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Surrogate-assisted Evolutionary Algorithms~(SAEAs) have shown promising robustness in solving expensive optimization problems. A key aspect that impacts SAEAs' effectiveness is surrogate model selection, which in existing works is…

Neural and Evolutionary Computing · Computer Science 2026-02-03 Yuxin Wu , Hongshu Guo , Ting Huang , Yue-Jiao Gong , Zeyuan Ma

Indecipherable black boxes are common in machine learning (ML), but applications increasingly require explainable artificial intelligence (XAI). The core of XAI is to establish transparent and interpretable data-driven algorithms. This work…

Optimization and Control · Mathematics 2023-06-13 Howard Heaton , Samy Wu Fung

Offline optimization aims to maximize a black-box objective function with a static dataset and has wide applications. In addition to the objective function being black-box and expensive to evaluate, numerous complex real-world problems…

Machine Learning · Computer Science 2024-06-07 Ke Xue , Rong-Xi Tan , Xiaobin Huang , Chao Qian

We employ an evolutionary optimization framework that perturbs initial states to generate informative and diverse policy demonstrations. A joint surrogate fitness function guides the optimization by combining local diversity, behavioral…

Machine Learning · Computer Science 2025-04-22 Philipp Altmann , Céline Davignon , Maximilian Zorn , Fabian Ritz , Claudia Linnhoff-Popien , Thomas Gabor

In this paper, a new sequential surrogate-based optimization (SSBO) algorithm is developed, which aims to improve the global search ability and local search efficiency for the global optimization of expensive black-box models. The proposed…

Machine Learning · Statistics 2018-11-30 Chunlin Gong , Xu Li , Hua Su , Jinlei Guo , Liangxian Gu

This paper presents a methodological framework for training, self-optimising, and self-organising surrogate models to approximate and speed up multiobjective optimisation of technical systems based on multiphysics simulations. At the hand…

Machine Learning · Computer Science 2024-04-04 Diego Botache , Jens Decke , Winfried Ripken , Abhinay Dornipati , Franz Götz-Hahn , Mohamed Ayeb , Bernhard Sick

Offline design optimization problem arises in numerous science and engineering applications including material and chemical design, where expensive online experimentation necessitates the use of in silico surrogate functions to predict and…

Machine Learning · Computer Science 2025-03-05 Minh Hoang , Azza Fadhel , Aryan Deshwal , Janardhan Rao Doppa , Trong Nghia Hoang

Efficient Global Optimization (EGO) is the canonical form of Bayesian optimization that has been successfully applied to solve global optimization of expensive-to-evaluate black-box problems. However, EGO struggles to scale with dimension,…

Optimization and Control · Mathematics 2022-04-26 Youssef Diouane , Victor Picheny , Rodolphe Le Riche , Alexandre Scotto Di Perrotolo

Black box models in machine learning have demonstrated excellent predictive performance in complex problems and high-dimensional settings. However, their lack of transparency and interpretability restrict the applicability of such models in…

Machine Learning · Computer Science 2020-06-09 Numair Sani , Jaron Lee , Razieh Nabi , Ilya Shpitser

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

Optimizing black-box functions is a fundamental problem in science and engineering. To solve this problem, many approaches learn a surrogate function that estimates the underlying objective from limited historical evaluations. Large…

Machine Learning · Computer Science 2025-10-23 Tung Nguyen , Aditya Grover

Unlike classical lexical overlap metrics such as BLEU, most current evaluation metrics (such as BERTScore or MoverScore) are based on black-box language models such as BERT or XLM-R. They often achieve strong correlations with human…

Computation and Language · Computer Science 2022-03-22 Christoph Leiter , Piyawat Lertvittayakumjorn , Marina Fomicheva , Wei Zhao , Yang Gao , Steffen Eger

Compared to "black-box" models, like random forests and deep neural networks, explainable boosting machines (EBMs) are considered "glass-box" models that can be competitively accurate while also maintaining a higher degree of transparency…

Machine Learning · Statistics 2023-11-14 Brandon M. Greenwell , Annika Dahlmann , Saurabh Dhoble

Optimization of LLM training and inference configurations, such as hyperparameters, data mixtures, and prompts, is critical to performance, but it is often approached heuristically in practice, leading to potentially suboptimal outcomes. By…

Machine Learning · Computer Science 2026-05-19 Ruth Wan Theng Chew , Zhiliang Chen , Apivich Hemachandra , Bryan Kian Hsiang Low

Multi-objective optimization aims to solve problems with competing objectives. Evaluating such problems is often slow or expensive, limiting the budget of evaluations. In many applications, historical data from related optimization tasks is…

Machine Learning · Computer Science 2026-05-12 Leonard Papenmeier , Petru Tighineanu

Surrogate-Assisted Evolutionary Algorithms (SAEAs) are widely used for expensive Black-Box Optimization. However, their reliance on rigid, manually designed components such as infill criteria and evolutionary strategies during the search…

Neural and Evolutionary Computing · Computer Science 2025-11-20 Yukun Du , Haiyue Yu , Xiaotong Xie , Yan Zheng , Lixin Zhan , Yudong Du , Chongshuang Hu , Boxuan Wang , Jiang Jiang

BayesianOptimization(BO) is a sample-efficient black-box optimizer, and extensive methods have been proposed to build the absolute function response of the black-box function through a probabilistic surrogate model, including…

Machine Learning · Computer Science 2024-02-07 Xiaoxing Wang , Jiaxing Li , Chao Xue , Wei Liu , Weifeng Liu , Xiaokang Yang , Junchi Yan , Dacheng Tao

The rapid integration of artificial intelligence (AI) into various industries has introduced new challenges in governance and regulation, particularly regarding the understanding of complex AI systems. A critical demand from decision-makers…

Machine Learning · Computer Science 2024-11-08 Cristian Munoz , Kleyton da Costa , Bernardo Modenesi , Adriano Koshiyama

Many challenges in science and engineering, such as drug discovery and communication network design, involve optimizing complex and expensive black-box functions across vast search spaces. Thus, it is essential to leverage existing data to…

Machine Learning · Computer Science 2024-12-04 Juncheng Dong , Zihao Wu , Hamid Jafarkhani , Ali Pezeshki , Vahid Tarokh

Several fundamental problems in science and engineering consist of global optimization tasks involving unknown high-dimensional (black-box) functions that map a set of controllable variables to the outcomes of an expensive experiment.…

Machine Learning · Computer Science 2023-09-15 Mohamed Aziz Bhouri , Michael Joly , Robert Yu , Soumalya Sarkar , Paris Perdikaris