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The growing popularity of generative flow networks (GFlowNets or GFNs) from a range of researchers with diverse backgrounds and areas of expertise necessitates a library that facilitates the testing of new features (e.g., training losses…

Machine Learning · Computer Science 2026-03-23 Joseph D. Viviano , Omar G. Younis , Sanghyeok Choi , Victor Schmidt , Yoshua Bengio , Salem Lahlou

Numerous real-world applications of uncertain multiobjective optimization problems (UMOPs) can be found in science, engineering, business, and management. To handle the solution of uncertain optimization problems, robust optimization is a…

Optimization and Control · Mathematics 2025-03-11 Shubham Kumar , Nihar Kumar Mahatoa , Debdas Ghosh

Molecular generation, an essential method for identifying new drug structures, has been supported by advancements in machine learning and computational technology. However, challenges remain in multi-objective generation, model…

Biomolecules · Quantitative Biology 2024-04-11 Ningfeng Liu , Jie Yu , Siyu Xiu , Xinfang Zhao , Siyu Lin , Bo Qiang , Ruqiu Zheng , Hongwei Jin , Liangren Zhang , Zhenming Liu

Color correction for underwater images has received increasing interests, due to its critical role in facilitating available mature vision algorithms for underwater scenarios. Inspired by the stunning success of deep convolutional neural…

Image and Video Processing · Electrical Eng. & Systems 2020-02-14 Xiaodong Liu , Zhi Gao , Ben M. Chen

Single-step retrosynthesis aims to predict a set of reactions that lead to the creation of a target molecule, which is a crucial task in molecular discovery. Although a target molecule can often be synthesized with multiple different…

Machine Learning · Computer Science 2025-04-15 Piotr Gaiński , Michał Koziarski , Krzysztof Maziarz , Marwin Segler , Jacek Tabor , Marek Śmieja

By contextualizing the kernel as global as possible, Modern ConvNets have shown great potential in computer vision tasks. However, recent progress on multi-order game-theoretic interaction within deep neural networks (DNNs) reveals the…

Computer Vision and Pattern Recognition · Computer Science 2025-06-17 Siyuan Li , Zedong Wang , Zicheng Liu , Cheng Tan , Haitao Lin , Di Wu , Zhiyuan Chen , Jiangbin Zheng , Stan Z. Li

A multiple objective simulation optimization algorithm named Multiple Objective Probabilistic Branch and Bound with Single Observation (MOPBnB(so)) is presented for approximating the Pareto optimal set and the associated efficient frontier…

Optimization and Control · Mathematics 2025-06-06 Hao Huang , Zelda B. Zabinsky

Reinforcement learning-based methods for constructing solutions to combinatorial optimization problems are rapidly approaching the performance of human-designed algorithms. To further narrow the gap, learning-based approaches must…

Machine Learning · Computer Science 2025-10-07 André Hottung , Mridul Mahajan , Kevin Tierney

Optimization problems involving mixed variables (i.e., variables of numerical and categorical nature) can be challenging to solve, especially in the presence of mixed-variable constraints. Moreover, when the objective function is the result…

Optimization and Control · Mathematics 2024-12-12 Mengjia Zhu , Alberto Bemporad

Low-energy molecular conformers generation (MCG) is a foundational yet challenging problem in drug discovery. Denoising-based methods include diffusion and flow-matching methods that learn mappings from a simple base distribution to the…

Machine Learning · Computer Science 2025-10-07 Xiangyang Xu , Hongyang Gao

In this work, we introduce MO-SeGMan, a Multi-Objective Sequential and Guided Manipulation planner for highly constrained rearrangement problems. MO-SeGMan generates object placement sequences that minimize both replanning per object and…

Robotics · Computer Science 2025-11-04 Cankut Bora Tuncer , Marc Toussaint , Ozgur S. Oguz

Large-scale multiobjective optimization problems (LSMOPs) are characterized as involving hundreds or even thousands of decision variables and multiple conflicting objectives. An excellent algorithm for solving LSMOPs should find…

Neural and Evolutionary Computing · Computer Science 2021-01-11 Zhenzhong Wang , Haokai Hong , Kai Ye , Min Jiang , Kay Chen Tan

In this work, we propose a novel method to tackle the problem of multiobjective optimization under parameteric uncertainties, by considering the Conditional Pareto Sets and Conditional Pareto Fronts. Based on those quantities we can define…

Optimization and Control · Mathematics 2026-01-15 Victor Trappler , Céline Helbert , Rodolphe Le Riche

This paper introduces a novel theoretical framework and a suite of highly efficient, parallelizable algorithms for solving the large-scale multicommodity flow (MCF) feasibility problem. We reframe the classical constraint-satisfaction…

Optimization and Control · Mathematics 2025-08-26 Pengfei Liu

Offline multi-objective optimization aims to identify Pareto-optimal solutions given a dataset of designs and their objective values. In this work, we propose a preference-guided diffusion model that generates Pareto-optimal designs by…

Machine Learning · Computer Science 2025-12-19 Yashas Annadani , Syrine Belakaria , Stefano Ermon , Stefan Bauer , Barbara E Engelhardt

Adversarial learning of probabilistic models has recently emerged as a promising alternative to maximum likelihood. Implicit models such as generative adversarial networks (GAN) often generate better samples compared to explicit models…

Machine Learning · Computer Science 2018-01-08 Aditya Grover , Manik Dhar , Stefano Ermon

Recent literature has demonstrated promising results for training Generative Adversarial Networks by employing a set of discriminators, in contrast to the traditional game involving one generator against a single adversary. Such methods…

Machine Learning · Computer Science 2019-01-28 Isabela Albuquerque , João Monteiro , Thang Doan , Breandan Considine , Tiago Falk , Ioannis Mitliagkas

Multiobjective optimization (MOO) is prevalent in numerous applications, in which a Pareto front (PF) is constructed to display optima under various preferences. Previous methods commonly utilize the set of Pareto objectives (particles on…

Machine Learning · Computer Science 2024-02-16 Xiaoyuan Zhang , Xi Lin , Yichi Zhang , Yifan Chen , Qingfu Zhang

The evolution of gene regulatory networks in variable environments poses Multi-objective Optimization Problem (MOP), where the expression levels of genes must be tuned to meet the demands of each environment. When formalized in the context…

Optimization and Control · Mathematics 2018-04-23 Philippe Nghe , Bela M. Mulder , Sander J. Tans

This paper presents a novel multi-fake evolutionary generative adversarial network(MFEGAN) for handling imbalance hyperspectral image classification. It is an end-to-end approach in which different generative objective losses are considered…

Image and Video Processing · Electrical Eng. & Systems 2024-09-04 Tanmoy Dam , Nidhi Swami , Sreenatha G. Anavatti , Hussein A. Abbass