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We present an analysis of landscape features for predicting the performance of multi-objective combinatorial optimization algorithms. We consider features from the recently proposed compressed Pareto Local Optimal Solutions Networks…

Neural and Evolutionary Computing · Computer Science 2025-07-03 Ana Nikolikj , Gabriela Ochoa , Tome Eftimov

We typically construct optimal designs based on a single objective function. To better capture the breadth of an experiment's goals, we could instead construct a multiple objective optimal design based on multiple objective functions. While…

Methodology · Statistics 2023-03-09 Lucy L. Gao , Jane J. Ye , Shangzhi Zeng , Julie Zhou

Molecular odor prediction has great potential across diverse fields such as chemistry, pharmaceuticals, and environmental science, enabling the rapid design of new materials and enhancing environmental monitoring. However, current methods…

Machine Learning · Computer Science 2025-02-04 HongXin Xie , JianDe Sun , Yi Shao , Shuai Li , Sujuan Hou , YuLong Sun , Yuxiang Liu

Multi-view clustering can explore common semantics from multiple views and has attracted increasing attention. However, existing works punish multiple objectives in the same feature space, where they ignore the conflict between learning…

Machine Learning · Computer Science 2022-03-28 Jie Xu , Huayi Tang , Yazhou Ren , Liang Peng , Xiaofeng Zhu , Lifang He

Multi-label classification (MLC) is a supervised learning problem in which, contrary to standard multiclass classification, an instance can be associated with several class labels simultaneously. In this chapter, we advocate a rule-based…

Machine Learning · Computer Science 2020-12-09 Eneldo Loza Mencía , Johannes Fürnkranz , Eyke Hüllermeier , Michael Rapp

Clustering is commonly performed as an initial analysis step for uncovering structure in 'omics datasets, e.g. to discover molecular subtypes of disease. The high-throughput, high-dimensional nature of these datasets means that they provide…

Methodology · Statistics 2023-03-02 Paul D. W. Kirk , Filippo Pagani , Sylvia Richardson

Feature attribution aims to explain the reasoning behind a black-box model's prediction by identifying the impact of each feature on the prediction. Recent work has extended feature attribution to interactions between multiple features.…

Machine Learning · Computer Science 2023-05-17 Yifan Jiang , Shane Steinert-Threlkeld

Understanding the relationships between objectives in a multiobjective optimisation problem is important for developing tailored and efficient solving techniques. In particular, when tackling combinatorial optimisation problems with many…

Neural and Evolutionary Computing · Computer Science 2025-10-02 Rodrigo Lankaites Pinheiro , Dario Landa-Silva , Jason Atkin

Electronic health records are an increasingly important resource for understanding the interactions between patient health, environment, and clinical decisions. In this paper we report an empirical study of predictive modeling of several…

Computers and Society · Computer Science 2019-03-29 William La Cava , Christopher Bauer , Jason H. Moore , Sarah A Pendergrass

The drug discovery stage is a vital aspect of the drug development process and forms part of the initial stages of the development pipeline. In recent times, machine learning-based methods are actively being used to model drug-target…

Machine Learning · Computer Science 2020-09-02 Brighter Agyemang , Wei-Ping Wu , Michael Yelpengne Kpiebaareh , Zhihua Lei , Ebenezer Nanor , Lei Chen

In order to design broadband extreme ultraviolet multilayers with many objectives, the multiobjective genetic algorithm and the multiobjective genetics algorithm with reference direction have been improved and combined used. The certain…

Optics · Physics 2020-08-17 Shang-qi Kuang , Xiao-wei Song , Jing-quan Lin

Training machine learning models inherently involves a resource-intensive and noisy iterative learning procedure that allows epoch-wise monitoring of the model performance. However, the insights gained from the iterative learning procedure…

Machine Learning · Computer Science 2025-05-22 Wenyu Wang , Zheyi Fan , Szu Hui Ng

The predict-then-optimize framework arises in a wide variety of applications where the unknown cost coefficients of an optimization problem are first predicted based on contextual features and then used to solve the problem. In this work,…

Optimization and Control · Mathematics 2023-05-02 Bo Tang , Elias B. Khalil

Predicting molecule-protein interactions (MPIs) is a fundamental task in computational biology, with crucial applications in drug discovery and molecular function annotation. However, existing MPI models face two major challenges. First,…

Machine Learning · Computer Science 2025-12-11 Jiayu Qin , Zhengquan Luo , Guy Tadmor , Changyou Chen , David Zeevi , Zhiqiang Xu

The rapid advancement and widespread adoption of machine learning-driven technologies have underscored the practical and ethical need for creating interpretable artificial intelligence systems. Feature importance, a method that assigns…

Machine Learning · Computer Science 2023-12-07 Nimrod Harel , Uri Obolski , Ran Gilad-Bachrach

In a standard multi-output classification scenario, both features and labels of training data are partially observed. This challenging issue is widely witnessed due to sensor or database failures, crowd-sourcing and noisy communication…

Machine Learning · Computer Science 2019-12-20 Giancarlo Fissore , Aurélien Decelle , Cyril Furtlehner , Yufei Han

In current perception systems applied to the rebuilding of the environment for intelligent vehicles, the part reserved to object association for the tracking is increasingly significant. This allows firstly to follow the objects temporal…

Artificial Intelligence · Computer Science 2013-01-30 Dominique Gruyer , Veronique Berge-Cherfaoui

Semi-supervised multi-label feature selection has recently been developed to solve the curse of dimensionality problem in high-dimensional multi-label data with certain samples missing labels. Although many efforts have been made, most…

Machine Learning · Computer Science 2025-10-10 Li Yang , Yanyong Huang , Dongjie Wang , Ke Li , Xiuwen Yi , Fengmao Lv , Tianrui Li

We present a new multi-objective optimization approach for synthesizing interpretations that "explain" the behavior of black-box machine learning models. Constructing human-understandable interpretations for black-box models often requires…

Machine Learning · Computer Science 2021-08-18 Hazem Torfah , Shetal Shah , Supratik Chakraborty , S. Akshay , Sanjit A. Seshia

In many applications, data can be heterogeneous in the sense of spanning latent groups with different underlying distributions. When predictive models are applied to such data the heterogeneity can affect both predictive performance and…

Machine Learning · Statistics 2022-05-04 Thomas Lartigue , Sach Mukherjee
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