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Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal…

机器学习 · 计算机科学 2025-07-04 Runzhong Wang , Rui-Xi Wang , Mrunali Manjrekar , Connor W. Coley

Generalized Benders decomposition (GBD) is a globally optimal algorithm for mixed integer nonlinear programming (MINLP) problems, which are NP-hard and can be widely found in the area of wireless resource allocation. The main idea of GBD is…

信息论 · 计算机科学 2020-10-16 Mengyuan Lee , Ning Ma , Guanding Yu , Huaiyu Dai

Quantum Machine Learning (QML) models of molecular HOMO-LUMO-gaps often struggle to achieve satisfying data-efficiency as measured by decreasing prediction errors for increasing training set sizes. Partitioning training sets of organic…

化学物理 · 物理学 2021-10-07 Bernard Mazouin , Alexandre Alain Schöpfer , O. Anatole von Lilienfeld

We consider the problem of minimizing the makespan on batch processing identical machines, subject to compatibility constraints, where two jobs are compatible if they can be processed simultaneously in a same batch. These constraints are…

离散数学 · 计算机科学 2023-09-07 Khaoula Bouakaz , Mourad Boudhar

Vision-Language Models (VLMs) such as CLIP learn a shared embedding space for images and text, yet their representations remain geometrically separated, a phenomenon known as the modality gap. This gap limits tasks requiring cross-modal…

计算机视觉与模式识别 · 计算机科学 2026-04-02 Hongyuan Liu , Qinli Yang , Wen Li , Zhong Zhang , Jiaming Liu , Wei Han , Zhili Qin , Jinxia Guo , Junming Shao

We establish a bridge between spectral clustering and Gromov-Wasserstein Learning (GWL), a recent optimal transport-based approach to graph partitioning. This connection both explains and improves upon the state-of-the-art performance of…

机器学习 · 计算机科学 2021-03-04 Samir Chowdhury , Tom Needham

Attributed graph clustering or community detection which learns to cluster the nodes of a graph is a challenging task in graph analysis. In this paper, we introduce a contrastive learning framework for learning clustering-friendly node…

机器学习 · 计算机科学 2022-05-12 Maedeh Ahmadi , Mehran Safayani , Abdolreza Mirzaei

Graph condensation (GC) has gained significant attention for its ability to synthesize smaller yet informative graphs. However, existing studies often overlook the robustness of GC in scenarios where the original graph is corrupted. In such…

机器学习 · 计算机科学 2025-11-25 Jiayi Luo , Qingyun Sun , Beining Yang , Haonan Yuan , Xingcheng Fu , Yanbiao Ma , Jianxin Li , Philip S. Yu

Graph Neural Network (GNN) is an emerging technique for graph-based learning tasks such as node classification. In this work, we reveal the vulnerability of GNN to the imbalance of node labels. Traditional solutions for imbalanced…

机器学习 · 计算机科学 2022-02-08 Xiaohe Li , Lijie Wen , Yawen Deng , Fuli Feng , Xuming Hu , Lei Wang , Zide Fan

We propose a supervised learning framework for computing solutions of multi-parametric Mixed Integer Linear Programs (MILPs) that arise in Model Predictive Control. Our approach also quantifies sub-optimality for the computed solutions.…

系统与控制 · 电气工程与系统科学 2023-03-24 Luigi Russo , Siddharth H. Nair , Luigi Glielmo , Francesco Borrelli

This paper analyzes the integration of artificial intelligence (AI) with mixed integer linear programming (MILP) to address complex optimization challenges in air transportation with explainability. The study aims to validate the use of…

Deep metric learning applied to various applications has shown promising results in identification, retrieval and recognition. Existing methods often do not consider different granularity in visual similarity. However, in many domain…

计算机视觉与模式识别 · 计算机科学 2021-05-17 Dipu Manandhar , Muhammet Bastan , Kim-Hui Yap

Recent developments in applied mathematics increasingly employ machine learning (ML)-particularly supervised learning-to accelerate numerical computations, such as solving nonlinear partial differential equations. In this work, we extend…

混沌动力学 · 物理学 2025-09-03 V. R. Tjahjono , S. F. Feng , E. R. M. Putri , H. Susanto

This paper proposes a novel module called middle spectrum grouped convolution (MSGC) for efficient deep convolutional neural networks (DCNNs) with the mechanism of grouped convolution. It explores the broad "middle spectrum" area between…

计算机视觉与模式识别 · 计算机科学 2023-04-14 Zhuo Su , Jiehua Zhang , Tianpeng Liu , Zhen Liu , Shuanghui Zhang , Matti Pietikäinen , Li Liu

In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…

机器学习 · 计算机科学 2021-05-10 Chenguang Wang , Ziwen Liu

Federated graph learning (FGL) enables multiple clients to collaboratively train powerful graph neural networks without sharing their private, decentralized graph data. Inherited from generic federated learning, FGL is critically challenged…

机器学习 · 计算机科学 2025-08-15 Xinrui Li , Qilin Fan , Tianfu Wang , Kaiwen Wei , Ke Yu , Xu Zhang

Mixed Integer Linear Programming (MILP) is a fundamental class of NP-hard problems that has garnered significant attention from both academia and industry. The Branch-and-Bound (B\&B) method is the dominant approach for solving MILPs and…

机器学习 · 计算机科学 2025-11-27 Tongkai Lu , Shuai Ma , Chongyang Tao

Since annotating medical images for segmentation tasks commonly incurs expensive costs, it is highly desirable to design an annotation-efficient method to alleviate the annotation burden. Recently, contrastive learning has exhibited a great…

计算机视觉与模式识别 · 计算机科学 2023-09-19 Yixuan Wu , Jintai Chen , Jiahuan Yan , Yiheng Zhu , Danny Z. Chen , Jian Wu

Machine learning is increasingly used to improve decisions within branch-and-bound algorithms for mixed-integer programming. Many existing approaches rely on deep learning, which often requires very large training datasets and substantial…

机器学习 · 计算机科学 2026-04-02 Selin Bayramoğlu , George L Nemhauser , Nikolaos V Sahinidis

Graph summarization as a preprocessing step is an effective and complementary technique for scalable graph neural network (GNN) training. In this work, we propose the Coarsening Via Convolution Matching (CONVMATCH) algorithm and a highly…

机器学习 · 计算机科学 2023-12-27 Charles Dickens , Eddie Huang , Aishwarya Reganti , Jiong Zhu , Karthik Subbian , Danai Koutra