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Recent years have seen a rapid growth of utilizing graph neural networks (GNNs) in the biomedical domain for tackling drug-related problems. However, like any other deep architectures, GNNs are data hungry. While requiring labels in real…

Biological Physics · Physics 2022-05-03 Mengying Sun , Jing Xing , Huijun Wang , Bin Chen , Jiayu Zhou

Mixed Integer Linear Programming (MILP) is a well-known approach for the cryptanalysis of a symmetric cipher. A number of MILP-based security analyses have been reported for non-linear (SBoxes) and linear layers. Researchers proposed word-…

Cryptography and Security · Computer Science 2023-06-06 Debranjan Pal , Vishal Pankaj Chandratreya , Dipanwita Roy Chowdhury

Graph Contrastive Learning (GCL) seeks to learn nodal or graph representations that contain maximal consistent information from graph-structured data. While node-level contrasting modes are dominating, some efforts commence to explore…

Machine Learning · Computer Science 2024-09-13 Zhenhao Zhao , Minhong Zhu , Chen Wang , Sijia Wang , Jiqiang Zhang , Li Chen , Weiran Cai

Combinatorial Optimization (CO) problems over graphs appear routinely in many applications such as in optimizing traffic, viral marketing in social networks, and matching for job allocation. Due to their combinatorial nature, these problems…

Machine Learning · Computer Science 2024-01-02 Hao Tian , Sourav Medya , Wei Ye

A decision support system relies on frequent re-solving of similar problem instances. While the general structure remains the same in corresponding applications, the input parameters are updated on a regular basis. We propose a generative…

Optimization and Control · Mathematics 2021-02-04 Lovis Anderson , Mark Turner , Thorsten Koch

Although knowing the feeder topology and line impedances is a prerequisite for solving any grid optimization task, utilities oftentimes have limited or outdated information on their electric network assets. Given the rampant integration of…

Optimization and Control · Mathematics 2020-04-08 Sina Taheri , Vassilis Kekatos , Guido Cavraro

Combinatorial optimization (CO) is the fundamental problem at the intersection of computer science, applied mathematics, etc. The inherent hardness in CO problems brings up challenge for solving CO exactly, making deep-neural-network-based…

Machine Learning · Computer Science 2024-10-02 Runzhong Wang , Yang Li , Junchi Yan , Xiaokang Yang

Learning invariant representations is a critical first step in a number of machine learning tasks. A common approach corresponds to the so-called information bottleneck principle in which an application dependent function of mutual…

Machine Learning · Computer Science 2021-02-17 Aditya Kumar Akash , Vishnu Suresh Lokhande , Sathya N. Ravi , Vikas Singh

Graph representation learning has emerged as a powerful tool for preserving graph topology when mapping nodes to vector representations, enabling various downstream tasks such as node classification and community detection. However, most…

Machine Learning · Computer Science 2025-03-21 Kaizhe Fan , Quanjun Li

Contrastive learning methods based on InfoNCE loss are popular in node representation learning tasks on graph-structured data. However, its reliance on data augmentation and its quadratic computational complexity might lead to inconsistency…

Machine Learning · Computer Science 2022-12-12 Hengrui Zhang , Qitian Wu , Yu Wang , Shaofeng Zhang , Junchi Yan , Philip S. Yu

The design of genome-scale constraint-based metabolic networks has steadily advanced, with an increasing number of successful cases achieving growth-coupled production, in which the biosynthesis of key metabolites is linked to cell growth.…

Molecular Networks · Quantitative Biology 2026-05-19 Yier Ma , Takeyuki Tamura

Although graph neural networks (GNNs) have achieved impressive achievements in graph classification, they often need abundant task-specific labels, which could be extensively costly to acquire. A credible solution is to explore additional…

Machine Learning · Computer Science 2025-07-15 Nan Yin , Li Shen , Mengzhu Wang , Long Lan , Zeyu Ma , Chong Chen , Xian-Sheng Hua , Xiao Luo

Large-scale foundation models, such as CLIP, have demonstrated remarkable success in visual recognition tasks by embedding images in a semantically rich space. Self-supervised learning (SSL) has also shown promise in improving visual…

Computer Vision and Pattern Recognition · Computer Science 2023-08-23 Mainak Singha , Ankit Jha , Biplab Banerjee

We study a competitive facility location problem, where customer behavior is modeled and predicted using a discrete choice random utility model. The goal is to strategically place new facilities to maximize the overall captured customer…

Optimization and Control · Mathematics 2024-12-24 Cuong Le , Tien Mai , Ngan Ha Duong , Minh Hoang Ha

Jeroslow and Lowe gave an exact geometric characterization of subsets of $\mathbb{R}^n$ that are projections of mixed-integer linear sets, also known as MILP-representable or MILP-R sets. We give an alternate algebraic characterization by…

Optimization and Control · Mathematics 2017-11-21 Amitabh Basu , Kipp Martin , Christopher Thomas Ryan , Guanyi Wang

The analysis of infeasible subproblems plays an import role in solving mixed integer programs (MIPs) and is implemented in most major MIP solvers. There are two fundamentally different concepts to generate valid global constraints from…

Optimization and Control · Mathematics 2016-11-24 Jakob Witzig , Timo Berthold , Stefan Heinz

We propose an ML-based model that automates and expedites the solution of MIPs by predicting the values of variables. Our approach is motivated by the observation that many problem instances share salient features and solution structures…

Optimization and Control · Mathematics 2023-02-24 Konstantinos Benidis , Ugo Rosolia , Syama Rangapuram , George Iosifidis , Georgios Paschos

Mixed integer linear programming (MILP) solvers expose hundreds of parameters that have an outsized impact on performance but are difficult to configure for all but expert users. Existing machine learning (ML) approaches require training on…

Machine Learning · Computer Science 2025-09-25 Connor Lawless , Yingxi Li , Anders Wikum , Madeleine Udell , Ellen Vitercik

We study the continuous set covering problem on networks and propose several new MILP formulations and valid inequalities. In contrast to state-of-the-art formulations, the new formulations only use edges to index installed points, and the…

Optimization and Control · Mathematics 2024-04-17 Liding Xu , Claudia D'Ambrosio

Optimal planning with respect to learned neural network (NN) models in continuous action and state spaces using mixed-integer linear programming (MILP) is a challenging task for branch-and-bound solvers due to the poor linear relaxation of…

Artificial Intelligence · Computer Science 2019-07-29 Buser Say , Scott Sanner , Sylvie Thiébaux