33 accepted papers
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 w…
This study introduces a novel method for performing Maximum A Posteriori (MAP) estimation on Markov Random Fields (MRFs) that are defined on locally and sparsely connected graphs, broadly existing in real-world applications. We address this long-standing challenge by sampling uniform random spanning…
This paper introduces GraphOmni, a comprehensive benchmark designed to evaluate the reasoning capabilities of LLMs on graph-theoretic tasks articulated in natural language. GraphOmni spans diverse graph types, serialization formats, and prompting schemes, substantially extending upon prior efforts i…
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 diffu…
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
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 in…
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. …
Computational fluid dynamics (CFD) simulations traditionally require extensive computational resources, limiting their utility in many scientific and engineering applications at scale. We introduce Physically-Informed Flow Matching Graph Networks (PIFM-GN), a novel generative framework that directly
Graphs are a fundamental data structure underlying many problems in the natural and social sciences. Over the past decade, Graph Neural Networks (GNNs) have dominated graph machine learning, supported by solid theoretical foundations. Yet scientists often understand graph structure through vision: c
Diffusion-based generative models have recently excelled in generating molecular conformations but struggled with the generalization issue -- models trained on one dataset may produce meaningless conformations on out-of-distribution molecules. On the other hand, distance geometry serves as a genera…
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 su…
Hypergraphs are essential in modeling higher-order complex networks, excelling in representing group interactions within real-world contexts. This is particularly evident in collaboration networks, where they facilitate the capture of groupwise polyadic patterns, extending beyond traditional pairwis…
Multimodal Sentiment Analysis (MSA) aims to predict sentiment from diverse data types, such as video, audio, and language. Recent progress in Multimodal Large Language Models (MLLMs) have demonstrated impressive performance across various tasks. However, in MSA, the increase in computational costs d…
Recent advancements in combining knowledge graphs (KGs) with large language models (LLMs) have demonstrated promising potential in complex KG reasoning tasks, yet existing approaches face limitations in path exploration strategies or excessive computational overhead. We propose ReKG-MCTS, a novel tr…
Sampling from binary quadratic distributions (BQDs) is a fundamental but challenging problem in discrete optimization and probabilistic inference. Previous work established theoretical guarantees for stochastic localization (SL) in continuous domains, where MCMC methods efficiently estimate the requ…
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 modelin…
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 comparab…
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 su…
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…
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 L…
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…
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…
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 sp…
Few-shot relation classification aims to classify the relation type between two given entities in a sentence by training with a few labeled instances for each relation. However, most of existing models fail to distinguish multiple relations that co-exist in one sentence. This paper presents a novel…
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 h…
Deep learning for graph matching (GM) has emerged as an important research topic due to its superior performance over traditional methods and insights it provides for solving other combinatorial problems on graph. While recent deep methods for GM extensively investigated effective node/edge feature…
Determinantal point processes (DPPs) is an effective tool to deliver diversity on multiple machine learning and computer vision tasks. Under deep learning framework, DPP is typically optimized via approximation, which is not straightforward and has some conflict with diversity requirement. We note,…
Graph matching refers to finding vertex correspondence for a pair of graphs, which plays a fundamental role in many vision and learning related tasks. Directly applying gradient-based continuous optimization on graph matching can be attractive for its simplicity but calls for effective ways of conve…
Graph matching aims to establishing node-wise correspondence between two graphs, which is a classic combinatorial problem and in general NP-complete. Until very recently, deep graph matching methods start to resort to deep networks to achieve unprecedented matching accuracy. Along this direction, th…
Though many successful approaches have been proposed for recognizing events in short and homogeneous videos, doing so with long and complex videos remains a challenge. One particular reason is that events in long and complex videos can consist of multiple heterogeneous sub-activities (in terms of rh…
Graph matching has received persistent attention over decades, which can be formulated as a quadratic assignment problem (QAP). We show that a large family of functions, which we define as Separable Functions, can approximate discrete graph matching in the continuous domain asymptotically by varying…
Multi-graph matching refers to finding correspondences across graphs, which are traditionally solved by matching all the graphs in a single batch. However in real-world applications, graphs are often collected incrementally, rather than once for all. In this paper, we present an incremental multi-gr…
As two fundamental problems, graph cuts and graph matching have been intensively investigated over the decades, resulting in vast literature in these two topics respectively. However the way of jointly applying and solving graph cuts and matching receives few attention. In this paper, we first forma…