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Machine Learning Interatomic Potentials (MLIP) are a novel in silico approach for molecular property prediction, creating an alternative to disrupt the accuracy/speed trade-off of empirical force fields and density functional theory (DFT).…

Deep generative models are proficient in generating realistic data but struggle with producing rare samples in low density regions due to their scarcity of training datasets and the mode collapse problem. While recent methods aim to improve…

Computer Vision and Pattern Recognition · Computer Science 2025-01-08 Subeen Lee , Jiyeon Han , Soyeon Kim , Jaesik Choi

Biclustering techniques have been widely used to identify homogeneous subgroups within large data matrices, such as subsets of genes similarly expressed across subsets of patients. Mining a max-sum sub-matrix is a related but distinct…

Machine Learning · Statistics 2017-09-26 Vincent Branders , Pierre Schaus , Pierre Dupont

The Multiple Instance Learning (MIL) paradigm is attracting plenty of attention in medical imaging classification, where labeled data is scarce. MIL methods cast medical images as bags of instances (e.g. patches in whole slide images, or…

Computer Vision and Pattern Recognition · Computer Science 2025-07-22 Francisco M. Castro-Macías , Pablo Morales-Álvarez , Yunan Wu , Rafael Molina , Aggelos K. Katsaggelos

Deep learning models show promise in digital pathology, but their opaque decision-making processes limit trust and clinical adoption. To address this challenge, we present HIPPO, an explainable AI method for analyzing weakly-supervised…

Tissues and Organs · Quantitative Biology 2025-12-10 Jakub R. Kaczmarzyk , Chanwoo Kim , Soham Gadgil , Deepika Savant , Zhen Zhao , Joel H. Saltz , Su-In Lee , Peter K. Koo

This paper addresses the problem of tightening the mixed-integer linear programming (MILP) formulation for continuous piecewise linear (CPWL) approximations of data sets in arbitrary dimensions. The MILP formulation leverages the…

Optimization and Control · Mathematics 2026-01-08 Quentin Ploussard , Xiang Li , Matija Pavičević

Multiple instance learning (MIL) is an effective and widely used approach for weakly supervised machine learning. In histopathology, MIL models have achieved remarkable success in tasks like tumor detection, biomarker prediction, and…

With the growth of complexity and extent, large scale interconnected network systems, e.g. transportation networks or infrastructure networks, become more vulnerable towards external disruptions. Hence, managing potential disruptive events…

Systems and Control · Electrical Eng. & Systems 2022-09-29 Jiaxin Wu , Pingfeng Wang

We present our submission for the configuration task of the Machine Learning for Combinatorial Optimization (ML4CO) NeurIPS 2021 competition. The configuration task is to predict a good configuration of the open-source solver SCIP to solve…

Machine Learning · Computer Science 2022-02-11 Romeo Valentin , Claudio Ferrari , Jérémy Scheurer , Andisheh Amrollahi , Chris Wendler , Max B. Paulus

We consider a discrete optimization formulation for learning sparse classifiers, where the outcome depends upon a linear combination of a small subset of features. Recent work has shown that mixed integer programming (MIP) can be used to…

Machine Learning · Statistics 2021-06-08 Antoine Dedieu , Hussein Hazimeh , Rahul Mazumder

With the rapid development of facial manipulation techniques, face forgery has received considerable attention in multimedia and computer vision community due to security concerns. Existing methods are mostly designed for single-frame…

Computer Vision and Pattern Recognition · Computer Science 2020-08-12 Xiaodan Li , Yining Lang , Yuefeng Chen , Xiaofeng Mao , Yuan He , Shuhui Wang , Hui Xue , Quan Lu

Multiple Instance Learning is the predominant method for Whole Slide Image classification in digital pathology, enabling the use of slide-level labels to supervise model training. Although MIL eliminates the tedious fine-grained annotation…

Computer Vision and Pattern Recognition · Computer Science 2025-05-28 Chen Shu , Boyu Fu , Yiman Li , Ting Yin , Wenchuan Zhang , Jie Chen , Yuhao Yi , Hong Bu

Maintaining instantaneous balance between electricity supply and demand is critical for reliability and grid instability. System operators achieve this through solving the task of Unit Commitment (UC),ca high dimensional large-scale…

Systems and Control · Electrical Eng. & Systems 2026-04-24 Muhy Eddin Za'ter , Anna Van Boven , Bri-Mathias Hodge , Kyri Baker

Graph matching is an important problem that has received widespread attention, especially in the field of computer vision. Recently, state-of-the-art methods seek to incorporate graph matching with deep learning. However, there is no…

Computer Vision and Pattern Recognition · Computer Science 2024-07-08 Zhoubo Xu , Puqing Chen , Romain Raveaux , Xin Yang , Huadong Liu

Combinatorial optimization (CO) problems, central to operation research and theoretical computer science, present significant computational challenges due to their NP-hard nature. While large language models (LLMs) have emerged as promising…

Machine Learning · Computer Science 2025-06-16 Xijun Li , Jiexiang Yang , Jinghao Wang , Bo Peng , Jianguo Yao , Haibing Guan

Multiple instance learning (MIL) has been increasingly used in the classification of histopathology whole slide images (WSIs). However, MIL approaches for this specific classification problem still face unique challenges, particularly those…

Computer Vision and Pattern Recognition · Computer Science 2022-03-24 Hongrun Zhang , Yanda Meng , Yitian Zhao , Yihong Qiao , Xiaoyun Yang , Sarah E. Coupland , Yalin Zheng

Multi-Instance Learning(MIL) aims to learn the mapping between a bag of instances and the bag-level label. Therefore, the relationships among instances are very important for learning the mapping. In this paper, we propose an MIL algorithm…

Machine Learning · Computer Science 2021-02-04 Yangling Ma , Zhouwang Yang

Machine learning components commonly appear in larger decision-making pipelines; however, the model training process typically focuses only on a loss that measures accuracy between predicted values and ground truth values. Decision-focused…

Machine Learning · Computer Science 2019-07-19 Aaron Ferber , Bryan Wilder , Bistra Dilkina , Milind Tambe

This paper introduces two decomposition-based methods for two-block mixed-integer linear programs (MILPs), which aim to take advantage of separable structures of the original problem by solving a sequence of lower-dimensional MILPs. The…

Optimization and Control · Mathematics 2024-01-03 Kaizhao Sun , Mou Sun , Wotao Yin

Multiple Instance Learning (MIL) is a sub-domain of classification problems with positive and negative labels and a "bag" of inputs, where the label is positive if and only if a positive element is contained within the bag, and otherwise is…

Machine Learning · Statistics 2023-10-30 Edward Raff , James Holt