Tianshu Yu

Huan Zhang, Yizhan Li, Wenhao Huang et al. · mila

The convergence of artificial intelligence and materials science presents a transformative opportunity, but achieving true acceleration in discovery requires moving beyond task-isolated, fine-tuned models toward agentic systems that plan, act, and learn across the full discovery loop. This survey advances a unique pipeline-centric view that spans from corpus curation and pretraining, through domain adaptation and instruction tuning, to goal-conditioned agents interfacing with simulation and experimental platforms. Unlike prior reviews, we treat the entire process as an end-to-end system to be optimized for tangible discovery outcomes rather than proxy benchmarks. This perspective allows us to trace how upstream design choices-such as data curation and training objectives-can be aligned with downstream experimental success through effective credit assignment. To bridge communities and establish a shared frame of reference, we first present an integrated lens that aligns terminology, evaluation, and workflow stages across AI and materials science. We then analyze the field through two focused lenses: From the AI perspective, the survey details LLM strengths in pattern recognition, predictive analytics, and natural language processing for literature mining, materials characterization, and property prediction; from the materials science perspective, it highlights applications in materials design, process optimization, and the acceleration of computational workflows via integration with external tools (e.g., DFT, robotic labs). Finally, we contrast passive, reactive approaches with agentic design, cataloging current contributions while motivating systems that pursue long-horizon goals with autonomy, memory, and tool use. This survey charts a practical roadmap towards autonomous, safety-aware LLM agents aimed at discovering novel and useful materials.

Chenguang Wang, Zhouliang Yu, Stephen McAleer et al.

Applying machine learning to combinatorial optimization problems has the potential to improve both efficiency and accuracy. However, existing learning-based solvers often struggle with generalization when faced with changes in problem distributions and scales. In this paper, we propose a new approach called ASP: Adaptive Staircase Policy Space Response Oracle to address these generalization issues and learn a universal neural solver. ASP consists of two components: Distributional Exploration, which enhances the solver's ability to handle unknown distributions using Policy Space Response Oracles, and Persistent Scale Adaption, which improves scalability through curriculum learning. We have tested ASP on several challenging COPs, including the traveling salesman problem, the vehicle routing problem, and the prize collecting TSP, as well as the real-world instances from TSPLib and CVRPLib. Our results show that even with the same model size and weak training signal, ASP can help neural solvers explore and adapt to unseen distributions and varying scales, achieving superior performance. In particular, compared with the same neural solvers under a standard training pipeline, ASP produces a remarkable decrease in terms of the optimality gap with 90.9% and 47.43% on generated instances and real-world instances for TSP, and a decrease of 19% and 45.57% for CVRP.

Junjie Wu, Changqun Xia, Tianshu Yu et al.

Image-based salient object detection (ISOD) in 360° scenarios is significant for understanding and applying panoramic information. However, research on 360° ISOD has not been widely explored due to the lack of large, complex, high-resolution, and well-labeled datasets. Towards this end, we construct a large scale 360° ISOD dataset with object-level pixel-wise annotation on equirectangular projection (ERP), which contains rich panoramic scenes with not less than 2K resolution and is the largest dataset for 360° ISOD by far to our best knowledge. By observing the data, we find current methods face three significant challenges in panoramic scenarios: diverse distortion degrees, discontinuous edge effects and changeable object scales. Inspired by humans' observing process, we propose a view-aware salient object detection method based on a Sample Adaptive View Transformer (SAVT) module with two sub-modules to mitigate these issues. Specifically, the sub-module View Transformer (VT) contains three transform branches based on different kinds of transformations to learn various features under different views and heighten the model's feature toleration of distortion, edge effects and object scales. Moreover, the sub-module Sample Adaptive Fusion (SAF) is to adjust the weights of different transform branches based on various sample features and make transformed enhanced features fuse more appropriately. The benchmark results of 20 state-of-the-art ISOD methods reveal the constructed dataset is very challenging. Moreover, exhaustive experiments verify the proposed approach is practical and outperforms the state-of-the-art methods.

Zhang-Hua Fu, Sipeng Sun, Jintong Ren et al.

For prohibitively large-scale Travelling Salesman Problems (TSPs), existing algorithms face big challenges in terms of both computational efficiency and solution quality. To address this issue, we propose a hierarchical destroy-and-repair (HDR) approach, which attempts to improve an initial solution by applying a series of carefully designed destroy-and-repair operations. A key innovative concept is the hierarchical search framework, which recursively fixes partial edges and compresses the input instance into a small-scale TSP under some equivalence guarantee. This neat search framework is able to deliver highly competitive solutions within a reasonable time. Fair comparisons based on nineteen famous large-scale instances (with 10,000 to 10,000,000 cities) show that HDR is highly competitive against existing state-of-the-art TSP algorithms, in terms of both efficiency and solution quality. Notably, on two large instances with 3,162,278 and 10,000,000 cities, HDR breaks the world records (i.e., best-known results regardless of computation time), which were previously achieved by LKH and its variants, while HDR is completely independent of LKH. Finally, ablation studies are performed to certify the importance and validity of the hierarchical search framework.

Haoyu Zhang, Yu Wang, Guanghao Yin et al.

Though Multimodal Sentiment Analysis (MSA) proves effective by utilizing rich information from multiple sources (e.g., language, video, and audio), the potential sentiment-irrelevant and conflicting information across modalities may hinder the performance from being further improved. To alleviate this, we present Adaptive Language-guided Multimodal Transformer (ALMT), which incorporates an Adaptive Hyper-modality Learning (AHL) module to learn an irrelevance/conflict-suppressing representation from visual and audio features under the guidance of language features at different scales. With the obtained hyper-modality representation, the model can obtain a complementary and joint representation through multimodal fusion for effective MSA. In practice, ALMT achieves state-of-the-art performance on several popular datasets (e.g., MOSI, MOSEI and CH-SIMS) and an abundance of ablation demonstrates the validity and necessity of our irrelevance/conflict suppression mechanism.

Tianshu Yu, Ting-En Lin, Yuchuan Wu et al.

In recent research on large language models (LLMs), there has been a growing emphasis on aligning these models with human values to reduce the impact of harmful content. However, current alignment methods often rely solely on singular forms of human feedback, such as preferences, annotated labels, or natural language critiques, overlooking the potential advantages of combining these feedback types. This limitation leads to suboptimal performance, even when ample training data is available. In this paper, we introduce Constructive and Diverse Feedback (CDF) as a novel method to enhance LLM alignment, inspired by constructivist learning theory. Our approach involves collecting three distinct types of feedback tailored to problems of varying difficulty levels within the training dataset. Specifically, we exploit critique feedback for easy problems, refinement feedback for medium problems, and preference feedback for hard problems. By training our model with this diversified feedback, we achieve enhanced alignment performance while using less training data. To assess the effectiveness of CDF, we evaluate it against previous methods in three downstream tasks: question answering, dialog generation, and text summarization. Experimental results demonstrate that CDF achieves superior performance even with a smaller training dataset.

GLM-4. 5 Team, Aohan Zeng, Xin Lv et al.

We present GLM-4.5, an open-source Mixture-of-Experts (MoE) large language model with 355B total parameters and 32B activated parameters, featuring a hybrid reasoning method that supports both thinking and direct response modes. Through multi-stage training on 23T tokens and comprehensive post-training with expert model iteration and reinforcement learning, GLM-4.5 achieves strong performance across agentic, reasoning, and coding (ARC) tasks, scoring 70.1% on TAU-Bench, 91.0% on AIME 24, and 64.2% on SWE-bench Verified. With much fewer parameters than several competitors, GLM-4.5 ranks 3rd overall among all evaluated models and 2nd on agentic benchmarks. We release both GLM-4.5 (355B parameters) and a compact version, GLM-4.5-Air (106B parameters), to advance research in reasoning and agentic AI systems. Code, models, and more information are available at https://github.com/zai-org/GLM-4.5.

Haoyu Zhang, Zhipeng Li, Yiwen Guo et al.

Omni-modal large language models (OLLMs) aim to unify multimodal understanding and generation, yet incorporating speech with 3D facial animation remains largely unexplored despite its importance for natural interaction. A key challenge arises from the representation mismatch between discrete, token-level semantic reasoning in LLMs and the dense, fine-grained temporal dynamics required for 3D facial motion, which makes direct modeling difficult to optimize under limited data. We propose Expressive Omni (Ex-Omni), an open-source omni-modal framework that augments OLLMs with speech-accompanied 3D facial animation. Ex-Omni reduces learning difficulty by decoupling semantic reasoning from temporal generation, leveraging speech units as temporal scaffolding and a unified token-as-query gated fusion (TQGF) mechanism for controlled semantic injection. We further introduce InstructEx, a dataset aims to facilitate augment OLLMs with speech-accompanied 3D facial animation. Extensive experiments demonstrate that Ex-Omni performs competitively against existing open-source OLLMs while enabling stable aligned speech and facial animation generation.

Zihan Zhou, Tianshu Yu

A complex system with cluttered observations may be a coupled mixture of multiple simple sub-systems corresponding to latent entities. Such sub-systems may hold distinct dynamics in the continuous-time domain; therein, complicated interactions between sub-systems also evolve over time. This setting is fairly common in the real world but has been less considered. In this paper, we propose a sequential learning approach under this setting by decoupling a complex system for handling irregularly sampled and cluttered sequential observations. Such decoupling brings about not only subsystems describing the dynamics of each latent entity but also a meta-system capturing the interaction between entities over time. Specifically, we argue that the meta-system evolving within a simplex is governed by projected differential equations (ProjDEs). We further analyze and provide neural-friendly projection operators in the context of Bregman divergence. Experimental results on synthetic and real-world datasets show the advantages of our approach when facing complex and cluttered sequential data compared to the state-of-the-art.

Haoyu Zhang, Wenbin Wang, Tianshu Yu

The field of Multimodal Sentiment Analysis (MSA) has recently witnessed an emerging direction seeking to tackle the issue of data incompleteness. Recognizing that the language modality typically contains dense sentiment information, we consider it as the dominant modality and present an innovative Language-dominated Noise-resistant Learning Network (LNLN) to achieve robust MSA. The proposed LNLN features a dominant modality correction (DMC) module and dominant modality based multimodal learning (DMML) module, which enhances the model's robustness across various noise scenarios by ensuring the quality of dominant modality representations. Aside from the methodical design, we perform comprehensive experiments under random data missing scenarios, utilizing diverse and meaningful settings on several popular datasets (\textit{e.g.,} MOSI, MOSEI, and SIMS), providing additional uniformity, transparency, and fairness compared to existing evaluations in the literature. Empirically, LNLN consistently outperforms existing baselines, demonstrating superior performance across these challenging and extensive evaluation metrics.

Weihuang Wen, Tianshu Yu

The Boolean Satisfiability (SAT) problem stands out as an attractive NP-complete problem in theoretic computer science and plays a central role in a broad spectrum of computing-related applications. Exploiting and tuning SAT solvers under numerous scenarios require massive high-quality industry-level SAT instances, which unfortunately are quite limited in the real world. To address the data insufficiency issue, in this paper, we propose W2SAT, a framework to generate SAT formulas by learning intrinsic structures and properties from given real-world/industrial instances in an implicit fashion. To this end, we introduce a novel SAT representation called Weighted Literal Incidence Graph (WLIG), which exhibits strong representation ability and generalizability against existing counterparts, and can be efficiently generated via a specialized learning-based graph generative model. Decoding from WLIGs into SAT problems is then modeled as finding overlapping cliques with a novel hill-climbing optimization method termed Optimal Weight Coverage (OWC). Experiments demonstrate the superiority of our WLIG-induced approach in terms of graph metrics, efficiency, and scalability in comparison to previous methods. Additionally, we discuss the limitations of graph-based SAT generation for real-world applications, especially when utilizing generated instances for SAT solver parameter-tuning, and pose some potential directions.

Chenguang Wang, Tianshu Yu

We develop a unified theoretical framework for data-free one-step sampling from unnormalized target distributions based on Wasserstein gradient flows. For a broad class of standard f-divergence objectives, we show that the induced velocity field admits the universal form $\mathbf{V}(x)=w(r(x))\,β(x)$, where $β(x)=\nabla \log (p(x)/q(x))$ is shared across objectives and $w$ is determined solely by the choice of divergence. This decomposition shows that standard f-divergence drifts share the same asymptotic target distribution $p$ and differ primarily in how they redistribute transient repair effort across under-covered regions. To formalize this distinction, we derive a one-step regional-response theory for a soft under-coverage functional and obtain a compression--elasticity identity that links divergence choice to the geometry of mass transport into under-covered regions. We further extend the framework beyond the f-divergence family to the Log-Variance (LV) divergence, analyze how the reference distribution alters the resulting drift structure, and motivate a practical LV-inspired surrogate for data-free training. Based on this theory, we instantiate the framework with a KDE-based implementation and describe a complementary normalizing-flow route, enabling one-step inference after training. Experiments on multimodal Gaussian-mixture benchmarks are consistent with the theoretical predictions and demonstrate effective one-step sampling on these targets.

Changqun Xia, Chenxi Xie, Zhentao He et al.

We present an advanced study on more challenging high-resolution salient object detection (HRSOD) from both dataset and network framework perspectives. To compensate for the lack of HRSOD dataset, we thoughtfully collect a large-scale high resolution salient object detection dataset, called UHRSD, containing 5,920 images from real-world complex scenarios at 4K-8K resolutions. All the images are finely annotated in pixel-level, far exceeding previous low-resolution SOD datasets. Aiming at overcoming the contradiction between the sampling depth and the receptive field size in the past methods, we propose a novel one-stage framework for HR-SOD task using pyramid grafting mechanism. In general, transformer-based and CNN-based backbones are adopted to extract features from different resolution images independently and then these features are grafted from transformer branch to CNN branch. An attention-based Cross-Model Grafting Module (CMGM) is proposed to enable CNN branch to combine broken detailed information more holistically, guided by different source feature during decoding process. Moreover, we design an Attention Guided Loss (AGL) to explicitly supervise the attention matrix generated by CMGM to help the network better interact with the attention from different branches. Comprehensive experiments on UHRSD and widely-used SOD datasets demonstrate that our method can simultaneously locate salient object and preserve rich details, outperforming state-of-the-art methods. To verify the generalization ability of the proposed framework, we apply it to the camouflaged object detection (COD) task. Notably, our method performs superior to most state-of-the-art COD methods without bells and whistles.

Tianshu Yu, Changqun Xia, Jia Li

Video portrait segmentation (VPS), aiming at segmenting prominent foreground portraits from video frames, has received much attention in recent years. However, simplicity of existing VPS datasets leads to a limitation on extensive research of the task. In this work, we propose a new intricate large-scale Multi-scene Video Portrait Segmentation dataset MVPS consisting of 101 video clips in 7 scenario categories, in which 10,843 sampled frames are finely annotated at pixel level. The dataset has diverse scenes and complicated background environments, which is the most complex dataset in VPS to our best knowledge. Through the observation of a large number of videos with portraits during dataset construction, we find that due to the joint structure of human body, motion of portraits is part-associated, which leads that different parts are relatively independent in motion. That is, motion of different parts of the portraits is imbalanced. Towards this imbalance, an intuitive and reasonable idea is that different motion states in portraits can be better exploited by decoupling the portraits into parts. To achieve this, we propose a Part-Decoupling Network (PDNet) for video portrait segmentation. Specifically, an Inter-frame Part-Discriminated Attention (IPDA) module is proposed which unsupervisedly segments portrait into parts and utilizes different attentiveness on discriminative features specified to each different part. In this way, appropriate attention can be imposed to portrait parts with imbalanced motion to extract part-discriminated correlations, so that the portraits can be segmented more accurately. Experimental results demonstrate that our method achieves leading performance with the comparison to state-of-the-art methods.

Chiyuan Ma, Zihan Zhou, Tianshu Yu

Learning physical dynamics directly from incomplete observations is challenging because authentic occlusions are structured, sample-dependent, and often missing not at random, whereas existing methods typically rely on heuristic masking rules or predefined mask distributions. We propose Observation-Aligned Mask Priors, a framework that learns the distribution of authentic observation masks and uses it to construct context-query partitions for training from incomplete data. Specifically, we pretrain a Bayesian Flow Network (BFN) on binary observation masks to capture real occlusion topologies, then guide BFN sampling with a globally normalized cross-entropy objective to generate sample-specific masks aligned with each sparse observation. The intersection between the guided mask and the observed mask defines the context, and the remaining observed entries become query targets for a diffusion-based reconstruction model. We show that this intersection-based partitioning gives every valid observed dimension a strictly positive probability of being queried, preventing zero-query dead zones and local generative collapse. Experiments on three real-world oceanographic datasets with authentic satellite occlusions, across resolutions up to 256$\times$256, show consistent improvements over strong diffusion baselines in MSE and PSNR. These results demonstrate that learning mask priors from authentic occlusions is an effective alternative to heuristic masking for learning from incomplete physical observations without access to fully observed fields.

Tianle Zhong, Neiwen Ling, Yifan Pi et al.

Modern LLM RL systems separate rollout generation from policy optimization. These two stages are expected to produce token probabilities that match exactly. However, implementation differences can make them assign different values to the same sequence under the same model weights, inducing Training-Inference Mismatch (TIM). TIM is difficult to inspect because it is entangled with off-policy drift and common stabilization mechanisms. In this work, we isolate TIM in a zero-mismatch diagnostic setting (VeXact), and show that small token-level numerical disagreements can independently cause training collapse. We further show that TIM changes the effective optimization problem, and identify a set of remedies that could mitigate TIM. Our results suggest that TIM is not benign numerical noise, but a systems-level perturbation that should be treated as a first-order factor in analyzing LLM RL stability.

Hao Xu, Xiangru Jian, Xinjian Zhao et al.

This paper introduces GraphOmni, a comprehensive benchmark designed to evaluate the reasoning capabilities of LLMs on graph-theoretic tasks articulated in natural language. GraphOmni encompasses diverse graph types, serialization formats, and prompting schemes, significantly exceeding prior efforts in both scope and depth. Through extensive systematic evaluation, we identify critical interactions among these dimensions, demonstrating their substantial impact on model performance. Our experiments reveal that state-of-the-art models like Claude-3.5 and o4-mini consistently outperform other models, yet even these leading models exhibit substantial room for improvement. Performance variability is evident depending on the specific combinations of factors we considered, underscoring the necessity of comprehensive evaluations across these interconnected dimensions. Additionally, we observe distinct impacts of serialization and prompting strategies between open-source and closed-source models, encouraging the development of tailored approaches. Motivated by the findings, we also propose a reinforcement learning-inspired framework that adaptively selects the optimal factors influencing LLM reasoning capabilities. This flexible and extendable benchmark not only deepens our understanding of LLM performance on structured tasks but also provides a robust foundation for advancing research in LLM-based graph reasoning. The code and datasets are available at https://github.com/GAI-Community/GraphOmni.

Tianshu Yu, Chao Xiang, Mingchuan Yang et al.

Large language models (LLMs) have demonstrated remarkable evaluation and critique capabilities, providing insightful feedback and identifying flaws in various tasks. However, limited research has explored which types of critiques are most effective for improving model responses or how to generate such critiques. To address this gap, we introduce \textbf{R}efinement-oriented \textbf{C}ritique \textbf{O}ptimization (RCO), a novel framework designed to train critic models using refinement signals. RCO uses a feedback loop where critiques, generated by the critic model, guide the actor model in refining its responses. The critique utility (CU) quantifies the effectiveness of these refinements, serving as the reward signal for training the critic model. By focusing on critiques that lead to better refinements, RCO eliminates the need for direct critique preference assessment, ensuring that critiques driving meaningful improvements are rewarded. We evaluate RCO across five tasks, i.e., dialog generation, summarization, question answering, mathematical reasoning, and code generation, and show that it significantly outperforms traditional methods and open-source models in terms of critique quality and refinement outcomes. Our contributions include the introduction of RCO, a novel supervision scheme based on refined response preferences, and comprehensive experimental results that highlight the method's effectiveness in enhancing LLM critique-refinement loops.

Zihan Zhou, Ruiying Liu, Chaolong Ying et al.

Molecular conformation generation, a critical aspect of computational chemistry, involves producing the three-dimensional conformer geometry for a given molecule. Generating molecular conformation via diffusion requires learning to reverse a noising process. Diffusion on inter-atomic distances instead of conformation preserves SE(3)-equivalence and shows superior performance compared to alternative techniques, whereas related generative modelings are predominantly based upon heuristical assumptions. In response to this, we propose a novel molecular conformation generation approach driven by the observation that the disintegration of a molecule can be viewed as casting increasing force fields to its composing atoms, such that the distribution of the change of inter-atomic distance shifts from Gaussian to Maxwell-Boltzmann distribution. The corresponding generative modeling ensures a feasible inter-atomic distance geometry and exhibits time reversibility. Experimental results on molecular datasets demonstrate the advantages of the proposed shifting distribution compared to the state-of-the-art.

Chenguang Wang, Zihan Zhou, Lei Bai et al.

Template-free retrosynthesis methods treat the task as black-box sequence generation, limiting learning efficiency, while semi-template approaches rely on rigid reaction libraries that constrain generalization. We address this gap with a key insight: atom ordering in neural representations matters. Building on this insight, we propose a structure-aware template-free framework that encodes the two-stage nature of chemical reactions as a positional inductive bias. By placing reaction center atoms at the sequence head, our method transforms implicit chemical knowledge into explicit positional patterns that the model can readily capture. The proposed RetroDiT backbone, a graph transformer with rotary position embeddings, exploits this ordering to prioritize chemically critical regions. Combined with discrete flow matching, our approach decouples training from sampling and enables generation in 20--50 steps versus 500 for prior diffusion methods. Our method achieves state-of-the-art performance on both USPTO-50k (61.2% top-1) and the large-scale USPTO-Full (51.3% top-1) with predicted reaction centers. With oracle centers, performance reaches 71.1% and 63.4% respectively, surpassing foundation models trained on 10 billion reactions while using orders of magnitude less data. Ablation studies further reveal that structural priors outperform brute-force scaling: a 280K-parameter model with proper ordering matches a 65M-parameter model without it.

Xuanhao Pan, Chenguang Wang, Chaolong Ying et al.

The ``Heatmap + Monte Carlo Tree Search (MCTS)'' paradigm has recently emerged as a prominent framework for solving the Travelling Salesman Problem (TSP). While considerable effort has been devoted to enhancing heatmap sophistication through advanced learning models, this paper rigorously examines whether this emphasis is justified, critically assessing the relative impact of heatmap complexity versus MCTS configuration. Our extensive empirical analysis across diverse TSP scales, distributions, and benchmarks reveals two pivotal insights: 1) The configuration of MCTS strategies significantly influences solution quality, underscoring the importance of meticulous tuning to achieve optimal results and enabling valid comparisons among different heatmap methodologies. 2) A rudimentary, parameter-free heatmap based on the intrinsic $k$-nearest neighbor structure of TSP instances, when coupled with an optimally tuned MCTS, can match or surpass the performance of more sophisticated, learned heatmaps, demonstrating robust generalizability on problem scale and distribution shift. To facilitate rigorous and fair evaluations in future research, we introduce a streamlined pipeline for standardized MCTS hyperparameter tuning. Collectively, these findings challenge the prevalent assumption that heatmap complexity is the primary determinant of performance, advocating instead for a balanced integration and comprehensive evaluation of both learning and search components within this paradigm. Our code is available at: https://github.com/LOGO-CUHKSZ/rethink_mcts_tsp.

Chenguang Wang, Zhang-Hua Fu, Pinyan Lu et al.

Efficiently training a multi-task neural solver for various combinatorial optimization problems (COPs) has been less studied so far. Naive application of conventional multi-task learning approaches often falls short in delivering a high-quality, unified neural solver. This deficiency primarily stems from the significant computational demands and a lack of adequate consideration for the complexities inherent in COPs. In this paper, we propose a general and efficient training paradigm to deliver a unified combinatorial multi-task neural solver. To this end, we resort to the theoretical loss decomposition for multiple tasks under an encoder-decoder framework, which enables more efficient training via proper bandit task-sampling algorithms through an intra-task influence matrix. By employing theoretically grounded approximations, our method significantly enhances overall performance, regardless of whether it is within constrained training budgets, across equivalent training epochs, or in terms of generalization capabilities, when compared to conventional training schedules. On the real-world datasets of TSPLib and CVRPLib, our method also achieved the best results compared to single task learning and multi-task learning approaches. Additionally, the influence matrix provides empirical evidence supporting common practices in the field of learning to optimize, further substantiating the effectiveness of our approach. Our code is open-sourced and available at https://github.com/LOGO-CUHKSZ/MTL-COP.

Zihan Zhou, Xiaoxue Wang, Tianshu Yu

Generating physically feasible dynamics in a data-driven context is challenging, especially when adhering to physical priors expressed in specific equations or formulas. Existing methodologies often overlook the integration of physical priors, resulting in violation of basic physical laws and suboptimal performance. In this paper, we introduce a novel framework that seamlessly incorporates physical priors into diffusion-based generative models to address this limitation. Our approach leverages two categories of priors: 1) distributional priors, such as roto-translational invariance, and 2) physical feasibility priors, including energy and momentum conservation laws and PDE constraints. By embedding these priors into the generative process, our method can efficiently generate physically realistic dynamics, encompassing trajectories and flows. Empirical evaluations demonstrate that our method produces high-quality dynamics across a diverse array of physical phenomena with remarkable robustness, underscoring its potential to advance data-driven studies in AI4Physics. Our contributions signify a substantial advancement in the field of generative modeling, offering a robust solution to generate accurate and physically consistent dynamics.

Yaomin Wang, Jianting Pan, Ran Tian et al.

The discount factor in reinforcement learning controls both the effective planning horizon and the strength of bootstrapping, yet most deep RL methods use a single fixed value across all states. While state-dependent discounting is conceptually appealing, naive deep actor--critic implementations can become unstable and degenerate toward TD-error collapse. We propose AdaGamma, a practical deep actor--critic method for state-dependent discounting that learns a state-dependent discount function together with a return-consistency objective to regularize the induced backup structure. On the theory side, we analyze the Bellman operator induced by state-dependent discounting and establish its basic well-posedness properties under suitable conditions. Empirically, AdaGamma integrates into both SAC and PPO, yielding consistent improvements on continuous-control benchmarks, and achieves statistically significant gains in an online A/B test on the JD Logistics platform. These results suggest that state-dependent discounting can be made effective in deep RL when coupled with a return-consistency objective that prevents degenerate target manipulation.

Zihan Zhou, Ruiying Liu, Tianshu Yu

Diffusion-based generative models in SE(3)-invariant space have demonstrated promising performance in molecular conformation generation, but typically require solving stochastic differential equations (SDEs) with thousands of update steps. Till now, it remains unclear how to effectively accelerate this procedure explicitly in SE(3)-invariant space, which greatly hinders its wide application in the real world. In this paper, we systematically study the diffusion mechanism in SE(3)-invariant space via the lens of approximate errors induced by existing methods. Thereby, we develop more precise approximate in SE(3) in the context of projected differential equations. Theoretical analysis is further provided as well as empirical proof relating hyper-parameters with such errors. Altogether, we propose a novel acceleration scheme for generating molecular conformations in SE(3)-invariant space. Experimentally, our scheme can generate high-quality conformations with 50x--100x speedup compared to existing methods.

Chaolong Ying, Xinjian Zhao, Tianshu Yu

Recently, there has been an emerging trend to integrate persistent homology (PH) into graph neural networks (GNNs) to enrich expressive power. However, naively plugging PH features into GNN layers always results in marginal improvement with low interpretability. In this paper, we investigate a novel mechanism for injecting global topological invariance into pooling layers using PH, motivated by the observation that filtration operation in PH naturally aligns graph pooling in a cut-off manner. In this fashion, message passing in the coarsened graph acts along persistent pooled topology, leading to improved performance. Experimentally, we apply our mechanism to a collection of graph pooling methods and observe consistent and substantial performance gain over several popular datasets, demonstrating its wide applicability and flexibility.

Libin Lan, Lu Jiang, Tianshu Yu et al.

Video summarization aims to generate a compact, informative, and representative synopsis of raw videos, which is crucial for browsing, analyzing, and understanding video content. Dominant approaches in video summarization primarily rely on recurrent or convolutional neural networks, and more recently on encoder-only transformer architectures. However, these methods typically suffer from several limitations in parallelism, modeling long-range dependencies, and providing explicit generative capabilities. To address these issues, we propose a transformer-like architecture named FullTransNet with two-fold ideas. First, it uses a full transformer with an encoder-decoder structure as an alternative architecture for video summarization. As the full transformer is specifically designed for sequence transduction tasks, its direct application to video summarization is both intuitive and effective. Second, it replaces the standard full attention mechanism with a combination of local and global sparse attention, enabling the model to capture long-range dependencies while significantly reducing computational costs. This local-global sparse attention is applied exclusively at the encoder side, where the majority of computations occur, further enhancing efficiency. Extensive experiments on two widely used benchmark datasets, SumMe and TVSum, demonstrate that our model achieves F-scores of 54.4% and 63.9%, respectively, while maintaining relatively low computational and memory requirements. These results surpass the second-best performing methods by 0.1% and 0.3%, respectively, verifying the effectiveness and efficiency of FullTransNet.

Xinjian Zhao, Chaolong Ying, Tianshu Yu

Graph Neural Networks (GNNs) learn from graph-structured data by passing local messages between neighboring nodes along edges on certain topological layouts. Typically, these topological layouts in modern GNNs are deterministically computed (e.g., attention-based GNNs) or locally sampled (e.g., GraphSage) under heuristic assumptions. In this paper, we for the first time pose that these layouts can be globally sampled via Langevin dynamics following Boltzmann distribution equipped with explicit physical energy, leading to higher feasibility in the physical world. We argue that such a collection of sampled/optimized layouts can capture the wide energy distribution and bring extra expressivity on top of WL-test, therefore easing downstream tasks. As such, we propose Distributional Edge Layouts (DELs) to serve as a complement to a variety of GNNs. DEL is a pre-processing strategy independent of subsequent GNN variants, thus being highly flexible. Experimental results demonstrate that DELs consistently and substantially improve a series of GNN baselines, achieving state-of-the-art performance on multiple datasets.

Chenguang Wang, Xuanhao Pan, Tianshu Yu

Multi-task learning (MTL) aims to leverage shared information among tasks to improve learning efficiency and accuracy. However, MTL often struggles to effectively manage positive and negative transfer between tasks, which can hinder performance improvements. Task grouping addresses this challenge by organizing tasks into meaningful clusters, maximizing beneficial transfer while minimizing detrimental interactions. This paper introduces a principled approach to task grouping in MTL, advancing beyond existing methods by addressing key theoretical and practical limitations. Unlike prior studies, our method offers a theoretically grounded approach that does not depend on restrictive assumptions for constructing transfer gains. We also present a flexible mathematical programming formulation that accommodates a wide range of resource constraints, thereby enhancing its versatility. Experimental results across diverse domains, including computer vision datasets, combinatorial optimization benchmarks, and time series tasks, demonstrate the superiority of our method over extensive baselines, thereby validating its effectiveness and general applicability in MTL without sacrificing efficiency.

Weichen Zhao, Chenguang Wang, Xinyan Wang et al.

This paper presents an analytical study of the oversmoothing issue in diffusion-based Graph Neural Networks (GNNs). Generalizing beyond extant approaches grounded in random walk analysis or particle systems, we approach this problem through operator semigroup theory. This theoretical framework allows us to rigorously prove that oversmoothing is intrinsically linked to the ergodicity of the diffusion operator. Relying on semigroup method, we can quantitatively analyze the dynamic of graph diffusion and give a specific mathematical form of the smoothing feature by ergodicity and invariant measure of operator, which improves previous works only show existence of oversmoothing. This finding further poses a general and mild ergodicity-breaking condition, encompassing the various specific solutions previously offered, thereby presenting a more universal and theoretically grounded approach to relieve oversmoothing in diffusion-based GNNs. Additionally, we offer a probabilistic interpretation of our theory, forging a link with prior works and broadening the theoretical horizon. Our experimental results reveal that this ergodicity-breaking term effectively mitigates oversmoothing measured by Dirichlet energy, and simultaneously enhances performance in node classification tasks.

Zihan Zhou, Ruiying Liu, Jiachen Zheng et al.

Sampling viable 3D structures (e.g., molecules and point clouds) with SE(3)-invariance using diffusion-based models proved promising in a variety of real-world applications, wherein SE(3)-invariant properties can be naturally characterized by the inter-point distance manifold. However, due to the non-trivial geometry, we still lack a comprehensive understanding of the diffusion mechanism within such SE(3)-invariant space. This study addresses this gap by mathematically delineating the diffusion mechanism under SE(3)-invariance, via zooming into the interaction behavior between coordinates and the inter-point distance manifold through the lens of differential geometry. Upon this analysis, we propose accurate and projection-free diffusion SDE and ODE accordingly. Such formulations enable enhancing the performance and the speed of generation pathways; meanwhile offering valuable insights into other systems incorporating SE(3)-invariance.

Xiangru Jian, Hao Xu, Wei Pang et al.

The manufacturing sector is increasingly adopting Multimodal Large Language Models (MLLMs) to transition from simple perception to autonomous execution, yet current evaluations fail to reflect the rigorous demands of real-world manufacturing environments. Progress is hindered by data scarcity and a lack of fine-grained domain semantics in existing datasets. To bridge this gap, we introduce FORGE. Wefirst construct a high-quality multimodal dataset that combines real-world 2D images and 3D point clouds, annotated with fine-grained domain semantics (e.g., exact model numbers). We then evaluate 18 state-of-the-art MLLMs across three manufacturing tasks, namely workpiece verification, structural surface inspection, and assembly verification, revealing significant performance gaps. Counter to conventional understanding, the bottleneck analysis shows that visual grounding is not the primary limiting factor. Instead, insufficient domain-specific knowledge is the key bottleneck, setting a clear direction for future research. Beyond evaluation, we show that our structured annotations can serve as an actionable training resource: supervised fine-tuning of a compact 3B-parameter model on our data yields up to 90.8% relative improvement in accuracy on held-out manufacturing scenarios, providing preliminary evidence for a practical pathway toward domain-adapted manufacturing MLLMs. The code and datasets are available at https://ai4manufacturing.github.io/forge-web.

Chaolong Ying, Yingqi Ruan, Xuemin Chen et al.

The Maximum Common Edge Subgraph (MCES) problem is a crucial challenge with significant implications in domains such as biology and chemistry. Traditional approaches, which include transformations into max-clique and search-based algorithms, suffer from scalability issues when dealing with larger instances. This paper introduces ``Neural Graduated Assignment'' (NGA), a simple, scalable, unsupervised-training-based method that addresses these limitations. Central to NGA is stacking of differentiable assignment optimization with neural components, enabling high-dimensional parameterization of the matching process through a learnable temperature mechanism. We further theoretically analyze the learning dynamics of NGA, showing its design leads to fast convergence, better exploration-exploitation tradeoff, and ability to escape local optima. Extensive experiments across MCES computation, graph similarity estimation, and graph retrieval tasks reveal that NGA not only significantly improves computation time and scalability on large instances but also enhances performance compared to existing methodologies. The introduction of NGA marks a significant advancement in the computation of MCES and offers insights into other assignment problems.

Ruiying Liu, Yuanzhi Liang, Haibin Huang et al.

Group Relative Policy Optimization (GRPO) has emerged as an effective and lightweight framework for post-training visual generative models. However, its performance is fundamentally limited by the ambiguity of textual visual correspondence: a single prompt may validly describe diverse visual outputs, and a single image or video may support multiple equally correct interpretations. This many to many relationship leads reward models to generate uncertain and weakly discriminative signals, causing GRPO to underutilize reliable feedback and overfit noisy ones. We introduce Bayesian Prior-Guided Optimization (BPGO), a novel extension of GRPO that explicitly models reward uncertainty through a semantic prior anchor. BPGO adaptively modulates optimization trust at two levels: inter-group Bayesian trust allocation emphasizes updates from groups consistent with the prior while down-weighting ambiguous ones, and intra-group prior-anchored renormalization sharpens sample distinctions by expanding confident deviations and compressing uncertain scores. Across both image and video generation tasks, BPGO delivers consistently stronger semantic alignment, enhanced perceptual fidelity, and faster convergence than standard GRPO and recent variants.

Xinjian Zhao, Wei Pang, Zhongkai Xue et al.

Graph Neural Networks operate through bottom-up message-passing, fundamentally differing from human visual perception, which intuitively captures global structures first. We investigate the underappreciated potential of vision models for graph understanding, finding they achieve performance comparable to GNNs on established benchmarks while exhibiting distinctly different learning patterns. These divergent behaviors, combined with limitations of existing benchmarks that conflate domain features with topological understanding, motivate our introduction of GraphAbstract. This benchmark evaluates models' ability to perceive global graph properties as humans do: recognizing organizational archetypes, detecting symmetry, sensing connectivity strength, and identifying critical elements. Our results reveal that vision models significantly outperform GNNs on tasks requiring holistic structural understanding and maintain generalizability across varying graph scales, while GNNs struggle with global pattern abstraction and degrade with increasing graph size. This work demonstrates that vision models possess remarkable yet underutilized capabilities for graph structural understanding, particularly for problems requiring global topological awareness and scale-invariant reasoning. These findings open new avenues to leverage this underappreciated potential for developing more effective graph foundation models for tasks dominated by holistic pattern recognition.

Yaoyao Xu, Di Wang, Zihan Zhou et al.

Understanding the dynamic behavior of proteins is critical to elucidating their functional mechanisms, yet generating realistic, temporally coherent trajectories of protein ensembles remains a significant challenge. In this work, we introduce a novel hierarchical autoregressive framework for modeling protein dynamics that leverages the intrinsic multi-scale organization of molecular motions. Unlike existing methods that focus on generating static conformational ensembles or treat dynamic sampling as an independent process, our approach characterizes protein dynamics as a Markovian process. The framework employs a two-scale architecture: a low-resolution model captures slow, collective motions driving major conformational transitions, while a high-resolution model generates detailed local fluctuations conditioned on these large-scale movements. This hierarchical design ensures that the causal dependencies inherent in protein dynamics are preserved, enabling the generation of temporally coherent and physically realistic trajectories. By bridging high-level biophysical principles with state-of-the-art generative modeling, our approach provides an efficient framework for simulating protein dynamics that balances computational efficiency with physical accuracy.

Xiaozhuang Song, Xuanhao Pan, Xinjian Zhao et al.

Retrosynthesis planning enables the discovery of viable synthetic routes for target molecules, playing a crucial role in domains like drug discovery and materials design. Multi-step retrosynthetic planning remains computationally challenging due to exponential search spaces and inference costs. While Large Language Models (LLMs) demonstrate chemical reasoning capabilities, their application to synthesis planning faces constraints on efficiency and cost. To address these challenges, we introduce AOT*, a framework that transforms retrosynthetic planning by integrating LLM-generated chemical synthesis pathways with systematic AND-OR tree search. To this end, AOT* atomically maps the generated complete synthesis routes onto AND-OR tree components, with a mathematically sound design of reward assignment strategy and retrieval-based context engineering, thus enabling LLMs to efficiently navigate in the chemical space. Experimental evaluation on multiple synthesis benchmarks demonstrates that AOT* achieves SOTA performance with significantly improved search efficiency. AOT* exhibits competitive solve rates using 3-5$\times$ fewer iterations than existing LLM-based approaches, with the efficiency advantage becoming more pronounced on complex molecular targets.

Zihan Zhou, Chenguang Wang, Hongyi Ye et al.

Learning physical dynamics from data is a fundamental challenge in machine learning and scientific modeling. Real-world observational data are inherently incomplete and irregularly sampled, posing significant challenges for existing data-driven approaches. In this work, we propose a principled diffusion-based framework for learning physical systems from incomplete training samples. To this end, our method strategically partitions each such sample into observed context and unobserved query components through a carefully designed splitting strategy, then trains a conditional diffusion model to reconstruct the missing query portions given available contexts. This formulation enables accurate imputation across arbitrary observation patterns without requiring complete data supervision. Specifically, we provide theoretical analysis demonstrating that our diffusion training paradigm on incomplete data achieves asymptotic convergence to the true complete generative process under mild regularity conditions. Empirically, we show that our method significantly outperforms existing baselines on synthetic and real-world physical dynamics benchmarks, including fluid flows and weather systems, with particularly strong performance in limited and irregular observation regimes. These results demonstrate the effectiveness of our theoretically principled approach for learning and imputing partially observed dynamics.

Chaolong Ying, Yinan Zhang, Lei Zhang et al.

Map-to-map matching is a critical task for aligning spatial data across heterogeneous sources, yet it remains challenging due to the lack of ground truth correspondences, sparse node features, and scalability demands. In this paper, we propose an unsupervised graph-based framework that addresses these challenges through three key innovations. First, our method is an unsupervised learning approach that requires no training data, which is crucial for large-scale map data where obtaining labeled training samples is challenging. Second, we introduce pseudo coordinates that capture the relative spatial layout of nodes within each map, which enhances feature discriminability and enables scale-invariant learning. Third, we design an mechanism to adaptively balance feature and geometric similarity, as well as a geometric-consistent loss function, ensuring robustness to noisy or incomplete coordinate data. At the implementation level, to handle large-scale maps, we develop a tile-based post-processing pipeline with overlapping regions and majority voting, which enables parallel processing while preserving boundary coherence. Experiments on real-world datasets demonstrate that our method achieves state-of-the-art accuracy in matching tasks, surpassing existing methods by a large margin, particularly in high-noise and large-scale scenarios. Our framework provides a scalable and practical solution for map alignment, offering a robust and efficient alternative to traditional approaches.

Naftaly Wambugu, Ruisheng Wang, Bo Guo et al.

Land cover maps generated from semantic segmentation of high-resolution remotely sensed images have drawn mucon in the photogrammetry and remote sensing research community. Currently, massive fine-resolution remotely sensed (FRRS) images acquired by improving sensing and imaging technologies become available. However, accurate semantic segmentation of such FRRS images is greatly affected by substantial class disparities, the invisibility of key ground objects due to occlusion, and object size variation. Despite the extraordinary potential in deep convolutional neural networks (DCNNs) in image feature learning and representation, extracting sufficient features from FRRS images for accurate semantic segmentation is still challenging. These challenges demand the deep learning models to learn robust features and generate sufficient feature descriptors. Specifically, learning multi-contextual features to guarantee adequate coverage of varied object sizes from the ground scene and harnessing global-local contexts to overcome class disparities challenge even profound networks. Deeper networks significantly lose spatial details due to gradual downsampling processes resulting in poor segmentation results and coarse boundaries. This article presents a stacked deep residual network (SDRNet) for semantic segmentation from FRRS images. The proposed framework utilizes two stacked encoder-decoder networks to harness long-range semantics yet preserve spatial information and dilated residual blocks (DRB) between each encoder and decoder network to capture sufficient global dependencies thus improving segmentation performance. Our experimental results obtained using the ISPRS Vaihingen and Potsdam datasets demonstrate that the SDRNet performs effectively and competitively against current DCNNs in semantic segmentation.

Chenguang Wang, Xiaoyu Zhang, Kaiyuan Cui et al.

Training neural samplers directly from unnormalized densities without access to target distribution samples presents a significant challenge. A critical desideratum in these settings is achieving comprehensive mode coverage, ensuring the sampler captures the full diversity of the target distribution. However, prevailing methods often circumvent the lack of target data by optimizing reverse KL-based objectives. Such objectives inherently exhibit mode-seeking behavior, potentially leading to incomplete representation of the underlying distribution. While alternative approaches strive for better mode coverage, they typically rely on implicit mechanisms like heuristics or iterative refinement. In this work, we propose a principled approach for training diffusion-based samplers by directly targeting an objective analogous to the forward KL divergence, which is conceptually known to encourage mode coverage. We introduce \textit{Importance Weighted Score Matching}, a method that optimizes this desired mode-covering objective by re-weighting the score matching loss using tractable importance sampling estimates, thereby overcoming the absence of target distribution data. We also provide theoretical analysis of the bias and variance for our proposed Monte Carlo estimator and the practical loss function used in our method. Experiments on increasingly complex multi-modal distributions, including 2D Gaussian Mixture Models with up to 120 modes and challenging particle systems with inherent symmetries -- demonstrate that our approach consistently outperforms existing neural samplers across all distributional distance metrics, achieving state-of-the-art results on all benchmarks.

Yidong Luo, Chenguang Wang, Jiahao Yang et al.

Mixed-Integer Linear Programming (MILP) is fundamental to solving complex decision-making problems. The proliferation of MILP instance generation methods, driven by machine learning's demand for diverse optimization datasets and the limitations of static benchmarks, has significantly outpaced standardized evaluation techniques. Consequently, assessing the fidelity and utility of synthetic MILP instances remains a critical, multifaceted challenge. This paper introduces a comprehensive benchmark framework designed for the systematic and objective evaluation of MILP instance generation methods. Our framework provides a unified and extensible methodology, assessing instance quality across crucial dimensions: mathematical validity, structural similarity, computational hardness, and utility in downstream machine learning tasks. A key innovation is its in-depth analysis of solver-internal features -- particularly by comparing distributions of key solver outputs including root node gap, heuristic success rates, and cut plane usage -- leveraging the solver's dynamic solution behavior as an `expert assessment' to reveal nuanced computational resemblances. By offering a structured approach with clearly defined solver-independent and solver-dependent metrics, our benchmark aims to facilitate robust comparisons among diverse generation techniques, spur the development of higher-quality instance generators, and ultimately enhance the reliability of research reliant on synthetic MILP data. The framework's effectiveness in systematically comparing the fidelity of instance sets is demonstrated using contemporary generative models.

Tianshu Yu

Generative Flow Networks (GFlowNets) have emerged as a powerful paradigm for generating composite structures, demonstrating considerable promise across diverse applications. While substantial progress has been made in exploring their modeling validity and connections to other generative frameworks, the theoretical understanding of their learning behavior remains largely uncharted. In this work, we present a rigorous theoretical investigation of GFlowNets' learning behavior, focusing on four fundamental dimensions: convergence, sample complexity, implicit regularization, and robustness. By analyzing these aspects, we seek to elucidate the intricate mechanisms underlying GFlowNet's learning dynamics, shedding light on its strengths and limitations. Our findings contribute to a deeper understanding of the factors influencing GFlowNet performance and provide insights into principled guidelines for their effective design and deployment. This study not only bridges a critical gap in the theoretical landscape of GFlowNets but also lays the foundation for their evolution as a reliable and interpretable framework for generative modeling. Through this, we aspire to advance the theoretical frontiers of GFlowNets and catalyze their broader adoption in the AI community.

Yaomin Wang, Chaolong Ying, Xiaodong Luo et al.

Inference in large-scale Markov Random Fields (MRFs) is a critical yet challenging task, traditionally approached through approximate methods like belief propagation and mean field, or exact methods such as the Toulbar2 solver. These strategies often fail to strike an optimal balance between efficiency and solution quality, particularly as the problem scale increases. This paper introduces NeuroLifting, a novel technique that leverages Graph Neural Networks (GNNs) to reparameterize decision variables in MRFs, facilitating the use of standard gradient descent optimization. By extending traditional lifting techniques into a non-parametric neural network framework, NeuroLifting benefits from the smooth loss landscape of neural networks, enabling efficient and parallelizable optimization. Empirical results demonstrate that, on moderate scales, NeuroLifting performs very close to the exact solver Toulbar2 in terms of solution quality, significantly surpassing existing approximate methods. Notably, on large-scale MRFs, NeuroLifting delivers superior solution quality against all baselines, as well as exhibiting linear computational complexity growth. This work presents a significant advancement in MRF inference, offering a scalable and effective solution for large-scale problems.

Tianshu Yu, Haoyu Gao, Ting-En Lin et al.

Recently, speech-text pre-training methods have shown remarkable success in many speech and natural language processing tasks. However, most previous pre-trained models are usually tailored for one or two specific tasks, but fail to conquer a wide range of speech-text tasks. In addition, existing speech-text pre-training methods fail to explore the contextual information within a dialogue to enrich utterance representations. In this paper, we propose Speech-text dialog Pre-training for spoken dialog understanding with ExpliCiT cRoss-Modal Alignment (SPECTRA), which is the first-ever speech-text dialog pre-training model. Concretely, to consider the temporality of speech modality, we design a novel temporal position prediction task to capture the speech-text alignment. This pre-training task aims to predict the start and end time of each textual word in the corresponding speech waveform. In addition, to learn the characteristics of spoken dialogs, we generalize a response selection task from textual dialog pre-training to speech-text dialog pre-training scenarios. Experimental results on four different downstream speech-text tasks demonstrate the superiority of SPECTRA in learning speech-text alignment and multi-turn dialog context.

Shanchao Yang, Kaili Ma, Baoxiang Wang et al.

Improving the resilience of a network is a fundamental problem in network science, which protects the underlying system from natural disasters and malicious attacks. This is traditionally achieved via successive degree-preserving edge rewiring operations, with the major limitation of being transductive. Inductively solving graph-related tasks with sequential actions is accomplished by adopting graph neural networks (GNNs) coupled with reinforcement learning under the scenario with rich graph features. However, such frameworks cannot be directly applied to resilience tasks where only pure topological structure is available. In this case, GNNs can barely learn useful information, resulting in prohibitive difficulty in making actions for successively rewiring edges under a reinforcement learning context. In this paper, we study in depth the reasons why typical GNNs cause such failure. Based on this investigation, we propose ResiNet, the first end-to-end trainable inductive framework to discover resilient network topologies while balancing network utility. To this end, we reformulate resilience optimization as an MDP equipped with edge rewiring action space, and propose a pure topology-oriented variant of GNN called filtration enhanced graph neural network (FireGNN), which can learn from graphs without rich features. Extensive experiments demonstrate that ResiNet achieves a near-optimal resilience gain on various graphs while balancing the utility, and outperforms existing approaches by a large margin.

Runzhong Wang, Tianqi Zhang, Tianshu Yu et al.

Graph Edit Distance (GED) is a popular similarity measurement for pairwise graphs and it also refers to the recovery of the edit path from the source graph to the target graph. Traditional A* algorithm suffers scalability issues due to its exhaustive nature, whose search heuristics heavily rely on human prior knowledge. This paper presents a hybrid approach by combing the interpretability of traditional search-based techniques for producing the edit path, as well as the efficiency and adaptivity of deep embedding models to achieve a cost-effective GED solver. Inspired by dynamic programming, node-level embedding is designated in a dynamic reuse fashion and suboptimal branches are encouraged to be pruned. To this end, our method can be readily integrated into A* procedure in a dynamic fashion, as well as significantly reduce the computational burden with a learned heuristic. Experimental results on different graph datasets show that our approach can remarkably ease the search process of A* without sacrificing much accuracy. To our best knowledge, this work is also the first deep learning-based GED method for recovering the edit path.

Yikang Li, Tianshu Yu, Baoxin Li

Recognizing Video events in long, complex videos with multiple sub-activities has received persistent attention recently. This task is more challenging than traditional action recognition with short, relatively homogeneous video clips. In this paper, we investigate the problem of recognizing long and complex events with varying action rhythms, which has not been considered in the literature but is a practical challenge. Our work is inspired in part by how humans identify events with varying rhythms: quickly catching frames contributing most to a specific event. We propose a two-stage \emph{end-to-end} framework, in which the first stage selects the most significant frames while the second stage recognizes the event using the selected frames. Our model needs only \emph{event-level labels} in the training stage, and thus is more practical when the sub-activity labels are missing or difficult to obtain. The results of extensive experiments show that our model can achieve significant improvement in event recognition from long videos while maintaining high accuracy even if the test videos suffer from severe rhythm changes. This demonstrates the potential of our method for real-world video-based applications, where test and training videos can differ drastically in rhythms of sub-activities.

Yantian Zha, Yikang Li, Tianshu Yu et al.

Human visual recognition of activities or external agents involves an interplay between high-level plan recognition and low-level perception. Given that, a natural question to ask is: can low-level perception be improved by high-level plan recognition? We formulate the problem of leveraging recognized plans to generate better top-down attention maps \cite{gazzaniga2009,baluch2011} to improve the perception performance. We call these top-down attention maps specifically as plan-recognition-driven attention maps. To address this problem, we introduce the Pixel Dynamics Network. Pixel Dynamics Network serves as an observation model, which predicts next states of object points at each pixel location given observation of pixels and pixel-level action feature. This is like internally learning a pixel-level dynamics model. Pixel Dynamics Network is a kind of Convolutional Neural Network (ConvNet), with specially-designed architecture. Therefore, Pixel Dynamics Network could take the advantage of parallel computation of ConvNets, while learning the pixel-level dynamics model. We further prove the equivalence between Pixel Dynamics Network as an observation model, and the belief update in partially observable Markov decision process (POMDP) framework. We evaluate our Pixel Dynamics Network in event recognition tasks. We build an event recognition system, ER-PRN, which takes Pixel Dynamics Network as a subroutine, to recognize events based on observations augmented by plan-recognition-driven attention.

Zhiyuan Fang, Shu Kong, Tianshu Yu et al.

Grounding textual phrases in visual content is a meaningful yet challenging problem with various potential applications such as image-text inference or text-driven multimedia interaction. Most of the current existing methods adopt the supervised learning mechanism which requires ground-truth at pixel level during training. However, fine-grained level ground-truth annotation is quite time-consuming and severely narrows the scope for more general applications. In this extended abstract, we explore methods to localize flexibly image regions from the top-down signal (in a form of one-hot label or natural languages) with a weakly supervised attention learning mechanism. In our model, two types of modules are utilized: a backbone module for visual feature capturing, and an attentive module generating maps based on regularized bilinear pooling. We construct the model in an end-to-end fashion which is trained by encouraging the spatial attentive map to shift and focus on the region that consists of the best matched visual features with the top-down signal. We demonstrate the preliminary yet promising results on a testbed that is synthesized with multi-label MNIST data.