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We consider the problem of multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions while minimizing the number of function evaluations. For example,…

Machine Learning · Computer Science 2022-04-13 Syrine Belakaria , Aryan Deshwal , Nitthilan Kannappan Jayakodi , Janardhan Rao Doppa

Many real-world problems can be phrased as a multi-objective optimization problem, where the goal is to identify the best set of compromises between the competing objectives. Multi-objective Bayesian optimization (BO) is a sample efficient…

Machine Learning · Computer Science 2022-10-07 Ben Tu , Axel Gandy , Nikolas Kantas , Behrang Shafei

Bayesian optimization (BO) is a popular approach for sample-efficient optimization of black-box objective functions. While BO has been successfully applied to a wide range of scientific applications, traditional approaches to…

Machine Learning · Computer Science 2023-05-04 Natalie Maus , Kaiwen Wu , David Eriksson , Jacob Gardner

Machine learning methods have been used to accelerate the molecule optimization process. However, efficient search for optimized molecules satisfying several properties with scarce labeled data remains a challenge for machine learning…

Biomolecules · Quantitative Biology 2022-12-20 Xin Xia , Yansen Su , Chunhou Zheng , Xiangxiang Zeng

Empirical evaluation in multi-objective search (MOS) has historically suffered from fragmentation, relying on heterogeneous problem instances with incompatible objective definitions that make cross-study comparisons difficult. This…

Artificial Intelligence · Computer Science 2026-03-26 Hadar Peer , Carlos Hernandez , Sven Koenig , Ariel Felner , Oren Salzman

Constraint Optimization Problems (COP) pose intricate challenges in combinatorial problems usually addressed through Branch and Bound (B\&B) methods, which involve maintaining priority queues and iteratively selecting branches to search for…

Artificial Intelligence · Computer Science 2023-12-27 Yingkai Xiao , Jingjin Liu , Hankz Hankui Zhuo

Multi-objective optimization problems whose objectives have different evaluation costs are commonly seen in the real world. Such problems are now known as multi-objective optimization problems with heterogeneous objectives (HE-MOPs). So…

Neural and Evolutionary Computing · Computer Science 2022-08-26 Xilu Wang , Yaochu Jin , Sebastian Schmitt , Markus Olhofer

Manipulation in confined and cluttered environments remains a significant challenge due to partial observability and complex configuration spaces. Effective manipulation in such environments requires an intelligent exploration strategy to…

Robotics · Computer Science 2026-05-20 Qixuan Li , Chen Le , Dongyue Huang , Jincheng Yu , Xinlei Chen

In this paper, we propose a variable metric method for unconstrained multiobjective optimization problems (MOPs). First, a sequence of points is generated using different positive definite matrices in the generic framework. It is proved…

Optimization and Control · Mathematics 2022-07-18 Jian Chen , Gaoxi Li , Xinmin Yang

We consider the problem of black-box multi-objective optimization (MOO) using expensive function evaluations (also referred to as experiments), where the goal is to approximate the true Pareto set of solutions by minimizing the total…

Machine Learning · Computer Science 2021-11-05 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Recent advances in computationally efficient non-myopic Bayesian optimization (BO) improve query efficiency over traditional myopic methods like expected improvement while only modestly increasing computational cost. These advances have…

Machine Learning · Statistics 2021-12-07 Yunxiang Zhang , Xiangyu Zhang , Peter I. Frazier

Molecular optimization, which aims to discover improved molecules from a vast chemical search space, is a critical step in chemical development. Various artificial intelligence technologies have demonstrated high effectiveness and…

Chemical Physics · Physics 2024-11-26 Xin Xia , Yajie Zhang , Xiangxiang Zeng , Xingyi Zhang , Chunhou Zheng , Yansen Su

Robots have the potential to perform search for a variety of applications under different scenarios. Our work is motivated by humanitarian assistant and disaster relief (HADR) where often it is critical to find signs of life in the presence…

In visual Reinforcement Learning (RL), learning from pixel-based observations poses significant challenges on sample efficiency, primarily due to the complexity of extracting informative state representations from high-dimensional data.…

Computer Vision and Pattern Recognition · Computer Science 2024-09-05 Jiarui Sun , M. Ugur Akcal , Wei Zhang , Girish Chowdhary

We present a review that unifies decision-support methods for exploring the solutions produced by multi-objective optimization (MOO) algorithms. As MOO is applied to solve diverse problems, approaches for analyzing the trade-offs offered by…

Artificial Intelligence · Computer Science 2023-11-21 Zuzanna Osika , Jazmin Zatarain Salazar , Diederik M. Roijers , Frans A. Oliehoek , Pradeep K. Murukannaiah

This work proposes the integration of two new constraint-handling approaches into the blackbox constrained multiobjective optimization algorithm DMulti-MADS, an extension of the Mesh Adaptive Direct Search (MADS) algorithm for…

Optimization and Control · Mathematics 2022-04-05 Jean Bigeon , Sébastien Le Digabel , Ludovic Salomon

Variable selection is recognized as one of the most critical steps in statistical modeling. The problems encountered in engineering and social sciences are commonly characterized by over-abundance of explanatory variables, non-linearities…

Computation · Statistics 2016-07-14 Ankur Sinha , Pekka Malo , Timo Kuosmanen

We propose a novel application of the Simultaneous Orthogonal Matching Pursuit (S-OMP) procedure for sparsistant variable selection in ultra-high dimensional multi-task regression problems. Screening of variables, as introduced in…

Machine Learning · Statistics 2010-12-20 Mladen Kolar , Eric P. Xing

We revisit the optimization from samples (OPS) model, which studies the problem of optimizing objective functions directly from the sample data. Previous results showed that we cannot obtain a constant approximation ratio for the maximum…

Machine Learning · Computer Science 2020-07-07 Wei Chen , Xiaoming Sun , Jialin Zhang , Zhijie Zhang

Multi-objective combinatorial optimization (MOCO) problems are prevalent in various real-world applications. Most existing neural MOCO methods rely on problem decomposition to transform an MOCO problem into a series of singe-objective…

Machine Learning · Computer Science 2025-01-28 Yongfan Lu , Zixiang Di , Bingdong Li , Shengcai Liu , Hong Qian , Peng Yang , Ke Tang , Aimin Zhou