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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…

Machine Learning · Computer Science 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,…

Machine Learning · Statistics 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…

Machine Learning · Computer Science 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…

Artificial Intelligence · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 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…

Machine Learning · Computer Science 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…

Methodology · Statistics 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Robotics · Computer Science 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…

Machine Learning · Computer Science 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…

Computational Geometry · Computer Science 2025-12-19 Ilya Trofimov , Daria Voronkova , Alexander Mironenko , Anton Dmitriev , Eduard Tulchinskii , Evgeny Burnaev , Serguei Barannikov

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…

Machine Learning · Computer Science 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…

Physics and Society · Physics 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,…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Machine Learning · Computer Science 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…

Computer Vision and Pattern Recognition · Computer Science 2026-02-25 Lin Li , Ziqi Jiang , Gefan Ye , Zhenqi He , Jiahui Li , Jun Xiao , Kwang-Ting Cheng , Long Chen