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Multi-objective optimization (MOO) aims to optimize multiple, possibly conflicting objectives with widespread applications. We introduce a novel interacting particle method for MOO inspired by molecular dynamics simulations. Our approach…

Machine Learning · Computer Science 2024-11-22 Yinuo Ren , Tesi Xiao , Tanmay Gangwani , Anshuka Rangi , Holakou Rahmanian , Lexing Ying , Subhajit Sanyal

Offline model-based optimization (MBO) aims to maximize a black-box objective function using only an offline dataset of designs and scores. These tasks span various domains, such as robotics, material design, and protein and molecular…

Machine Learning · Computer Science 2025-04-18 Ye Yuan , Youyuan Zhang , Can Chen , Haolun Wu , Zixuan Li , Jianmo Li , James J. Clark , Xue Liu

Multi-objective Bayesian optimization (MOBO) provides a principled framework for optimizing expensive black-box functions with multiple objectives. However, existing MOBO methods often struggle with coverage, scalability with respect to the…

Machine Learning · Computer Science 2026-04-20 Yaohong Yang , Sammie Katt , Samuel Kaski

Ports, warehouses and courier services have to decide online how an arriving task is to be served in order that cost is minimized (or profit maximized). These operators have a wealth of historical data on task assignments; can these data be…

Data Structures and Algorithms · Computer Science 2007-05-23 Jason W. H. Lee , Y. C. Tay , Anthony K. H. Tung

This paper considers the problem of offline optimization, where the objective function is unknown except for a collection of ``offline" data examples. While recent years have seen a flurry of work on applying various machine learning…

Machine Learning · Computer Science 2024-01-05 Qiang Zhang , Ruida Zhou , Yang Shen , Tie Liu

Data-driven evolutionary multi-objective optimization (EMO) has been recognized as an effective approach for multi-objective optimization problems with expensive objective functions. The current research is mainly developed for problems…

Neural and Evolutionary Computing · Computer Science 2022-05-31 Renzhi Chen , Ke Li

Developing efficient multi-objective optimization methods to compute the Pareto set of optimal compromises between conflicting objectives remains a key challenge, especially for large-scale and expensive problems. To bridge this gap, we…

Machine Learning · Computer Science 2026-02-05 Sedjro Salomon Hotegni , Sebastian Peitz

Offline Reinforcement Learning (RL) aims to learn a near-optimal policy from a fixed dataset of transitions collected by another policy. This problem has attracted a lot of attention recently, but most existing methods with strong…

Machine Learning · Computer Science 2023-05-23 Germano Gabbianelli , Gergely Neu , Nneka Okolo , Matteo Papini

The goal of offline model-based optimization (MBO) is to propose new designs that maximize a reward function given only an offline dataset. However, an important desiderata is to also propose a diverse set of final candidates that capture…

Machine Learning · Computer Science 2025-05-02 Michael S. Yao , James C. Gee , Osbert Bastani

Large-scale multi-objective optimization poses challenges to existing evolutionary algorithms in maintaining the performances of convergence and diversity because of high dimensional decision variables. Inspired by the motion of particles…

Neural and Evolutionary Computing · Computer Science 2025-09-22 Jia-Cheng Li , Min-Rong Chen , Guo-Qiang Zeng , Jian Weng , Man Wang , Jia-Lin Mai

Deep learning models, even the-state-of-the-art ones, are highly vulnerable to adversarial examples. Adversarial training is one of the most efficient methods to improve the model's robustness. The key factor for the success of adversarial…

Machine Learning · Computer Science 2023-06-05 Anh Bui , Trung Le , He Zhao , Quan Tran , Paul Montague , Dinh Phung

Stochastic Multi-Objective Optimization (SMOO) is critical for decision-making trading off multiple potentially conflicting objectives in uncertain environments. SMOO aims at identifying the Pareto frontier, which contains all mutually…

Machine Learning · Computer Science 2026-04-02 Jinzhao Li , Nan Jiang , Yexiang Xue

Multiple-objective optimization (MOO) aims to simultaneously optimize multiple conflicting objectives and has found important applications in machine learning, such as minimizing classification loss and discrepancy in treating different…

Machine Learning · Computer Science 2022-09-16 Eric Enouen , Katja Mathesius , Sean Wang , Arielle Carr , Sihong Xie

We consider the problem of multi-objective optimization (MOO) of expensive black-box functions with the goal of discovering high-quality and diverse Pareto fronts where we are allowed to evaluate a batch of inputs. This problem arises in…

Machine Learning · Computer Science 2024-06-14 Alaleh Ahmadianshalchi , Syrine Belakaria , Janardhan Rao Doppa

Generative models, especially diffusion and flow-based models, have been promising in offline multi-agent reinforcement learning. However, integrating powerful generative models into this framework poses unique challenges. In particular,…

Machine Learning · Computer Science 2026-03-02 Zhuoran Li , Xun Wang , Hai Zhong , Qingxin Xia , Lihua Zhang , Longbo Huang

Multi-task learning (MTL), which aims to improve performance by learning multiple tasks simultaneously, inherently presents an optimization challenge due to multiple objectives. Hence, multi-objective optimization (MOO) approaches have been…

Artificial Intelligence · Computer Science 2021-10-08 Simyung Chang , KiYoon Yoo , Jiho Jang , Nojun Kwak

Optimizing complex systems, from discovering therapeutic drugs to designing high-performance materials, remains a fundamental challenge across science and engineering, as the underlying rules are often unknown and costly to evaluate.…

Machine Learning · Computer Science 2026-01-13 Tailin Zhou , Zhilin Chen , Wenlong Lyu , Zhitang Chen , Danny H. K. Tsang , Jun Zhang

Many recent caching systems aim to improve miss ratios, but there is no good sense among practitioners of how much further miss ratios can be improved. In other words, should the systems community continue working on this problem?…

Performance · Computer Science 2018-07-09 Daniel S. Berger , Nathan Beckmann , Mor Harchol-Balter

Multi-Objective Optimization (MOO) techniques have become increasingly popular in recent years due to their potential for solving real-world problems in various fields, such as logistics, finance, environmental management, and engineering.…

Neural and Evolutionary Computing · Computer Science 2024-07-15 Noor A. Rashed , Yossra H. Ali , Tarik A. Rashid , A. Salih

Group Relative Policy Optimization (GRPO) is a powerful technique for aligning generative models, but its effectiveness is bottlenecked by the conflict between large group sizes and prohibitive computational costs. In this work, we…

Computer Vision and Pattern Recognition · Computer Science 2025-12-18 Shiran Ge , Chenyi Huang , Yuang Ai , Qihang Fan , Huaibo Huang , Ran He