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Black-box global optimization aims at minimizing an objective function whose analytical form is not known. To do so, many state-of-the-art methods rely on sampling-based strategies, where sampling distributions are built in an iterative…

Optimization and Control · Mathematics 2024-09-30 Thomas Guilmeau , Emilie Chouzenoux , Víctor Elvira

Hyperparameter optimization (HPO) is an important step in machine learning (ML) model development, but common practices are archaic -- primarily relying on manual or grid searches. This is partly because adopting advanced HPO algorithms…

Machine Learning · Computer Science 2024-02-08 Sungduk Yu , Mike Pritchard , Po-Lun Ma , Balwinder Singh , Sam Silva

We demonstrate that multipoint Bayesian algorithm execution can overcome fundamental computational challenges in storage ring design optimization. Dynamic (DA) and momentum (MA) optimization is a multipoint, multiobjective design task for…

Accelerator Physics · Physics 2025-11-25 Z. Zhang , I. Agapov , S. Gasiorowski , T. Hellert , W. Neiswanger , X. Huang , D. Ratner

Multiobjective optimization problems (MOPs) are prevalent in machine learning, with applications in multi-task learning, learning under fairness or robustness constraints, etc. Instead of reducing multiple objective functions into a scalar…

Mathematical Software · Computer Science 2024-10-14 Xiaoyuan Zhang , Liang Zhao , Yingying Yu , Xi Lin , Yifan Chen , Han Zhao , Qingfu Zhang

Mapping is essential in robotics and autonomous systems because it provides the spatial foundation for path planning. Efficient mapping enables planning algorithms to generate reliable paths while ensuring safety and adapting in real time…

Robotics · Computer Science 2026-05-22 Yihui Mao , Tian Tan , Xuehui Shen , Warren E. Dixon , Rushikesh Kamalapurkar

Machine learning has achieved remarkable success over the past couple of decades, often attributed to a combination of algorithmic innovations and the availability of high-quality data available at scale. However, a third critical component…

We consider the problem of constrained multi-objective (MO) blackbox optimization using expensive function evaluations, where the goal is to approximate the true Pareto set of solutions satisfying a set of constraints while minimizing the…

Machine Learning · Computer Science 2020-09-02 Syrine Belakaria , Aryan Deshwal , Janardhan Rao Doppa

Most of the machine learning models have associated hyper-parameters along with their parameters. While the algorithm gives the solution for parameters, its utility for model performance is highly dependent on the choice of hyperparameters.…

Machine Learning · Computer Science 2022-01-19 Shashank Shekhar , Adesh Bansode , Asif Salim

In optimal experimental design, the objective is to select a limited set of experiments that maximizes information about unknown model parameters based on factor levels. This work addresses the generalized D-optimal design problem, allowing…

Data Structures and Algorithms · Computer Science 2024-11-05 Aditya Pillai , Gabriel Ponte , Marcia Fampa , Jon Lee , and Mohit Singh , Weijun Xie

Decision diagrams (DDs) have emerged as a state-of-the-art method for exact multiobjective integer linear programming. When the DD is too large to fit into memory or the decision-maker prefers a fast approximation to the Pareto frontier,…

Artificial Intelligence · Computer Science 2026-03-20 Rahul Patel , Elias B. Khalil , David Bergman

Search heuristics, particularly those that are evaluation-driven (e.g., evolutionary computation), are often performed in simulation, enabling exploration of large solution spaces. Yet simulation may not truly replicate real-world…

Software Engineering · Computer Science 2020-08-06 Erik M. Fredericks , Jared M. Moore

Approximate computing is being considered as a promising design paradigm to overcome the energy and performance challenges in computationally demanding applications. If the case where the accuracy can be configured, the quality level versus…

Machine Learning · Computer Science 2019-01-07 Shayan Tabatabaei Nikkhah , Mehdi Kamal , Ali Afzali-Kusha , Massoud Pedram

Sampling one or more effective solutions from large search spaces is a recurring idea in machine learning, and sequential optimization has become a popular solution. Typical examples include data summarization, sample mining for predictive…

Metaheuristic search methods have proven to be essential tools for tackling complex optimization challenges, but their full potential is often constrained by conventional algorithmic frameworks. In this paper, we introduce a novel approach…

Artificial Intelligence · Computer Science 2024-10-23 Abdel-Rahman Hedar , Alaa E. Abdel-Hakim , Wael Deabes , Youseef Alotaibi , Kheir Eddine Bouazza

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

Prediction+optimization is a common real-world paradigm where we have to predict problem parameters before solving the optimization problem. However, the criteria by which the prediction model is trained are often inconsistent with the goal…

Machine Learning · Computer Science 2021-11-23 Kai Yan , Jie Yan , Chuan Luo , Liting Chen , Qingwei Lin , Dongmei Zhang

Applying Bayesian optimization in problems wherein the search space is unknown is challenging. To address this problem, we propose a systematic volume expansion strategy for the Bayesian optimization. We devise a strategy to guarantee that…

Machine Learning · Statistics 2019-10-30 Huong Ha , Santu Rana , Sunil Gupta , Thanh Nguyen , Hung Tran-The , Svetha Venkatesh

Projection algorithms such as t-SNE or UMAP are useful for the visualization of high dimensional data, but depend on hyperparameters which must be tuned carefully. Unfortunately, iteratively recomputing projections to find the optimal…

Machine Learning · Computer Science 2021-06-28 Gabriel Appleby , Mateus Espadoto , Rui Chen , Samuel Goree , Alexandru Telea , Erik W Anderson , Remco Chang

Molecular discovery is a multi-objective optimization problem that requires identifying a molecule or set of molecules that balance multiple, often competing, properties. Multi-objective molecular design is commonly addressed by combining…

Quantitative Methods · Quantitative Biology 2023-10-17 Jenna C. Fromer , Connor W. Coley

In this paper, we consider black-box multiobjective optimization problems in which all objective functions are not given analytically. In multiobjective optimization, it is important to produce a set of uniformly distributed discrete…

Optimization and Control · Mathematics 2022-02-11 Kwang-Hui Ju , Ju-Song Kim