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Energy-based models for discrete domains, such as graphs, explicitly capture relative likelihoods, naturally enabling composable probabilistic inference tasks like conditional generation or enforcing constraints at test-time. However,…

In generative modeling, we often wish to produce samples that maximize a user-specified reward such as aesthetic quality or alignment with human preferences, a problem known as \textit{guidance}. Despite their widespread use, existing…

机器学习 · 计算机科学 2026-05-21 Jerry Y. Huang , Justin Lin , Sheel Shah , Kartik Nair , Nicholas M. Boffi

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…

机器学习 · 计算机科学 2025-05-06 Tianshu Yu

This paper presents a novel framework for aligning learnable latent spaces to arbitrary target distributions by leveraging flow-based generative models as priors. Our method first pretrains a flow model on the target features to capture the…

机器学习 · 计算机科学 2026-03-17 Yizhuo Li , Yuying Ge , Yixiao Ge , Ying Shan , Ping Luo

Graphs are naturally used to describe the structures of various real-world systems in biology, society, computer science etc., where subgraphs or motifs as basic blocks play an important role in function expression and information…

社会与信息网络 · 计算机科学 2021-02-11 Jinhuan Wang , Pengtao Chen , Bin Ma , Jiajun Zhou , Zhongyuan Ruan , Guanrong Chen , Qi Xuan

Network alignment aims to find regions of topological or functional similarities between networks. In computational biology, it can be used to transfer biological knowledge from a well-studied species to a poorly-studied species between…

分子网络 · 定量生物学 2014-10-21 Joseph Crawford , Tijana Milenković

We introduce graphcodes, a novel multi-scale summary of the topological properties of a dataset that is based on the well-established theory of persistent homology. Graphcodes handle datasets that are filtered along two real-valued scale…

代数拓扑 · 数学 2024-05-24 Michael Kerber , Florian Russold

Graph neural networks (GNNs) are shown to be successful in modeling applications with graph structures. However, training an accurate GNN model requires a large collection of labeled data and expressive features, which might be inaccessible…

机器学习 · 计算机科学 2019-06-03 Ziniu Hu , Changjun Fan , Ting Chen , Kai-Wei Chang , Yizhou Sun

This paper focuses on intelligent routing in microservice systems and proposes an end-to-end optimization framework based on graph neural networks. The goal is to improve routing decision efficiency and overall system performance under…

网络与互联网体系结构 · 计算机科学 2025-10-20 Chenrui Hu , Ziyu Cheng , Di Wu , Yuxiao Wang , Feng Liu , Zhimin Qiu

Formation mechanisms are fundamental to the study of complex networks, but learning them from observations is challenging. In real-world domains, one often has access only to the final constructed graph, instead of the full construction…

机器学习 · 计算机科学 2020-07-08 Rakshit Trivedi , Jiachen Yang , Hongyuan Zha

Graph structure learning is a well-established problem that aims at optimizing graph structures adaptive to specific graph datasets to help message passing neural networks (i.e., GNNs) to yield effective and robust node embeddings. However,…

机器学习 · 计算机科学 2023-06-21 Wentao Zhao , Qitian Wu , Chenxiao Yang , Junchi Yan

Generative Flow Networks (GFlowNets) offer a powerful framework for sampling graphs in proportion to their rewards. However, existing approaches suffer from systematic biases due to inaccuracies in state transition probability computations.…

机器学习 · 统计学 2025-10-17 Hohyun Kim , Seunggeun Lee , Min-hwan Oh

Many scientific datasets are of high dimension, and the analysis usually requires visual manipulation by retaining the most important structures of data. Principal curve is a widely used approach for this purpose. However, many existing…

人工智能 · 计算机科学 2016-01-19 Qi Mao , Li Wang , Ivor W. Tsang , Yijun Sun

In Bayesian structure learning, we are interested in inferring a distribution over the directed acyclic graph (DAG) structure of Bayesian networks, from data. Defining such a distribution is very challenging, due to the combinatorially…

Computational fluid dynamics (CFD) provides high-fidelity simulations of fluid flows but remains computationally expensive for many-query applications. In recent years deep learning (DL) has been used to construct data-driven fluid-dynamic…

机器学习 · 计算机科学 2026-04-13 David Ramos , Lucas Lacasa , Fermín Gutiérrez , Eusebio Valero , Gonzalo Rubio

We present a formulation of flow matching as variational inference, which we refer to as variational flow matching (VFM). Based on this formulation we develop CatFlow, a flow matching method for categorical data. CatFlow is easy to…

Flow matching has recently emerged as a promising alternative to diffusion-based generative models, offering faster sampling and simpler training by learning continuous flows governed by ordinary differential equations. Despite growing…

机器学习 · 计算机科学 2025-12-02 Mudit Gaur , Prashant Trivedi , Shuchin Aeron , Amrit Singh Bedi , George K. Atia , Vaneet Aggarwal

We propose a learning-augmented framework for accelerating max-flow computation and image segmentation by integrating Graph Neural Networks (GNNs) with the Ford-Fulkerson algorithm. Rather than predicting initial flows, our method learns…

机器学习 · 计算机科学 2026-04-24 Eleanor Wiesler , Trace Baxley

Pretraining plays a pivotal role in acquiring generalized knowledge from large-scale data, achieving remarkable successes as evidenced by large models in CV and NLP. However, progress in the graph domain remains limited due to fundamental…

人工智能 · 计算机科学 2024-06-21 Yu Song , Haitao Mao , Jiachen Xiao , Jingzhe Liu , Zhikai Chen , Wei Jin , Carl Yang , Jiliang Tang , Hui Liu

Graphs can model complex relationships between objects, enabling a myriad of Web applications such as online page/article classification and social recommendation. While graph neural networks(GNNs) have emerged as a powerful tool for graph…

机器学习 · 计算机科学 2023-02-28 Zemin Liu , Xingtong Yu , Yuan Fang , Xinming Zhang