Abstract:Controllable molecular graph generation is essential for material and drug discovery, where generated molecules must satisfy diverse property constraints. While recent advances in graph diffusion models have improved generation quality, their effectiveness in multi-conditional settings remains limited due to reliance on joint conditioning or continuous relaxations that compromise fidelity. To address these limitations, we propose Composable Score-based Graph Diffusion model (CSGD), the first model that extends score matching to discrete graphs via concrete scores, enabling flexible and principled manipulation of conditional guidance. Building on this foundation, we introduce two score-based techniques: Composable Guidance (CoG), which allows fine-grained control over arbitrary subsets of conditions during sampling, and Probability Calibration (PC), which adjusts estimated transition probabilities to mitigate train-test mismatches. Empirical results on four molecular datasets show that CSGD achieves state-of-the-art performance, with a 15.3% average improvement in controllability over prior methods, while maintaining high validity and distributional fidelity. Our findings highlight the practical advantages of score-based modeling for discrete graph generation and its capacity for flexible, multi-property molecular design.
Abstract:Recent advancements in large language models (LLMs) have revolutionized natural language processing through their remarkable capabilities in understanding and executing diverse tasks. While supervised fine-tuning, particularly in Retrieval-Augmented Generation (RAG) scenarios, effectively enhances task-specific performance, it often leads to catastrophic forgetting, where models lose their previously acquired knowledge and general capabilities. Existing solutions either require access to general instruction data or face limitations in preserving the model's original distribution. To overcome these limitations, we propose SelfAug, a self-distribution alignment method that aligns input sequence logits to preserve the model's semantic distribution, thereby mitigating catastrophic forgetting and improving downstream performance. Extensive experiments demonstrate that SelfAug achieves a superior balance between downstream learning and general capability retention. Our comprehensive empirical analysis reveals a direct correlation between distribution shifts and the severity of catastrophic forgetting in RAG scenarios, highlighting how the absence of RAG capabilities in general instruction tuning leads to significant distribution shifts during fine-tuning. Our findings not only advance the understanding of catastrophic forgetting in RAG contexts but also provide a practical solution applicable across diverse fine-tuning scenarios. Our code is publicly available at https://github.com/USTC-StarTeam/SelfAug.
Abstract:Sequential recommendation predicts each user's next item based on their historical interaction sequence. Recently, diffusion models have attracted significant attention in this area due to their strong ability to model user interest distributions. They typically generate target items by denoising Gaussian noise conditioned on historical interactions. However, these models face two critical limitations. First, they exhibit high sensitivity to the condition, making it difficult to recover target items from pure Gaussian noise. Second, the inference process is computationally expensive, limiting practical deployment. To address these issues, we propose FlowRec, a simple yet effective sequential recommendation framework which leverages flow matching to explicitly model user preference trajectories from current states to future interests. Flow matching is an emerging generative paradigm, which offers greater flexibility in initial distributions and enables more efficient sampling. Based on this, we construct a personalized behavior-based prior distribution to replace Gaussian noise and learn a vector field to model user preference trajectories. To better align flow matching with the recommendation objective, we further design a single-step alignment loss incorporating both positive and negative samples, improving sampling efficiency and generation quality. Extensive experiments on four benchmark datasets verify the superiority of FlowRec over the state-of-the-art baselines.
Abstract:Multi-sensor fusion perception (MSFP) is a key technology for embodied AI, which can serve a variety of downstream tasks (e.g., 3D object detection and semantic segmentation) and application scenarios (e.g., autonomous driving and swarm robotics). Recently, impressive achievements on AI-based MSFP methods have been reviewed in relevant surveys. However, we observe that the existing surveys have some limitations after a rigorous and detailed investigation. For one thing, most surveys are oriented to a single task or research field, such as 3D object detection or autonomous driving. Therefore, researchers in other related tasks often find it difficult to benefit directly. For another, most surveys only introduce MSFP from a single perspective of multi-modal fusion, while lacking consideration of the diversity of MSFP methods, such as multi-view fusion and time-series fusion. To this end, in this paper, we hope to organize MSFP research from a task-agnostic perspective, where methods are reported from various technical views. Specifically, we first introduce the background of MSFP. Next, we review multi-modal and multi-agent fusion methods. A step further, time-series fusion methods are analyzed. In the era of LLM, we also investigate multimodal LLM fusion methods. Finally, we discuss open challenges and future directions for MSFP. We hope this survey can help researchers understand the important progress in MSFP and provide possible insights for future research.
Abstract:Recent years have witnessed remarkable advances in audio-driven talking head generation. However, existing approaches predominantly focus on single-character scenarios. While some methods can create separate conversation videos between two individuals, the critical challenge of generating unified conversation videos with multiple physically co-present characters sharing the same spatial environment remains largely unaddressed. This setting presents two key challenges: audio-to-character correspondence control and the lack of suitable datasets featuring multi-character talking videos within the same scene. To address these challenges, we introduce Bind-Your-Avatar, an MM-DiT-based model specifically designed for multi-talking-character video generation in the same scene. Specifically, we propose (1) A novel framework incorporating a fine-grained Embedding Router that binds `who' and `speak what' together to address the audio-to-character correspondence control. (2) Two methods for implementing a 3D-mask embedding router that enables frame-wise, fine-grained control of individual characters, with distinct loss functions based on observed geometric priors and a mask refinement strategy to enhance the accuracy and temporal smoothness of the predicted masks. (3) The first dataset, to the best of our knowledge, specifically constructed for multi-talking-character video generation, and accompanied by an open-source data processing pipeline, and (4) A benchmark for the dual-talking-characters video generation, with extensive experiments demonstrating superior performance over multiple state-of-the-art methods.
Abstract:Chemical tables encode complex experimental knowledge through symbolic expressions, structured variables, and embedded molecular graphics. Existing benchmarks largely overlook this multimodal and domain-specific complexity, limiting the ability of multimodal large language models to support scientific understanding in chemistry. In this work, we introduce ChemTable, a large-scale benchmark of real-world chemical tables curated from the experimental sections of literature. ChemTable includes expert-annotated cell polygons, logical layouts, and domain-specific labels, including reagents, catalysts, yields, and graphical components and supports two core tasks: (1) Table Recognition, covering structure parsing and content extraction; and (2) Table Understanding, encompassing both descriptive and reasoning-oriented question answering grounded in table structure and domain semantics. We evaluated a range of representative multimodal models, including both open-source and closed-source models, on ChemTable and reported a series of findings with practical and conceptual insights. Although models show reasonable performance on basic layout parsing, they exhibit substantial limitations on both descriptive and inferential QA tasks compared to human performance, and we observe significant performance gaps between open-source and closed-source models across multiple dimensions. These results underscore the challenges of chemistry-aware table understanding and position ChemTable as a rigorous and realistic benchmark for advancing scientific reasoning.
Abstract:Ranking tasks constitute fundamental components of extreme similarity learning frameworks, where extremely large corpora of objects are modeled through relative similarity relationships adhering to predefined ordinal structures. Among various ranking surrogates, Softmax (SM) Loss has been widely adopted due to its natural capability to handle listwise ranking via global negative comparisons, along with its flexibility across diverse application scenarios. However, despite its effectiveness, SM Loss often suffers from significant computational overhead and scalability limitations when applied to large-scale object spaces. To address this challenge, we propose novel loss formulations that align directly with ranking metrics: the Ranking-Generalizable \textbf{squared} (RG$^2$) Loss and the Ranking-Generalizable interactive (RG$^\times$) Loss, both derived through Taylor expansions of the SM Loss. Notably, RG$^2$ reveals the intrinsic mechanisms underlying weighted squared losses (WSL) in ranking methods and uncovers fundamental connections between sampling-based and non-sampling-based loss paradigms. Furthermore, we integrate the proposed RG losses with the highly efficient Alternating Least Squares (ALS) optimization method, providing both generalization guarantees and convergence rate analyses. Empirical evaluations on real-world datasets demonstrate that our approach achieves comparable or superior ranking performance relative to SM Loss, while significantly accelerating convergence. This framework offers the similarity learning community both theoretical insights and practically efficient tools, with methodologies applicable to a broad range of tasks where balancing ranking quality and computational efficiency is essential.
Abstract:Enhancing the multimodal reasoning capabilities of Multimodal Large Language Models (MLLMs) is a challenging task that has attracted increasing attention in the community. Recently, several studies have applied Reinforcement Learning with Verifiable Rewards (RLVR) to the multimodal domain in order to enhance the reasoning abilities of MLLMs. However, these works largely overlook the enhancement of multimodal perception capabilities in MLLMs, which serve as a core prerequisite and foundational component of complex multimodal reasoning. Through McNemar's test, we find that existing RLVR method fails to effectively enhance the multimodal perception capabilities of MLLMs, thereby limiting their further improvement in multimodal reasoning. To address this limitation, we propose Perception-R1, which introduces a novel visual perception reward that explicitly encourages MLLMs to perceive the visual content accurately, thereby can effectively incentivizing both their multimodal perception and reasoning capabilities. Specifically, we first collect textual visual annotations from the CoT trajectories of multimodal problems, which will serve as visual references for reward assignment. During RLVR training, we employ a judging LLM to assess the consistency between the visual annotations and the responses generated by MLLM, and assign the visual perception reward based on these consistency judgments. Extensive experiments on several multimodal reasoning benchmarks demonstrate the effectiveness of our Perception-R1, which achieves state-of-the-art performance on most benchmarks using only 1,442 training data.
Abstract:Although large language models (LLMs) show promise in solving complex mathematical tasks, existing evaluation paradigms rely solely on a coarse measure of overall answer accuracy, which are insufficient for assessing their authentic capabilities. In this paper, we propose \textbf{CogMath}, which comprehensively assesses LLMs' mathematical abilities through the lens of human cognition. Specifically, inspired by psychological theories, CogMath formalizes human reasoning process into 3 stages: \emph{problem comprehension}, \emph{problem solving}, and \emph{solution summarization}. Within these stages, we investigate perspectives such as numerical calculation, knowledge, and counterfactuals, and design a total of 9 fine-grained evaluation dimensions. In each dimension, we develop an ``\emph{Inquiry}-\emph{Judge}-\emph{Reference}'' multi-agent system to generate inquiries that assess LLMs' mastery from this dimension. An LLM is considered to truly master a problem only when excelling in all inquiries from the 9 dimensions. By applying CogMath on three benchmarks, we reveal that the mathematical capabilities of 7 mainstream LLMs are overestimated by 30\%-40\%. Moreover, we locate their strengths and weaknesses across specific stages/dimensions, offering in-depth insights to further enhance their reasoning abilities.
Abstract:Sharpness-Aware Minimization (SAM) optimizer enhances the generalization ability of the machine learning model by exploring the flat minima landscape through weight perturbations. Despite its empirical success, SAM introduces an additional hyper-parameter, the perturbation radius, which causes the sensitivity of SAM to it. Moreover, it has been proved that the perturbation radius and learning rate of SAM are constrained by problem-dependent parameters to guarantee convergence. These limitations indicate the requirement of parameter-tuning in practical applications. In this paper, we propose the algorithm LightSAM which sets the perturbation radius and learning rate of SAM adaptively, thus extending the application scope of SAM. LightSAM employs three popular adaptive optimizers, including AdaGrad-Norm, AdaGrad and Adam, to replace the SGD optimizer for weight perturbation and model updating, reducing sensitivity to parameters. Theoretical results show that under weak assumptions, LightSAM could converge ideally with any choices of perturbation radius and learning rate, thus achieving parameter-agnostic. We conduct preliminary experiments on several deep learning tasks, which together with the theoretical findings validate the the effectiveness of LightSAM.