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Neural Combinatorial Optimization aims to learn to solve a class of combinatorial problems through data-driven methods and notably through employing neural networks by learning the underlying distribution of problem instances. While, so far…

机器学习 · 计算机科学 2025-08-05 Daniela Thyssens , Tim Dernedde , Wilson Sentanoe , Lars Schmidt-Thieme

Combinatorial optimization problems are widespread but inherently challenging due to their discrete nature. The primary limitation of existing methods is that they can only access a small fraction of the solution space at each iteration,…

机器学习 · 统计学 2024-09-27 Hengyuan Ma , Wenlian Lu , Jianfeng Feng

In the new wave of artificial intelligence, deep learning is impacting various industries. As a closely related area, optimization algorithms greatly contribute to the development of deep learning. But the reverse applications are still…

机器学习 · 计算机科学 2019-11-06 Zhengxuan Ling , Xinyu Tao , Yu Zhang , Xi Chen

Combinatorial Optimization (CO) problems are fundamentally important in numerous real-world applications across diverse industries, characterized by entailing enormous solution space and demanding time-sensitive response. Despite recent…

人工智能 · 计算机科学 2025-06-10 Hang Zhao , Kexiong Yu , Yuhang Huang , Renjiao Yi , Chenyang Zhu , Kai Xu

We present FlowDet, the first formulation of object detection using modern Conditional Flow Matching techniques. This work follows from DiffusionDet, which originally framed detection as a generative denoising problem in the bounding box…

计算机视觉与模式识别 · 计算机科学 2025-12-19 Enis Baty , C. P. Bridges , Simon Hadfield

High-fidelity modeling of turbulent flows requires capturing complex spatiotemporal dynamics and multi-scale intermittency, posing a fundamental challenge for traditional knowledge-based systems. While deep generative models, such as…

机器学习 · 计算机科学 2026-04-08 Li Kunpeng , Wan Chenguang , Qu Zhisong , Lim Kyungtak , Virginie Grandgirard , Xavier Garbet , Yu Hua , Ong Yew Soon

Sampling from high-dimensional distributions is a fundamental problem in statistical research and practice. However, great challenges emerge when the target density function is unnormalized and contains isolated modes. We tackle this…

统计方法学 · 统计学 2023-04-11 Yixuan Qiu , Xiao Wang

We introduce DyCO-GNN, a novel unsupervised learning framework for Dynamic Combinatorial Optimization that requires no training data beyond the problem instance itself. DyCO-GNN leverages structural similarities across time-evolving graph…

机器学习 · 计算机科学 2026-01-30 Yiqiao Liao , Farinaz Koushanfar , Parinaz Naghizadeh

Traffic flow forecasting is of great significance for improving the efficiency of transportation systems and preventing emergencies. Due to the highly non-linearity and intricate evolutionary patterns of short-term and long-term traffic…

机器学习 · 计算机科学 2020-12-01 Xu Chen , Yuanxing Zhang , Lun Du , Zheng Fang , Yi Ren , Kaigui Bian , Kunqing Xie

Denoising-based models, including diffusion and flow matching, have led to substantial advances in graph generation. Despite this progress, such models remain constrained by two fundamental limitations: a computational cost that scales…

机器学习 · 计算机科学 2026-04-02 Yoann Boget , Pablo Strasser , Alexandros Kalousis

Combinatorial optimization (CO) problems arise across a broad spectrum of domains, including medicine, logistics, and manufacturing. While exact solutions are often computationally infeasible, many practical applications require…

机器学习 · 计算机科学 2025-05-27 Arman Mielke , Uwe Bauknecht , Thilo Strauss , Mathias Niepert

Diffusion models offer powerful generative capabilities for robot trajectory planning, yet their practical deployment on robots is hindered by a critical bottleneck: a reliance on imitation learning from expert demonstrations. This paradigm…

机器人学 · 计算机科学 2026-02-25 Lei Ye , Haibo Gao , Peng Xu , Zhelin Zhang , Junqi Shan , Ao Zhang , Wei Zhang , Ruyi Zhou , Zongquan Deng , Liang Ding

Continuous Normalizing Flows (CNFs) enable elegant generative modeling but remain bottlenecked by slow sampling: producing a single sample requires solving a nonlinear ODE with hundreds of function evaluations. Recent approaches such as…

机器学习 · 计算机科学 2025-10-23 Erkan Turan , Aristotelis Siozopoulos , Louis Martinez , Julien Gaubil , Emery Pierson , Maks Ovsjanikov

We introduce a topological feedback mechanism for the Travelling Salesman Problem (TSP) by analyzing the divergence between a tour and the minimum spanning tree (MST). Our key contribution is a canonical decomposition theorem that expresses…

Identifying low-energy adsorption geometries on catalytic surfaces is a practical bottleneck for computational heterogeneous catalysis: the difficulty lies not only in the cost of density functional theory (DFT) but in proposing initial…

机器学习 · 计算机科学 2026-02-24 Jiangjie Qiu , Wentao Li , Honghao Chen , Leyi Zhao , Xiaonan Wang

Deep neural networks are being increasingly used for short-term traffic flow prediction, which can be generally categorized as convolutional (CNNs) or graph neural networks (GNNs). CNNs are preferable for region-wise traffic prediction by…

物理与社会 · 物理学 2021-10-12 Wei Zeng , Chengqiao Lin , Kang Liu , Juncong Lin , Anthony K. H. Tung

Generating molecular graphs is crucial in drug design and discovery but remains challenging due to the complex interdependencies between nodes and edges. While diffusion models have demonstrated their potentiality in molecular graph design,…

机器学习 · 计算机科学 2024-11-11 Xiaoyang Hou , Tian Zhu , Milong Ren , Dongbo Bu , Xin Gao , Chunming Zhang , Shiwei Sun

Generative Adversarial Networks have been shown to be powerful in generating content. To this end, they have been studied intensively in the last few years. Nonetheless, training these networks requires solving a saddle point problem that…

机器学习 · 计算机科学 2019-10-09 Jingrong Lin , Keegan Lensink , Eldad Haber

Accurate traffic flow prediction is essential for applications like transport logistics but remains challenging due to complex spatio-temporal correlations and non-linear traffic patterns. Existing methods often model spatial and temporal…

机器学习 · 计算机科学 2025-03-18 Jing Chen , Haocheng Ye , Zhian Ying , Yuntao Sun , Wenqiang Xu

Recent advances in cross-modal few-shot adaptation treat visual-semantic alignment as a continuous feature transport problem via Flow Matching (FM). However, we argue that Euclidean-based FM overlooks fundamental limitations of flat…

计算机视觉与模式识别 · 计算机科学 2026-02-25 Lin Li , Ziqi Jiang , Gefan Ye , Zhenqi He , Jiahui Li , Jun Xiao , Kwang-Ting Cheng , Long Chen