines,'' Mozi provides built-in robustness mechanisms and trace-level audibility to completely mitigate error accumulation. We evaluate Mozi on PharmaBench, a curated benchmark for biomedical agents, demonstrating superior orchestration accuracy over existing baselines. Furthermore, through end-to-end therapeutic case studies, we demonstrate Mozi's ability to navigate massive chemical spaces, enforce stringent toxicity filters, and generate highly competitive in silico candidates, effectively transforming the LLM from a fragile conversationalist into a reliable, governed co-scientist.

Junjie Zhou, Haijun Xiong, Junhao Lu et al.

Skeleton-based gait emotion recognition has received significant attention due to its wide-ranging applications. However, existing methods primarily focus on extracting spatial and local temporal motion information, failing to capture long-range temporal representations. In this paper, we propose \textbf{CGTGait}, a novel framework that collaboratively integrates graph convolution and transformers to extract discriminative spatiotemporal features for gait emotion recognition. Specifically, CGTGait consists of multiple CGT blocks, where each block employs graph convolution to capture frame-level spatial topology and the transformer to model global temporal dependencies. Additionally, we introduce a Bidirectional Cross-Stream Fusion (BCSF) module to effectively aggregate posture and motion spatiotemporal features, facilitating the exchange of complementary information between the two streams. We evaluate our method on two widely used datasets, Emotion-Gait and ELMD, demonstrating that our CGTGait achieves state-of-the-art or at least competitive performance while reducing computational complexity by approximately \textbf{82.2\%} (only requiring 0.34G FLOPs) during testing. Code is available at \small{https://github.com/githubzjj1/CGTGait.}

Juntong Wu, Zijing Liu, He Cao et al.

In recent years, protein-text models have gained significant attention for their potential in protein generation and understanding. Current approaches focus on integrating protein-related knowledge into large language models through continued pretraining and multi-modal alignment, enabling simultaneous comprehension of textual descriptions and protein sequences. Through a thorough analysis of existing model architectures and text-based protein understanding benchmarks, we identify significant data leakage issues present in current benchmarks. Moreover, conventional metrics derived from natural language processing fail to accurately assess the model's performance in this domain. To address these limitations, we reorganize existing datasets and introduce a novel evaluation framework based on biological entities. Motivated by our observation, we propose a retrieval-enhanced method, which significantly outperforms fine-tuned LLMs for protein-to-text generation and shows accuracy and efficiency in training-free scenarios. Our code and data can be seen at https://github.com/IDEA-XL/RAPM.

Haijun Xiong, Yunze Deng, Bin Feng et al.

Gait recognition, a growing field in biological recognition technology, utilizes distinct walking patterns for accurate individual identification. However, existing methods lack the incorporation of temporal information. To reach the full potential of gait recognition, we advocate for the consideration of temporal features at varying granularities and spans. This paper introduces a novel framework, GaitGS, which aggregates temporal features simultaneously in both granularity and span dimensions. Specifically, the Multi-Granularity Feature Extractor (MGFE) is designed to capture micro-motion and macro-motion information at fine and coarse levels respectively, while the Multi-Span Feature Extractor (MSFE) generates local and global temporal representations. Through extensive experiments on two datasets, our method demonstrates state-of-the-art performance, achieving Rank-1 accuracy of 98.2%, 96.5%, and 89.7% on CASIA-B under different conditions, and 97.6% on OU-MVLP. The source code will be available at https://github.com/Haijun-Xiong/GaitGS.

Yuxin Fang, Shusheng Yang, Xinggang Wang et al.

Recently, query based object detection frameworks achieve comparable performance with previous state-of-the-art object detectors. However, how to fully leverage such frameworks to perform instance segmentation remains an open problem. In this paper, we present QueryInst (Instances as Queries), a query based instance segmentation method driven by parallel supervision on dynamic mask heads. The key insight of QueryInst is to leverage the intrinsic one-to-one correspondence in object queries across different stages, as well as one-to-one correspondence between mask RoI features and object queries in the same stage. This approach eliminates the explicit multi-stage mask head connection and the proposal distribution inconsistency issues inherent in non-query based multi-stage instance segmentation methods. We conduct extensive experiments on three challenging benchmarks, i.e., COCO, CityScapes, and YouTube-VIS to evaluate the effectiveness of QueryInst in instance segmentation and video instance segmentation (VIS) task. Specifically, using ResNet-101-FPN backbone, QueryInst obtains 48.1 box AP and 42.8 mask AP on COCO test-dev, which is 2 points higher than HTC in terms of both box AP and mask AP, while runs 2.4 times faster. For video instance segmentation, QueryInst achieves the best performance among all online VIS approaches and strikes a decent speed-accuracy trade-off. Code is available at \url{https://github.com/hustvl/QueryInst}.

Jiwei Xu, Xinggang Wang, Bin Feng et al.

Text-independent speaker verification is an important artificial intelligence problem that has a wide spectrum of applications, such as criminal investigation, payment certification, and interest-based customer services. The purpose of text-independent speaker verification is to determine whether two given uncontrolled utterances originate from the same speaker or not. Extracting speech features for each speaker using deep neural networks is a promising direction to explore and a straightforward solution is to train the discriminative feature extraction network by using a metric learning loss function. However, a single loss function often has certain limitations. Thus, we use deep multi-metric learning to address the problem and introduce three different losses for this problem, i.e., triplet loss, n-pair loss and angular loss. The three loss functions work in a cooperative way to train a feature extraction network equipped with Residual connections and squeeze-and-excitation attention. We conduct experiments on the large-scale \texttt{VoxCeleb2} dataset, which contains over a million utterances from over $6,000$ speakers, and the proposed deep neural network obtains an equal error rate of $3.48\%$, which is a very competitive result. Codes for both training and testing and pretrained models are available at \url{https://github.com/GreatJiweix/DmmlTiSV}, which is the first publicly available code repository for large-scale text-independent speaker verification with performance on par with the state-of-the-art systems.

Bin Feng, Meng Zheng, Wei Liang et al.

In this paper, we propose a generalizable deep neural network model for indoor pathloss radio map prediction (termed as IPP-Net). IPP-Net is based on a UNet architecture and learned from both large-scale ray tracing simulation data and a modified 3GPP indoor hotspot model. The performance of IPP-Net is evaluated in the First Indoor Pathloss Radio Map Prediction Challenge in ICASSP 2025. The evaluation results show that IPP-Net achieves a weighted root mean square error of 9.501 dB on three competition tasks and obtains the second overall ranking.

Hao Li, He Cao, Bin Feng et al.

While large language models (LLMs) with Chain-of-Thought (CoT) reasoning excel in mathematics and coding, their potential for systematic reasoning in chemistry, a domain demanding rigorous structural analysis for real-world tasks like drug design and reaction engineering, remains untapped. Current benchmarks focus on simple knowledge retrieval, neglecting step-by-step reasoning required for complex tasks such as molecular optimization and reaction prediction. To address this, we introduce ChemCoTBench, a reasoning framework that bridges molecular structure understanding with arithmetic-inspired operations, including addition, deletion, and substitution, to formalize chemical problem-solving into transparent, step-by-step workflows. By treating molecular transformations as modular "chemical operations", the framework enables slow-thinking reasoning, mirroring the logic of mathematical proofs while grounding solutions in real-world chemical constraints. We evaluate models on two high-impact tasks: Molecular Property Optimization and Chemical Reaction Prediction. These tasks mirror real-world challenges while providing structured evaluability. By providing annotated datasets, a reasoning taxonomy, and baseline evaluations, ChemCoTBench bridges the gap between abstract reasoning methods and practical chemical discovery, establishing a foundation for advancing LLMs as tools for AI-driven scientific innovation.

Jiayi Pan, Chengcan Wang, Kaifu Zheng et al.

Large language models (LLMs) have shown remarkable capabilities in various tasks. However their huge model size and the consequent demand for computational and memory resources also pose challenges to model deployment. Currently, 4-bit post-training quantization (PTQ) has achieved some success in LLMs, reducing the memory footprint by approximately 75% compared to FP16 models, albeit with some accuracy loss. In this paper, we propose SmoothQuant+, an accurate and efficient 4-bit weight-only PTQ that requires no additional training, which enables lossless in accuracy for LLMs for the first time. Based on the fact that the loss of weight quantization is amplified by the activation outliers, SmoothQuant+ smoothes the activation outliers by channel before quantization, while adjusting the corresponding weights for mathematical equivalence, and then performs group-wise 4-bit weight quantization for linear layers. We have integrated SmoothQuant+ into the vLLM framework, an advanced high-throughput inference engine specially developed for LLMs, and equipped it with an efficient W4A16 CUDA kernels, so that vLLM can seamlessly support SmoothQuant+ 4-bit weight quantization. Our results show that, with SmoothQuant+, the Code Llama-34B model can be quantized and deployed on a A100 40GB GPU, achieving lossless accuracy and a throughput increase of 1.9 to 4.0 times compared to the FP16 model deployed on two A100 40GB GPUs. Moreover, the latency per token is only 68% of the FP16 model deployed on two A100 40GB GPUs. This is the state-of-the-art 4-bit weight quantization for LLMs as we know.

Kangjie Zheng, Siyue Liang, Junwei Yang et al.

SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.

Yunze Deng, Haijun Xiong, Bin Feng et al.

Text-to-4D generation is rapidly developing and widely applied in various scenarios. However, existing methods often fail to incorporate adequate spatio-temporal modeling and prompt alignment within a unified framework, resulting in temporal inconsistencies, geometric distortions, or low-quality 4D content that deviates from the provided texts. Therefore, we propose STP4D, a novel approach that aims to integrate comprehensive spatio-temporal-prompt consistency modeling for high-quality text-to-4D generation. Specifically, STP4D employs three carefully designed modules: Time-varying Prompt Embedding, Geometric Information Enhancement, and Temporal Extension Deformation, which collaborate to accomplish this goal. Furthermore, STP4D is among the first methods to exploit the Diffusion model to generate 4D Gaussians, combining the fine-grained modeling capabilities and the real-time rendering process of 4DGS with the rapid inference speed of the Diffusion model. Extensive experiments demonstrate that STP4D excels in generating high-fidelity 4D content with exceptional efficiency (approximately 4.6s per asset), surpassing existing methods in both quality and speed.

Peng Liu, Heng-Chao Li, Sen Lei et al.

Crowd counting, which is a key computer vision task, has emerged as a fundamental technology in crowd analysis and public safety management. However, challenges such as scale variations and complex backgrounds significantly impact the accuracy of crowd counting. To mitigate these issues, this paper proposes a robust Transformer-based crowd counting network, termed RCCFormer, specifically designed for background suppression and scale awareness. The proposed method incorporates a Multi-level Feature Fusion Module (MFFM), which meticulously integrates features extracted at diverse stages of the backbone architecture. It establishes a strong baseline capable of capturing intricate and comprehensive feature representations, surpassing traditional baselines. Furthermore, the introduced Detail-Embedded Attention Block (DEAB) captures contextual information and local details through global self-attention and local attention along with a learnable manner for efficient fusion. This enhances the model's ability to focus on foreground regions while effectively mitigating background noise interference. Additionally, we develop an Adaptive Scale-Aware Module (ASAM), with our novel Input-dependent Deformable Convolution (IDConv) as its fundamental building block. This module dynamically adapts to changes in head target shapes and scales, significantly improving the network's capability to accommodate large-scale variations. The effectiveness of the proposed method is validated on the ShanghaiTech Part_A and Part_B, NWPU-Crowd, and QNRF datasets. The results demonstrate that our RCCFormer achieves excellent performance across all four datasets, showcasing state-of-the-art outcomes.

Maodong Li, Jiying Zhang, Bin Feng et al.

Drug-protein binding and dissociation dynamics are fundamental to understanding molecular interactions in biological systems. While many tools for drug-protein interaction studies have emerged, especially artificial intelligence (AI)-based generative models, predictive tools on binding/dissociation kinetics and dynamics are still limited. We propose a novel research paradigm that combines molecular dynamics (MD) simulations, enhanced sampling, and AI generative models to address this issue. We propose an enhanced sampling strategy to efficiently implement the drug-protein dissociation process in MD simulations and estimate the free energy surface (FES). We constructed a program pipeline of MD simulations based on this sampling strategy, thus generating a dataset including 26,612 drug-protein dissociation trajectories containing about 13 million frames. We named this dissociation dynamics dataset DD-13M and used it to train a deep equivariant generative model UnbindingFlow, which can generate collision-free dissociation trajectories. The DD-13M database and UnbindingFlow model represent a significant advancement in computational structural biology, and we anticipate its broad applicability in machine learning studies of drug-protein interactions. Our ongoing efforts focus on expanding this methodology to encompass a broader spectrum of drug-protein complexes and exploring novel applications in pathway prediction.

Bin Feng, Shulan Ruan, Mingzheng Yang et al.

As more and more internet users post images online to express their daily emotions, image sentiment analysis has attracted increasing attention. Recently, researchers generally tend to design different neural networks to extract visual features from images for sentiment analysis. Despite the significant progress, metadata, the data (e.g., text descriptions and keyword tags) for describing the image, has not been sufficiently explored in this task. In this paper, we propose a novel Metadata Enhanced Transformer for sentiment analysis (SentiFormer) to fuse multiple metadata and the corresponding image into a unified framework. Specifically, we first obtain multiple metadata of the image and unify the representations of diverse data. To adaptively learn the appropriate weights for each metadata, we then design an adaptive relevance learning module to highlight more effective information while suppressing weaker ones. Moreover, we further develop a cross-modal fusion module to fuse the adaptively learned representations and make the final prediction. Extensive experiments on three publicly available datasets demonstrate the superiority and rationality of our proposed method.

Kangjie Zheng, Junwei Yang, Siyue Liang et al.

Masked Language Models (MLMs) have achieved remarkable success in many self-supervised representation learning tasks. MLMs are trained by randomly masking portions of the input sequences with [MASK] tokens and learning to reconstruct the original content based on the remaining context. This paper explores the impact of [MASK] tokens on MLMs. Analytical studies show that masking tokens can introduce the corrupted semantics problem, wherein the corrupted context may convey multiple, ambiguous meanings. This problem is also a key factor affecting the performance of MLMs on downstream tasks. Based on these findings, we propose a novel enhanced-context MLM, ExLM. Our approach expands [MASK] tokens in the input context and models the dependencies between these expanded states. This enhancement increases context capacity and enables the model to capture richer semantic information, effectively mitigating the corrupted semantics problem during pre-training. Experimental results demonstrate that ExLM achieves significant performance improvements in both text modeling and SMILES modeling tasks. Further analysis confirms that ExLM enriches semantic representations through context enhancement, and effectively reduces the semantic multimodality commonly observed in MLMs.

Hao Li, He Cao, Shenyao Peng et al.

Language models are revolutionizing the biochemistry domain, assisting scientists in drug design and chemical synthesis with high efficiency. Yet current approaches struggle between small language models prone to hallucination and limited knowledge retention, and large cloud-based language models plagued by privacy risks and high inference costs. To bridge this gap, we introduce ChemCRAFT, a novel framework leveraging agentic reinforcement learning to decouple chemical reasoning from knowledge storage. Instead of forcing the model to memorize vast chemical data, our approach empowers the language model to interact with a sandbox for precise information retrieval. This externalization of knowledge allows a locally deployable small model to achieve superior performance with minimal inference costs. To enable small language models for agent-calling ability, we build an agentic trajectory construction pipeline and a comprehensive chemical-agent sandbox. Based on sandbox interactions, we constructed ChemToolDataset, the first large-scale chemical tool trajectory dataset. Simultaneously, we propose SMILES-GRPO to build a dense chemical reward function, promoting the model's ability to call chemical agents. Evaluations across diverse aspects of drug design show that ChemCRAFT outperforms current cloud-based LLMs in molecular structure analysis, molecular optimization, and synthesis pathway prediction, demonstrating that scientific reasoning is not solely an emergent ability of model scale, but a learnable policy of tool orchestration. This work establishes a cost-effective and privacy-preserving paradigm for AI-aided chemistry, opening new avenues for accelerating molecular discovery with locally deployable agents.

Wenrui Zhang, Xinggang Wang, Bin Feng et al.

Optical Chemical Structure Recognition (OCSR) plays a pivotal role in modern chemical informatics, enabling the automated conversion of chemical structure images from scientific literature, patents, and educational materials into machine-readable molecular representations. This capability is essential for large-scale chemical data mining, drug discovery pipelines, and Large Language Model (LLM) applications in related domains. However, existing OCSR systems face significant challenges in accurately recognizing stereochemical information due to the subtle visual cues that distinguish stereoisomers, such as wedge and dash bonds, ring conformations, and spatial arrangements. To address these challenges, we propose MolSight, a comprehensive learning framework for OCSR that employs a three-stage training paradigm. In the first stage, we conduct pre-training on large-scale but noisy datasets to endow the model with fundamental perception capabilities for chemical structure images. In the second stage, we perform multi-granularity fine-tuning using datasets with richer supervisory signals, systematically exploring how auxiliary tasks-specifically chemical bond classification and atom localization-contribute to molecular formula recognition. Finally, we employ reinforcement learning for post-training optimization and introduce a novel stereochemical structure dataset. Remarkably, we find that even with MolSight's relatively compact parameter size, the Group Relative Policy Optimization (GRPO) algorithm can further enhance the model's performance on stereomolecular. Through extensive experiments across diverse datasets, our results demonstrate that MolSight achieves state-of-the-art performance in (stereo)chemical optical structure recognition.

Bin Feng, Jiying Zhang, Xinni Zhang et al.

Molecular dynamics (MD) simulations are essential tools in computational chemistry and drug discovery, offering crucial insights into dynamic molecular behavior. However, their utility is significantly limited by substantial computational costs, which severely restrict accessible timescales for many biologically relevant processes. Despite the encouraging performance of existing machine learning (ML) methods, they struggle to generate extended biomolecular system trajectories, primarily due to the lack of MD datasets and the large computational demands of modeling long historical trajectories. Here, we introduce BioMD, the first all-atom generative model to simulate long-timescale protein-ligand dynamics using a hierarchical framework of forecasting and interpolation. We demonstrate the effectiveness and versatility of BioMD on the DD-13M (ligand unbinding) and MISATO datasets. For both datasets, BioMD generates highly realistic conformations, showing high physical plausibility and low reconstruction errors. Besides, BioMD successfully generates ligand unbinding paths for 97.1% of the protein-ligand systems within ten attempts, demonstrating its ability to explore critical unbinding pathways. Collectively, these results establish BioMD as a tool for simulating complex biomolecular processes, offering broad applicability for computational chemistry and drug discovery.

Yunze Deng, Haijun Xiong, Bin Feng

Gait recognition is a biometric technology that identifies individuals by using walking patterns. Due to the significant achievements of multimodal fusion in gait recognition, we consider employing LiDAR-camera fusion to obtain robust gait representations. However, existing methods often overlook intrinsic characteristics of modalities, and lack fine-grained fusion and temporal modeling. In this paper, we introduce a novel modality-sensitive network LiCAF for LiDAR-camera fusion, which employs an asymmetric modeling strategy. Specifically, we propose Asymmetric Cross-modal Channel Attention (ACCA) and Interlaced Cross-modal Temporal Modeling (ICTM) for cross-modal valuable channel information selection and powerful temporal modeling. Our method achieves state-of-the-art performance (93.9% in Rank-1 and 98.8% in Rank-5) on the SUSTech1K dataset, demonstrating its effectiveness.

Zhengqi Zhao, Xiaohu Huang, Hao Zhou et al.

The key to action counting is accurately locating each video's repetitive actions. Instead of estimating the probability of each frame belonging to an action directly, we propose a dual-branch network, i.e., SkimFocusNet, working in a two-step manner. The model draws inspiration from empirical observations indicating that humans typically engage in coarse skimming of entire sequences to grasp the general action pattern initially, followed by a finer, frame-by-frame focus to determine if it aligns with the target action. Specifically, SkimFocusNet incorporates a skim branch and a focus branch. The skim branch scans the global contextual information throughout the sequence to identify potential target action for guidance. Subsequently, the focus branch utilizes the guidance to diligently identify repetitive actions using a long-short adaptive guidance (LSAG) block. Additionally, we have observed that videos in existing datasets often feature only one type of repetitive action, which inadequately represents real-world scenarios. To more accurately describe real-life situations, we establish the Multi-RepCount dataset, which includes videos containing multiple repetitive motions. On Multi-RepCount, our SkimFoucsNet can perform specified action counting, that is, to enable counting a particular action type by referencing an exemplary video. This capability substantially exhibits the robustness of our method. Extensive experiments demonstrate that SkimFocusNet achieves state-of-the-art performances with significant improvements. We also conduct a thorough ablation study to evaluate the network components. The source code will be published upon acceptance.

Shusheng Yang, Yuxin Fang, Xinggang Wang et al.

Recently, query based deep networks catch lots of attention owing to their end-to-end pipeline and competitive results on several fundamental computer vision tasks, such as object detection, semantic segmentation, and instance segmentation. However, how to establish a query based video instance segmentation (VIS) framework with elegant architecture and strong performance remains to be settled. In this paper, we present \textbf{QueryTrack} (i.e., tracking instances as queries), a unified query based VIS framework fully leveraging the intrinsic one-to-one correspondence between instances and queries in QueryInst. The proposed method obtains 52.7 / 52.3 AP on YouTube-VIS-2019 / 2021 datasets, which wins the 2-nd place in the YouTube-VIS Challenge at CVPR 2021 \textbf{with a single online end-to-end model, single scale testing \& modest amount of training data}. We also provide QueryTrack-ResNet-50 baseline results on YouTube-VIS-2021 val set as references for the VIS community.

Shusheng Yang, Yuxin Fang, Xinggang Wang et al.

Modeling temporal visual context across frames is critical for video instance segmentation (VIS) and other video understanding tasks. In this paper, we propose a fast online VIS model named CrossVIS. For temporal information modeling in VIS, we present a novel crossover learning scheme that uses the instance feature in the current frame to pixel-wisely localize the same instance in other frames. Different from previous schemes, crossover learning does not require any additional network parameters for feature enhancement. By integrating with the instance segmentation loss, crossover learning enables efficient cross-frame instance-to-pixel relation learning and brings cost-free improvement during inference. Besides, a global balanced instance embedding branch is proposed for more accurate and more stable online instance association. We conduct extensive experiments on three challenging VIS benchmarks, \ie, YouTube-VIS-2019, OVIS, and YouTube-VIS-2021 to evaluate our methods. To our knowledge, CrossVIS achieves state-of-the-art performance among all online VIS methods and shows a decent trade-off between latency and accuracy. Code will be available to facilitate future research.

Changxu Cheng, Wuheng Xu, Xiang Bai et al.

Chinese text recognition is more challenging than Latin text due to the large amount of fine-grained Chinese characters and the great imbalance over classes, which causes a serious overfitting problem. We propose to apply Maximum Entropy Regularization to regularize the training process, which is to simply add a negative entropy term to the canonical cross-entropy loss without any additional parameters and modification of a model. We theoretically give the convergence probability distribution and analyze how the regularization influence the learning process. Experiments on Chinese character recognition, Chinese text line recognition and fine-grained image classification achieve consistent improvement, proving that the regularization is beneficial to generalization and robustness of a recognition model.

Changxu Cheng, Qiuhui Huang, Xiang Bai et al.

Script identification in the wild is of great importance in a multi-lingual robust-reading system. The scripts deriving from the same language family share a large set of characters, which makes script identification a fine-grained classification problem. Most existing methods make efforts to learn a single representation that combines the local features by making a weighted average or other clustering methods, which may reduce the discriminatory power of some important parts in each script for the interference of redundant features. In this paper, we present a novel module named Patch Aggregator (PA), which learns a more discriminative representation for script identification by taking into account the prediction scores of local patches. Specifically, we design a CNN-based method consisting of a standard CNN classifier and a PA module. Experiments demonstrate that the proposed PA module brings significant performance improvements over the baseline CNN model, achieving the state-of-the-art results on three benchmark datasets for script identification: SIW-13, CVSI 2015 and RRC-MLT 2017.