Sihang Li

Sihang Li, Xiang Wang, An zhang et al.

Leading graph contrastive learning (GCL) methods perform graph augmentations in two fashions: (1) randomly corrupting the anchor graph, which could cause the loss of semantic information, or (2) using domain knowledge to maintain salient features, which undermines the generalization to other domains. Taking an invariance look at GCL, we argue that a high-performing augmentation should preserve the salient semantics of anchor graphs regarding instance-discrimination. To this end, we relate GCL with invariant rationale discovery, and propose a new framework, Rationale-aware Graph Contrastive Learning (RGCL). Specifically, without supervision signals, RGCL uses a rationale generator to reveal salient features about graph instance-discrimination as the rationale, and then creates rationale-aware views for contrastive learning. This rationale-aware pre-training scheme endows the backbone model with the powerful representation ability, further facilitating the fine-tuning on downstream tasks. On MNIST-Superpixel and MUTAG datasets, visual inspections on the discovered rationales showcase that the rationale generator successfully captures the salient features (i.e. distinguishing semantic nodes in graphs). On biochemical molecule and social network benchmark datasets, the state-of-the-art performance of RGCL demonstrates the effectiveness of rationale-aware views for contrastive learning. Our codes are available at https://github.com/lsh0520/RGCL.

Liangliang Yao, Changhong Fu, Sihang Li et al.

Vision-based object tracking has boosted extensive autonomous applications for unmanned aerial vehicles (UAVs). However, the dynamic changes in flight maneuver and viewpoint encountered in UAV tracking pose significant difficulties, e.g. , aspect ratio change, and scale variation. The conventional cross-correlation operation, while commonly used, has limitations in effectively capturing perceptual similarity and incorporates extraneous background information. To mitigate these limitations, this work presents a novel saliency-guided dynamic vision Transformer (SGDViT) for UAV tracking. The proposed method designs a new task-specific object saliency mining network to refine the cross-correlation operation and effectively discriminate foreground and background information. Additionally, a saliency adaptation embedding operation dynamically generates tokens based on initial saliency, thereby reducing the computational complexity of the Transformer architecture. Finally, a lightweight saliency filtering Transformer further refines saliency information and increases the focus on appearance information. The efficacy and robustness of the proposed approach have been thoroughly assessed through experiments on three widely-used UAV tracking benchmarks and real-world scenarios, with results demonstrating its superiority. The source code and demo videos are available at https://github.com/vision4robotics/SGDViT.

Zhiyuan Liu, Sihang Li, Yanchen Luo et al.

Language Models (LMs) have demonstrated impressive molecule understanding ability on various 1D text-related tasks. However, they inherently lack 2D graph perception - a critical ability of human professionals in comprehending molecules' topological structures. To bridge this gap, we propose MolCA: Molecular Graph-Language Modeling with Cross-Modal Projector and Uni-Modal Adapter. MolCA enables an LM (e.g., Galactica) to understand both text- and graph-based molecular contents via the cross-modal projector. Specifically, the cross-modal projector is implemented as a Q-Former to connect a graph encoder's representation space and an LM's text space. Further, MolCA employs a uni-modal adapter (i.e., LoRA) for the LM's efficient adaptation to downstream tasks. Unlike previous studies that couple an LM with a graph encoder via cross-modal contrastive learning, MolCA retains the LM's ability of open-ended text generation and augments it with 2D graph information. To showcase its effectiveness, we extensively benchmark MolCA on tasks of molecule captioning, IUPAC name prediction, and molecule-text retrieval, on which MolCA significantly outperforms the baselines. Our codes and checkpoints can be found at https://github.com/acharkq/MolCA.

Changhong Fu, Haolin Dong, Junjie Ye et al.

Low-light environments have posed a formidable challenge for robust unmanned aerial vehicle (UAV) tracking even with state-of-the-art (SOTA) trackers since the potential image features are hard to extract under adverse light conditions. Besides, due to the low visibility, accurate online selection of the object also becomes extremely difficult for human monitors to initialize UAV tracking in ground control stations. To solve these problems, this work proposes a novel enhancer, i.e., HighlightNet, to light up potential objects for both human operators and UAV trackers. By employing Transformer, HighlightNet can adjust enhancement parameters according to global features and is thus adaptive for the illumination variation. Pixel-level range mask is introduced to make HighlightNet more focused on the enhancement of the tracking object and regions without light sources. Furthermore, a soft truncation mechanism is built to prevent background noise from being mistaken for crucial features. Evaluations on image enhancement benchmarks demonstrate HighlightNet has advantages in facilitating human perception. Experiments on the public UAVDark135 benchmark show that HightlightNet is more suitable for UAV tracking tasks than other SOTA low-light enhancers. In addition, real-world tests on a typical UAV platform verify HightlightNet's practicability and efficiency in nighttime aerial tracking-related applications. The code and demo videos are available at https://github.com/vision4robotics/HighlightNet.

Changhong Fu, Mutian Cai, Sihang Li et al.

Unmanned aerial vehicle (UAV) tracking is crucial for autonomous navigation and has broad applications in robotic automation fields. However, reliable UAV tracking remains a challenging task due to various difficulties like frequent occlusion and aspect ratio change. Additionally, most of the existing work mainly focuses on explicit information to improve tracking performance, ignoring potential interframe connections. To address the above issues, this work proposes a novel framework with continuity-aware latent interframe information mining for reliable UAV tracking, i.e., ClimRT. Specifically, a new efficient continuity-aware latent interframe information mining network (ClimNet) is proposed for UAV tracking, which can generate highly-effective latent frame between two adjacent frames. Besides, a novel location-continuity Transformer (LCT) is designed to fully explore continuity-aware spatial-temporal information, thereby markedly enhancing UAV tracking. Extensive qualitative and quantitative experiments on three authoritative aerial benchmarks strongly validate the robustness and reliability of ClimRT in UAV tracking performance. Furthermore, real-world tests on the aerial platform validate its practicability and effectiveness. The code and demo materials are released at https://github.com/vision4robotics/ClimRT.

Changhong Fu, Weiyu Peng, Sihang Li et al.

Transformer-based visual object tracking has been utilized extensively. However, the Transformer structure is lack of enough inductive bias. In addition, only focusing on encoding the global feature does harm to modeling local details, which restricts the capability of tracking in aerial robots. Specifically, with local-modeling to global-search mechanism, the proposed tracker replaces the global encoder by a novel local-recognition encoder. In the employed encoder, a local-recognition attention and a local element correction network are carefully designed for reducing the global redundant information interference and increasing local inductive bias. Meanwhile, the latter can model local object details precisely under aerial view through detail-inquiry net. The proposed method achieves competitive accuracy and robustness in several authoritative aerial benchmarks with 316 sequences in total. The proposed tracker's practicability and efficiency have been validated by the real-world tests.

Yirong Chen, Zhenyu Wang, Xiaofen Xing et al.

Large language models (LLMs) have performed well in providing general and extensive health suggestions in single-turn conversations, exemplified by systems such as ChatGPT, ChatGLM, ChatDoctor, DoctorGLM, and etc. However, the limited information provided by users during single turn results in inadequate personalization and targeting of the generated suggestions, which requires users to independently select the useful part. It is mainly caused by the missing ability to engage in multi-turn questioning. In real-world medical consultations, doctors usually employ a series of iterative inquiries to comprehend the patient's condition thoroughly, enabling them to provide effective and personalized suggestions subsequently, which can be defined as chain of questioning (CoQ) for LLMs. To improve the CoQ of LLMs, we propose BianQue, a ChatGLM-based LLM finetuned with the self-constructed health conversation dataset BianQueCorpus that is consist of multiple turns of questioning and health suggestions polished by ChatGPT. Experimental results demonstrate that the proposed BianQue can simultaneously balance the capabilities of both questioning and health suggestions, which will help promote the research and application of LLMs in the field of proactive health.

Changhong Fu, Sihang Li, Xinnan Yuan et al.

Visual tracking is adopted to extensive unmanned aerial vehicle (UAV)-related applications, which leads to a highly demanding requirement on the robustness of UAV trackers. However, adding imperceptible perturbations can easily fool the tracker and cause tracking failures. This risk is often overlooked and rarely researched at present. Therefore, to help increase awareness of the potential risk and the robustness of UAV tracking, this work proposes a novel adaptive adversarial attack approach, i.e., Ad$^2$Attack, against UAV object tracking. Specifically, adversarial examples are generated online during the resampling of the search patch image, which leads trackers to lose the target in the following frames. Ad$^2$Attack is composed of a direct downsampling module and a super-resolution upsampling module with adaptive stages. A novel optimization function is proposed for balancing the imperceptibility and efficiency of the attack. Comprehensive experiments on several well-known benchmarks and real-world conditions show the effectiveness of our attack method, which dramatically reduces the performance of the most advanced Siamese trackers.

Yiming Li, Sihang Li, Xinhao Liu et al.

Monocular scene understanding is a foundational component of autonomous systems. Within the spectrum of monocular perception topics, one crucial and useful task for holistic 3D scene understanding is semantic scene completion (SSC), which jointly completes semantic information and geometric details from RGB input. However, progress in SSC, particularly in large-scale street views, is hindered by the scarcity of high-quality datasets. To address this issue, we introduce SSCBench, a comprehensive benchmark that integrates scenes from widely used automotive datasets (e.g., KITTI-360, nuScenes, and Waymo). SSCBench follows an established setup and format in the community, facilitating the easy exploration of SSC methods in various street views. We benchmark models using monocular, trinocular, and point cloud input to assess the performance gap resulting from sensor coverage and modality. Moreover, we have unified semantic labels across diverse datasets to simplify cross-domain generalization testing. We commit to including more datasets and SSC models to drive further advancements in this field.

Wei Shi, Ziheng Peng, Sihang Li et al.

LLM agents exhibit a consistent tendency to over-call, invoking tools even in situations where none is needed. On the When2Call benchmark, six models from three families show high call accuracy but much lower no-call accuracy, leaving overall accuracy in the 55%-70% range. We trace this to an Intrinsic Bias Hypothesis (IBH): the call/no-call decision mapping carries an activation-independent call offset, so the model favors call even at activation parity. Using Sparse Autoencoders (SAEs), we recover behavior-aligned feature bases for the call/no_call decision, reduce them to a signed activation margin, and estimate the offset directly. Across all six models, the model is decision-neutral only when no_call activation outweighs call activation, consistent with IBH. We then causally test IBH with Adaptive Margin-Calibrated Steering (AMCS), a closed-form counter-bias shift along SAE decoder directions. Cancelling the diagnosed offset mitigates over-calling and improves overall accuracy with a negligible drop in call accuracy. Our work recasts over-calling from an empirical phenomenon into a mechanistic object amenable to causal correction. Code is available at https://github.com/SKURA502/agent-sae/.

Sihang Li, Jin Huang, Jiaxi Zhuang et al.

Scientific literature understanding is crucial for extracting targeted information and garnering insights, thereby significantly advancing scientific discovery. Despite the remarkable success of Large Language Models (LLMs), they face challenges in scientific literature understanding, primarily due to (1) a lack of scientific knowledge and (2) unfamiliarity with specialized scientific tasks. To develop an LLM specialized in scientific literature understanding, we propose a hybrid strategy that integrates continual pre-training (CPT) and supervised fine-tuning (SFT), to simultaneously infuse scientific domain knowledge and enhance instruction-following capabilities for domain-specific tasks.cIn this process, we identify two key challenges: (1) constructing high-quality CPT corpora, and (2) generating diverse SFT instructions. We address these challenges through a meticulous pipeline, including PDF text extraction, parsing content error correction, quality filtering, and synthetic instruction creation. Applying this strategy, we present a suite of LLMs: SciLitLLM, specialized in scientific literature understanding. These models demonstrate promising performance on scientific literature understanding benchmarks. Our contributions are threefold: (1) We present an effective framework that integrates CPT and SFT to adapt LLMs to scientific literature understanding, which can also be easily adapted to other domains. (2) We propose an LLM-based synthesis method to generate diverse and high-quality scientific instructions, resulting in a new instruction set -- SciLitIns -- for supervised fine-tuning in less-represented scientific domains. (3) SciLitLLM achieves promising performance improvements on scientific literature understanding benchmarks.

Sihang Li, Kuangzheng Li, Haibing Lu

Many companies and organizations have started to use some form of AIenabled auto mated tools to assist in their hiring process, e.g. screening resumes, interviewing candi dates, performance evaluation. While those AI tools have greatly improved human re source operations efficiency and provided conveniences to job seekers as well, there are increasing concerns on unfair treatment to candidates, caused by underlying bias in AI systems. Laws around equal opportunity and fairness, like GDPR, CCPA, are introduced or under development, in attempt to regulate AI. However, it is difficult to implement AI regulations in practice, as technologies are constantly advancing and the risk perti nent to their applications can fail to be recognized. This study examined deep learning methods, a recent technology breakthrough, with focus on their application to automated resume screening. One impressive performance of deep learning methods is the represen tation of individual words as lowdimensional numerical vectors, called word embedding, which are learned from aggregated global wordword cooccurrence statistics from a cor pus, like Wikipedia or Google news. The resulting word representations possess interest ing linear substructures of the word vector space and have been widely used in down stream tasks, like resume screening. However, word embedding inherits and reinforces the stereotyping from the training corpus, as deep learning models essentially learn a probability distribution of words and their relations from history data. Our study finds out that if we rely on such deeplearningpowered automated resume screening tools, it may lead to decisions favoring or disfavoring certain demographic groups and raise eth ical, even legal, concerns. To address the issue, we developed bias mitigation method. Extensive experiments on real candidate resumes are conducted to validate our study

Yutang Ge, Guojiang Zhao, Sihang Li et al.

Designing proteins that satisfy natural language functional requirements is a central goal in protein engineering. A straightforward baseline is to fine-tune generic instruction-tuned LLMs as direct text-to-sequence generators, but this is data- and compute-hungry. With limited supervision, LLMs can produce coherent plans in text yet fail to reliably realize them as sequences. This plan-execute gap motivates ProtoCycle, an agentic framework for protein design that uses LLMs primarily to drive a multi-round, feedback-driven decision cycle. ProtoCycle couples an LLM planner with a lightweight tool environment designed to emulate the iterative workflow of human protein engineering and uses LLM-driven reflection on tool feedback to revise plans. Trained with supervised trajectories and online reinforcement learning, ProtoCycle achieves strong language alignment while maintaining competitive foldability, and ablations show that reflection substantially improves sequence quality.

Zeyu Jiang, Sihang Li, Siqi Tan et al.

Most existing 3D assembly methods treat the problem as pure pose estimation, rearranging observed parts via rigid transformations. In contrast, human assembly naturally couples structural reasoning with holistic shape inference. Inspired by this intuition, we reformulate 3D assembly as a joint problem of assembly and generation. We show that these two processes are mutually reinforcing: assembly provides part-level structural priors for generation, while generation injects holistic shape context that resolves ambiguities in assembly. Unlike prior methods that cannot synthesize missing geometry, we propose CRAG, which simultaneously generates plausible complete shapes and predicts poses for input parts. Extensive experiments demonstrate state-of-the-art performance across in-the-wild objects with diverse geometries, varying part counts, and missing pieces. Our code and models will be released.

Hengxing Cai, Xiaochen Cai, Junhan Chang et al.

Recent breakthroughs in Large Language Models (LLMs) have revolutionized scientific literature analysis. However, existing benchmarks fail to adequately evaluate the proficiency of LLMs in this domain, particularly in scenarios requiring higher-level abilities beyond mere memorization and the handling of multimodal data. In response to this gap, we introduce SciAssess, a benchmark specifically designed for the comprehensive evaluation of LLMs in scientific literature analysis. It aims to thoroughly assess the efficacy of LLMs by evaluating their capabilities in Memorization (L1), Comprehension (L2), and Analysis \& Reasoning (L3). It encompasses a variety of tasks drawn from diverse scientific fields, including biology, chemistry, material, and medicine. To ensure the reliability of SciAssess, rigorous quality control measures have been implemented, ensuring accuracy, anonymization, and compliance with copyright standards. SciAssess evaluates 11 LLMs, highlighting their strengths and areas for improvement. We hope this evaluation supports the ongoing development of LLM applications in scientific literature analysis. SciAssess and its resources are available at \url{https://github.com/sci-assess/SciAssess}.

Junfeng Fang, Shuai Zhang, Chang Wu et al.

Molecular Relational Learning (MRL), aiming to understand interactions between molecular pairs, plays a pivotal role in advancing biochemical research. Recently, the adoption of large language models (LLMs), known for their vast knowledge repositories and advanced logical inference capabilities, has emerged as a promising way for efficient and effective MRL. Despite their potential, these methods predominantly rely on the textual data, thus not fully harnessing the wealth of structural information inherent in molecular graphs. Moreover, the absence of a unified framework exacerbates the issue of information underutilization, as it hinders the sharing of interaction mechanism learned across diverse datasets. To address these challenges, this work proposes a novel LLM-based multi-modal framework for Molecular inTeraction prediction following Chain-of-Thought (CoT) theory, termed MolTC, which effectively integrate graphical information of two molecules in pair. To train MolTC efficiently, we introduce a Multi-hierarchical CoT concept to refine its training paradigm, and conduct a comprehensive Molecular Interactive Instructions dataset for the development of biochemical LLMs involving MRL. Our experiments, conducted across various datasets involving over 4,000,000 molecular pairs, exhibit the superiority of our method over current GNN and LLM-based baselines. Code is available at https://github.com/MangoKiller/MolTC.

Zhiyuan Liu, Yaorui Shi, An Zhang et al.

Molecule-text modeling, which aims to facilitate molecule-relevant tasks with a textual interface and textual knowledge, is an emerging research direction. Beyond single molecules, studying reaction-text modeling holds promise for helping the synthesis of new materials and drugs. However, previous works mostly neglect reaction-text modeling: they primarily focus on modeling individual molecule-text pairs or learning chemical reactions without texts in context. Additionally, one key task of reaction-text modeling -- experimental procedure prediction -- is less explored due to the absence of an open-source dataset. The task is to predict step-by-step actions of conducting chemical experiments and is crucial to automating chemical synthesis. To resolve the challenges above, we propose a new pretraining method, ReactXT, for reaction-text modeling, and a new dataset, OpenExp, for experimental procedure prediction. Specifically, ReactXT features three types of input contexts to incrementally pretrain LMs. Each of the three input contexts corresponds to a pretraining task to improve the text-based understanding of either reactions or single molecules. ReactXT demonstrates consistent improvements in experimental procedure prediction and molecule captioning and offers competitive results in retrosynthesis. Our code is available at https://github.com/syr-cn/ReactXT.

Zhiyuan Liu, Yanchen Luo, Han Huang et al.

3D molecule generation is crucial for drug discovery and material design. While prior efforts focus on 3D diffusion models for their benefits in modeling continuous 3D conformers, they overlook the advantages of 1D SELFIES-based Language Models (LMs), which can generate 100% valid molecules and leverage the billion-scale 1D molecule datasets. To combine these advantages for 3D molecule generation, we propose a foundation model -- NExT-Mol: 3D Diffusion Meets 1D Language Modeling for 3D Molecule Generation. NExT-Mol uses an extensively pretrained molecule LM for 1D molecule generation, and subsequently predicts the generated molecule's 3D conformers with a 3D diffusion model. We enhance NExT-Mol's performance by scaling up the LM's model size, refining the diffusion neural architecture, and applying 1D to 3D transfer learning. Notably, our 1D molecule LM significantly outperforms baselines in distributional similarity while ensuring validity, and our 3D diffusion model achieves leading performances in conformer prediction. Given these improvements in 1D and 3D modeling, NExT-Mol achieves a 26% relative improvement in 3D FCD for de novo 3D generation on GEOM-DRUGS, and a 13% average relative gain for conditional 3D generation on QM9-2014. Our codes and pretrained checkpoints are available at https://github.com/acharkq/NExT-Mol.

Wei Shi, Sihang Li, Tao Liang et al.

Mechanistic interpretability of large language models (LLMs) aims to uncover the internal processes of information propagation and reasoning. Sparse autoencoders (SAEs) have demonstrated promise in this domain by extracting interpretable and monosemantic features. However, prior works primarily focus on feature extraction from a single layer, failing to effectively capture activations that span multiple layers. In this paper, we introduce Route Sparse Autoencoder (RouteSAE), a new framework that integrates a routing mechanism with a shared SAE to efficiently extract features from multiple layers. It dynamically assigns weights to activations from different layers, incurring minimal parameter overhead while achieving high interpretability and flexibility for targeted feature manipulation. We evaluate RouteSAE through extensive experiments on Llama-3.2-1B-Instruct. Specifically, under the same sparsity constraint of 64, RouteSAE extracts 22.5% more features than baseline SAEs while achieving a 22.3% higher interpretability score. These results underscore the potential of RouteSAE as a scalable and effective method for LLM interpretability, with applications in feature discovery and model intervention. Our codes are available at https://github.com/swei2001/RouteSAEs.

Shaobo Wang, Yujie Chen, Yafeng Sun et al.

Modern reasoning agents are increasingly evaluated on their ability to generate multiple valid solution paths, plans, or tool-use traces for a given input. Standard reward-maximizing RL tends to collapse onto the most easily reinforced high-reward mode, whereas distribution-matching RL aims to allocate probability mass across the entire reward-shaped solution set. Achieving this objective requires computing a prompt-dependent partition function over the trajectory space. Because existing distribution-matching methods learn this partition function online alongside the policy, calibration errors in the partition function directly distort policy updates and remain impossible to diagnose independently. We introduce DISA, short for Decoupled Importance-Sampled Anchoring, which moves this calibration problem outside the RL loop. DISA draws proposal trajectories offline, estimates the partition function via importance sampling, and freezes the resulting partition-function estimate before policy optimization begins. This decoupling preserves the distribution-matching objective while strictly separating partition-function estimation from policy learning in data, gradients, loss, and diagnostics. Empirically, on two open-weight backbones across six math and three code benchmarks, DISA matches or exceeds the online-coupled distribution-matching baseline FlowRL, outperforms rewardmaximization baselines GRPO and GSPO on math averages, and exceeds LoRASFT distillation by up to 13.8 Mean@8 points on the same offline trajectories. An LLM-as-judge evaluation further shows that DISA retains substantially more strategy-level diversity than reward-maximization baselines, and sensitivity studies on the proposal strength and inverse temperature follow the bias-variance pattern predicted by the analysis.

Mingjun Xu, Jinhan Dong, Jue Hou et al.

Multimodal document retrieval systems enable information access across text, images, and layouts, benefiting various domains like document-based question answering, report analysis, and interactive content summarization. Rerankers improve retrieval precision by reordering retrieved candidates. However, current multimodal reranking methods remain underexplored, with significant room for improvement in both training strategies and overall effectiveness. Moreover, the lack of explicit reasoning makes it difficult to analyze and optimize these methods further. In this paper, We propose MM-R5, a MultiModal Reasoning-Enhanced ReRanker via Reinforcement Learning for Document Retrieval, aiming to provide a more effective and reliable solution for multimodal reranking tasks. MM-R5 is trained in two stages: supervised fine-tuning (SFT) and reinforcement learning (RL). In the SFT stage, we focus on improving instruction-following and guiding the model to generate complete and high-quality reasoning chains. To support this, we introduce a novel data construction strategy that produces rich, high-quality reasoning data. In the RL stage, we design a task-specific reward framework, including a reranking reward tailored for multimodal candidates and a composite template-based reward to further refine reasoning quality. We conduct extensive experiments on MMDocIR, a challenging public benchmark spanning multiple domains. MM-R5 achieves state-of-the-art performance on most metrics and delivers comparable results to much larger models on the remaining ones. Moreover, compared to the best retrieval-only method, MM-R5 improves recall@1 by over 4%. These results validate the effectiveness of our reasoning-enhanced training pipeline. Our code is available at https://github.com/i2vec/MM-R5 .

Jingyi Pan, Sihang Li, Yucheng Chen et al.

Nighttime semantic segmentation plays a crucial role in practical applications, such as autonomous driving, where it frequently encounters difficulties caused by inadequate illumination conditions and the absence of well-annotated datasets. Moreover, semantic segmentation models trained on daytime datasets often face difficulties in generalizing effectively to nighttime conditions. Unsupervised domain adaptation (UDA) has shown the potential to address the challenges and achieved remarkable results for nighttime semantic segmentation. However, existing methods still face limitations in 1) their reliance on style transfer or relighting models, which struggle to generalize to complex nighttime environments, and 2) their ignorance of dynamic and small objects like vehicles and poles, which are difficult to be directly learned from other domains. This paper proposes a novel UDA method that refines both label and feature levels for dynamic and small objects for nighttime semantic segmentation. First, we propose a dynamic and small object refinement module to complement the knowledge of dynamic and small objects from the source domain to target the nighttime domain. These dynamic and small objects are normally context-inconsistent in under-exposed conditions. Then, we design a feature prototype alignment module to reduce the domain gap by deploying contrastive learning between features and prototypes of the same class from different domains, while re-weighting the categories of dynamic and small objects. Extensive experiments on three benchmark datasets demonstrate that our method outperforms prior arts by a large margin for nighttime segmentation. Project page: https://rorisis.github.io/DSRNSS/.

Yanchen Luo, Zhiyuan Liu, Yi Zhao et al.

3D molecule generation is crucial for drug discovery and material science, requiring models to process complex multi-modalities, including atom types, chemical bonds, and 3D coordinates. A key challenge is integrating these modalities of different shapes while maintaining SE(3) equivariance for 3D coordinates. To achieve this, existing approaches typically maintain separate latent spaces for invariant and equivariant modalities, reducing efficiency in both training and sampling. In this work, we propose \textbf{U}nified Variational \textbf{A}uto-\textbf{E}ncoder for \textbf{3D} Molecular Latent Diffusion Modeling (\textbf{UAE-3D}), a multi-modal VAE that compresses 3D molecules into latent sequences from a unified latent space, while maintaining near-zero reconstruction error. This unified latent space eliminates the complexities of handling multi-modality and equivariance when performing latent diffusion modeling. We demonstrate this by employing the Diffusion Transformer--a general-purpose diffusion model without any molecular inductive bias--for latent generation. Extensive experiments on GEOM-Drugs and QM9 datasets demonstrate that our method significantly establishes new benchmarks in both \textit{de novo} and conditional 3D molecule generation, achieving leading efficiency and quality. On GEOM-Drugs, it reduces FCD by 72.6\% over the previous best result, while achieving over 70\% relative average improvements in geometric fidelity. Our code is released at https://github.com/lyc0930/UAE-3D/.

Sihang Li, Wei Shi, Ziyuan Xie et al.

Reinforcement learning from human feedback (RLHF) is a key paradigm for aligning large language models (LLMs) with human values, yet the reward models at its core remain largely opaque. In this work, we present sparse Autoencoder For Enhanced Reward model (\textbf{SAFER}), a novel framework for interpreting and improving reward models through mechanistic analysis. Leveraging Sparse Autoencoders (SAEs), we uncover human-interpretable features in reward model activations, enabling insight into safety-relevant decision-making. We apply SAFER to safety-oriented preference datasets and quantify the salience of individual features by activation differences between chosen and rejected responses. Using these feature-level signals, we design targeted data poisoning and denoising strategies. Experiments show that SAFER can precisely degrade or enhance safety alignment with minimal data modification, without sacrificing general chat performance. Our approach contributes to interpreting, auditing and refining reward models in high-stakes LLM alignment tasks. Our codes are available at https://github.com/xzy-101/SAFER-code. \textit{This paper discusses topics related to large language model safety and may include discussions or examples that highlight potential risks or unsafe outcomes.}

Shuyi Zhang, Wei Shi, Sihang Li et al.

Large language models (LLMs) have been widely deployed across numerous fields. Reinforcement Learning from Human Feedback (RLHF) leverages reward models (RMs) as proxies for human preferences to align LLM behaviors with human values, making the accuracy, reliability, and interpretability of RMs critical for effective alignment. However, traditional RMs lack interpretability, offer limited insight into the reasoning behind reward assignments, and are inflexible toward user preference shifts. While recent multidimensional RMs aim for improved interpretability, they often fail to provide feature-level attribution and require costly annotations. To overcome these limitations, we introduce the Sparse Autoencoder-enhanced Reward Model (SARM), a novel architecture that integrates a pretrained Sparse Autoencoder (SAE) into a reward model. SARM maps the hidden activations of LLM-based RM into an interpretable, sparse, and monosemantic feature space, from which a scalar head aggregates feature activations to produce transparent and conceptually meaningful reward scores. Empirical evaluations demonstrate that SARM facilitates direct feature-level attribution of reward assignments, allows dynamic adjustment to preference shifts, and achieves superior alignment performance compared to conventional reward models. Our code is available at https://github.com/schrieffer-z/sarm.

Sihang Li, Zhiyuan Liu, Yanchen Luo et al.

Language Models (LMs) have greatly influenced diverse domains. However, their inherent limitation in comprehending 3D molecular structures has considerably constrained their potential in the biomolecular domain. To bridge this gap, we focus on 3D molecule-text interpretation, and propose 3D-MoLM: 3D-Molecular Language Modeling. Specifically, 3D-MoLM enables an LM to interpret and analyze 3D molecules by equipping the LM with a 3D molecular encoder. This integration is achieved by a 3D molecule-text projector, bridging the 3D molecular encoder's representation space and the LM's input space. Moreover, to enhance 3D-MoLM's ability of cross-modal molecular understanding and instruction following, we meticulously curated a 3D molecule-centric instruction tuning dataset -- 3D-MoIT. Through 3D molecule-text alignment and 3D molecule-centric instruction tuning, 3D-MoLM establishes an integration of 3D molecular encoder and LM. It significantly surpasses existing baselines on downstream tasks, including molecule-text retrieval, molecule captioning, and more challenging open-text molecular QA tasks, especially focusing on 3D-dependent properties. We release our codes and datasets at https://github.com/lsh0520/3D-MoLM.

Juexiao Zhang, Gao Zhu, Sihang Li et al.

A proper scene representation is central to the pursuit of spatial intelligence where agents can robustly reconstruct and efficiently understand 3D scenes. A scene representation is either metric, such as landmark maps in 3D reconstruction, 3D bounding boxes in object detection, or voxel grids in occupancy prediction, or topological, such as pose graphs with loop closures in SLAM or visibility graphs in SfM. In this work, we propose to build Multiview Scene Graphs (MSG) from unposed images, representing a scene topologically with interconnected place and object nodes. The task of building MSG is challenging for existing representation learning methods since it needs to jointly address both visual place recognition, object detection, and object association from images with limited fields of view and potentially large viewpoint changes. To evaluate any method tackling this task, we developed an MSG dataset and annotation based on a public 3D dataset. We also propose an evaluation metric based on the intersection-over-union score of MSG edges. Moreover, we develop a novel baseline method built on mainstream pretrained vision models, combining visual place recognition and object association into one Transformer decoder architecture. Experiments demonstrate that our method has superior performance compared to existing relevant baselines.

Yaorui Shi, Sihang Li, Taiyan Zhang et al.

Automated drug discovery offers significant potential for accelerating the development of novel therapeutics by substituting labor-intensive human workflows with machine-driven processes. However, molecules generated by artificial intelligence may unintentionally infringe on existing patents, posing legal and financial risks that impede the full automation of drug discovery pipelines. This paper introduces PatentFinder, a novel multi-agent and tool-enhanced intelligence system that can accurately and comprehensively evaluate small molecules for patent infringement. PatentFinder features five specialized agents that collaboratively analyze patent claims and molecular structures with heuristic and model-based tools, generating interpretable infringement reports. To support systematic evaluation, we curate MolPatent-240, a benchmark dataset tailored for patent infringement assessment algorithms. On this benchmark, PatentFinder outperforms baseline methods that rely solely on large language models or specialized chemical tools, achieving a 13.8% improvement in F1-score and a 12% increase in accuracy. Additionally, PatentFinder autonomously generates detailed and interpretable patent infringement reports, showcasing enhanced accuracy and improved interpretability. The high accuracy and interpretability of PatentFinder make it a valuable and reliable tool for automating patent infringement assessments, offering a practical solution for integrating patent protection analysis into the drug discovery pipeline.

Yaorui Shi, Jiaqi Yang, Changhao Nai et al.

Single-cell RNA sequencing (scRNA-seq) offers detailed insights into cellular heterogeneity. Recent advancements leverage single-cell large language models (scLLMs) for effective representation learning. These models focus exclusively on transcriptomic data, neglecting complementary biological knowledge from textual descriptions. To overcome this limitation, we propose scMMGPT, a novel multimodal framework designed for language-enhanced representation learning in single-cell transcriptomics. Unlike existing methods, scMMGPT employs robust cell representation extraction, preserving quantitative gene expression data, and introduces an innovative two-stage pre-training strategy combining discriminative precision with generative flexibility. Extensive experiments demonstrate that scMMGPT significantly outperforms unimodal and multimodal baselines across key downstream tasks, including cell annotation and clustering, and exhibits superior generalization in out-of-distribution scenarios.

Sihang Li, Zeyu Jiang, Grace Chen et al.

3D reassembly is a challenging spatial intelligence task with broad applications across scientific domains. While large-scale synthetic datasets have fueled promising learning-based approaches, their generalizability to different domains is limited. Critically, it remains uncertain whether models trained on synthetic datasets can generalize to real-world fractures where breakage patterns are more complex. To bridge this gap, we propose GARF, a generalizable 3D reassembly framework for real-world fractures. GARF leverages fracture-aware pretraining to learn fracture features from individual fragments, with flow matching enabling precise 6-DoF alignments. At inference time, we introduce one-step preassembly, improving robustness to unseen objects and varying numbers of fractures. In collaboration with archaeologists, paleoanthropologists, and ornithologists, we curate Fractura, a diverse dataset for vision and learning communities, featuring real-world fracture types across ceramics, bones, eggshells, and lithics. Comprehensive experiments have shown our approach consistently outperforms state-of-the-art methods on both synthetic and real-world datasets, achieving 82.87\% lower rotation error and 25.15\% higher part accuracy. This sheds light on training on synthetic data to advance real-world 3D puzzle solving, demonstrating its strong generalization across unseen object shapes and diverse fracture types.

Guojiang Zhao, Sihang Li, Zixiang Lu et al.

Large Language Models(LLMs) have demonstrated remarkable performance across various domains, yet their capabilities in molecular reasoning remain insufficiently explored. Current approaches tend to rely heavily on general-purpose prompting, which lacks domain-specific molecular semantics, while those that use fine-tuning strategies often face challenges with interpretability and reasoning depth. To address these issues, we introduce MolReasoner, a two-stage framework designed to transition LLMs from memorization towards chemical reasoning. First, we propose Mol-SFT, which initializes the model's reasoning abilities via synthetic Chain-of-Thought(CoT) samples generated by GPT-4o and verified for chemical accuracy. Subsequently, Mol-RL applies reinforcement learning with specialized reward functions designed explicitly to align chemical structures with linguistic descriptions, thereby enhancing molecular reasoning capabilities. Our approach notably enhances interpretability, improving the model 's molecular understanding and enabling better generalization. Extensive experiments demonstrate that MolReasoner outperforms existing methods, and marking a significant shift from memorization-based outputs to robust chemical reasoning.

Hengxing Cai, Xiaochen Cai, Shuwen Yang et al.

In scientific research and its application, scientific literature analysis is crucial as it allows researchers to build on the work of others. However, the fast growth of scientific knowledge has led to a massive increase in scholarly articles, making in-depth literature analysis increasingly challenging and time-consuming. The emergence of Large Language Models (LLMs) has offered a new way to address this challenge. Known for their strong abilities in summarizing texts, LLMs are seen as a potential tool to improve the analysis of scientific literature. However, existing LLMs have their own limits. Scientific literature often includes a wide range of multimodal elements, such as tables, charts, and molecule, which are hard for text-focused LLMs to understand and analyze. This issue points to the urgent need for new solutions that can fully understand and analyze multimodal content in scientific literature. To answer this demand, we present \textbf{Uni-SMART} (Universal Science Multimodal Analysis and Research Transformer), an innovative model designed for in-depth understanding of multimodal scientific literature. Through rigorous quantitative evaluation across several domains, Uni-SMART demonstrates superior performance over other text-focused LLMs. Furthermore, our exploration extends to practical applications, including patent infringement detection and nuanced analysis of charts. These applications not only highlight Uni-SMART's adaptability but also its potential to revolutionize how we interact with scientific literature.

Hengxing Cai, Jinhan Dong, Jingjun Tan et al.

Unmanned Aerial Vehicle (UAV) Vision-and-Language Navigation (VLN) is vital for applications such as disaster response, logistics delivery, and urban inspection. However, existing methods often struggle with insufficient multimodal fusion, weak generalization, and poor interpretability. To address these challenges, we propose FlightGPT, a novel UAV VLN framework built upon Vision-Language Models (VLMs) with powerful multimodal perception capabilities. We design a two-stage training pipeline: first, Supervised Fine-Tuning (SFT) using high-quality demonstrations to improve initialization and structured reasoning; then, Group Relative Policy Optimization (GRPO) algorithm, guided by a composite reward that considers goal accuracy, reasoning quality, and format compliance, to enhance generalization and adaptability. Furthermore, FlightGPT introduces a Chain-of-Thought (CoT)-based reasoning mechanism to improve decision interpretability. Extensive experiments on the city-scale dataset CityNav demonstrate that FlightGPT achieves state-of-the-art performance across all scenarios, with a 9.22\% higher success rate than the strongest baseline in unseen environments. Our implementation is publicly available.

Sihang Li, Siqi Tan, Bowen Chang et al.

Visual localization, which estimates a camera's pose within a known scene, is a long-standing challenge in vision and robotics. Recent end-to-end methods that directly regress camera poses from query images have gained attention for fast inference. However, existing methods often struggle to generalize to unseen views. In this work, we aim to unleash the power of data synthesis to promote the generalizability of pose regression. Specifically, we lift real 2D images into 3D Gaussian Splats with varying appearance and deblurring abilities, which are then used as a data engine to synthesize more posed images. To fully leverage the synthetic data, we build a two-branch joint training pipeline, with an adversarial discriminator to bridge the syn-to-real gap. Experiments on established benchmarks show that our method outperforms state-of-the-art end-to-end approaches, reducing translation and rotation errors by 50% and 21.6% on indoor datasets, and 35.56% and 38.7% on outdoor datasets. We also validate the effectiveness of our method in dynamic driving scenarios under varying weather conditions. Notably, as data synthesis scales up, our method exhibits a growing ability to interpolate and extrapolate training data for localizing unseen views. Project Page: https://ai4ce.github.io/RAP/

Kai Zhang, Jiayi Liao, Chengpeng Li et al.

Test-Time Scaling (TTS) has emerged as an effective paradigm for improving the reasoning performance of large language models (LLMs). However, existing methods -- most notably majority voting and heuristic token-level scoring -- treat reasoning traces or tokens equally, thereby being susceptible to substantial variations in trajectory quality and localized logical failures. In this work, we introduce \textbf{Chronos}, a lightweight and plug-and-play chronological reasoning scorer that models each trajectory as a time series. Specifically, Chronos learns to capture trajectory features of token probabilities, assigns quality scores accordingly, and employs a weighted voting mechanism. Extensive evaluations on both in-domain and out-of-domain benchmarks demonstrate that Chronos consistently delivers substantial gains across a variety of models, with negligible computational overhead. Notably, Chronos@128 achieves relative improvements of 34.21\% over Pass@1 and 22.70\% over Maj@128 on HMMT25 using Qwen3-4B-Thinking-2507, highlighting its effectiveness.

Zhengyang Tang, Zihan Ye, Chenyu Huang et al.

Large Reasoning Models (LRMs) have demonstrated strong capabilities in complex multi-step reasoning, opening new opportunities for automating optimization modeling. However, existing domain adaptation methods, originally designed for earlier instruction-tuned models, often fail to exploit the advanced reasoning patterns of modern LRMs -- In particular, we show that direct fine-tuning on traditional \textit{non-reflective} datasets leads to limited gains. To fully leverage LRMs' inherent reasoning abilities, we propose \textbf{CALM} (\textit{Corrective Adaptation with Lightweight Modification}), a framework that progressively refines LRMs within their native reasoning modes for optimization modeling tasks. In CALM, an expert intervener identifies reasoning flaws and provides concise corrective hints, which the LRM incorporates to produce improved reasoning trajectories. These interventions modify fewer than 2.6\% of generated tokens, but generate high-quality data for soft adaptation through supervised fine-tuning. The adapted model is then further improved through reinforcement learning. Building on CALM, we develop \textbf{STORM} (\textit{Smart Thinking Optimization Reasoning Model}), a 4B-parameter LRM that achieves a new state-of-the-art average accuracy of 68.9\% across five popular optimization modeling benchmarks, matching the performance of a 671B LRM. These results demonstrate that dynamic, hint-based data synthesis both preserves and amplifies the native reasoning patterns of modern LRMs, offering a more effective and scalable path towards expert-level performance on challenging optimization modeling tasks.

Yaorui Shi, Yuxin Chen, Siyuan Wang et al.

Large language models face challenges in long-context question answering, where key evidence of a query may be dispersed across millions of tokens. Existing works equip large language models with a memory corpus that is dynamically updated during a single-pass document scan, also known as the "memorize while reading" methods. While this approach scales efficiently, it suffers from irreversible forward-only processing, information loss through overwriting, and sparse reinforcement learning signals. To tackle these challenges, we present ReMemR1, a memory-augmented agent with callback-enhanced memory that allows selective retrieval from the entire memory history and allows non-linear reasoning and revisiting of early evidence. To further strengthen training, we propose Reinforcement Learning with Multi-Level Rewards (RLMLR), which combines final-answer rewards with dense, step-level signals that guide effective memory use. Together, these contributions mitigate information degradation, improve supervision, and support multi-hop memory utilizing. Experiments on long-document QA show significant gains over existing memory-based approaches, which validates ReMemR1 as an effective solution for long-context reasoning agents.