English
Related papers

Related papers: Cliqueformer: Model-Based Optimization with Struct…

200 papers

How should we intervene on an unknown structural equation model to maximize a downstream variable of interest? This setting, also known as causal Bayesian optimization (CBO), has important applications in medicine, ecology, and…

Machine Learning · Computer Science 2023-03-13 Scott Sussex , Anastasiia Makarova , Andreas Krause

Offline optimization is a fundamental challenge in science and engineering, where the goal is to optimize black-box functions using only offline datasets. This setting is particularly relevant when querying the objective function is…

Machine Learning · Computer Science 2026-01-07 Minsu Kim , Jiayao Gu , Ye Yuan , Taeyoung Yun , Zixuan Liu , Yoshua Bengio , Can Chen

We present mlrMBO, a flexible and comprehensive R toolbox for model-based optimization (MBO), also known as Bayesian optimization, which addresses the problem of expensive black-box optimization by approximating the given objective function…

Machine Learning · Statistics 2018-12-04 Bernd Bischl , Jakob Richter , Jakob Bossek , Daniel Horn , Janek Thomas , Michel Lang

Optimization of high-dimensional black-box functions is an extremely challenging problem. While Bayesian optimization has emerged as a popular approach for optimizing black-box functions, its applicability has been limited to…

Machine Learning · Statistics 2018-08-06 Zi Wang , Chengtao Li , Stefanie Jegelka , Pushmeet Kohli

Automatic Machine Learning (Auto-ML) systems tackle the problem of automating the design of prediction models or pipelines for data science. In this paper, we present Lifelong Bayesian Optimization (LBO), an online, multitask Bayesian…

Machine Learning · Statistics 2019-06-24 Yao Zhang , James Jordon , Ahmed M. Alaa , Mihaela van der Schaar

Knowledge Tracing (KT) models face a critical ``Performance-Complexity Trap'': capturing complex cognitive dynamics like learning sessions and memory decay typically requires deep hierarchical architectures, which incur prohibitive…

Artificial Intelligence · Computer Science 2025-12-09 Xiao-li Xia , Hou-biao Li

In this paper, we present DevFormer, a novel transformer-based architecture for addressing the complex and computationally demanding problem of hardware design optimization. Despite the demonstrated efficacy of transformers in domains…

Machine Learning · Computer Science 2023-06-08 Haeyeon Kim , Minsu Kim , Federico Berto , Joungho Kim , Jinkyoo Park

Bayesian Optimization (BO) has shown significant success in tackling expensive low-dimensional black-box optimization problems. Many optimization problems of interest are high-dimensional, and scaling BO to such settings remains an…

Machine Learning · Statistics 2022-06-02 Eric Han , Ishank Arora , Jonathan Scarlett

Transformers are effective and efficient at modeling complex relationships and learning patterns from structured data in many applications. The main aim of this paper is to propose and design NLAFormer, which is a transformer-based…

Numerical Analysis · Mathematics 2025-08-28 Zhantao Ma , Yihang Gao , Michael K. Ng

Data-driven black-box model-based optimization (MBO) problems arise in a great number of practical application scenarios, where the goal is to find a design over the whole space maximizing a black-box target function based on a static…

Machine Learning · Computer Science 2023-10-20 Mingcheng Chen , Haoran Zhao , Yuxiang Zhao , Hulei Fan , Hongqiao Gao , Yong Yu , Zheng Tian

Model predictive control (MPC) has established itself as the primary methodology for constrained control, enabling general-purpose robot autonomy in diverse real-world scenarios. However, for most problems of interest, MPC relies on the…

We study offline black-box optimization (BBO), aiming to discover improved designs from an offline dataset of designs and labels, a problem common in robotics, DNA, and materials science with limited labeled samples. While recent work…

Computational Engineering, Finance, and Science · Computer Science 2026-05-26 Zipeng Sun , Can Chen , Ye Yuan , Haolun Wu , Jiayao Gu , Christopher Pal , Xue Liu

When gradient-based methods are impractical, black-box optimization (BBO) provides a valuable alternative. However, BBO often struggles with high-dimensional problems and limited trial budgets. In this work, we propose a novel approach…

Systems and Control · Electrical Eng. & Systems 2025-10-03 Riccardo Busetto , Manas Mejari , Marco Forgione , Alberto Bemporad , Dario Piga

The CNN-based methods have achieved impressive results in medical image segmentation, but they failed to capture the long-range dependencies due to the inherent locality of the convolution operation. Transformer-based methods are recently…

Computer Vision and Pattern Recognition · Computer Science 2021-12-21 Xiaohong Huang , Zhifang Deng , Dandan Li , Xueguang Yuan

A wide spectrum of design and decision problems, including parameter tuning, A/B testing and drug design, intrinsically are instances of black-box optimization. Bayesian optimization (BO) is a powerful tool that models and optimizes such…

Machine Learning · Computer Science 2023-02-14 Tianyi Bai , Yang Li , Yu Shen , Xinyi Zhang , Wentao Zhang , Bin Cui

Online black-box optimization (BBO) aims to optimize an objective function by iteratively querying a black-box oracle in a sample-efficient way. While prior studies focus on forward approaches such as Gaussian Processes (GPs) to learn a…

Machine Learning · Computer Science 2025-02-04 Dongxia Wu , Nikki Lijing Kuang , Ruijia Niu , Yi-An Ma , Rose Yu

We introduce a surrogate-based black-box optimization method, termed Polynomial-model-based optimization (PMBO). The algorithm alternates polynomial approximation with Bayesian optimization steps, using Gaussian processes to model the error…

Optimization and Control · Mathematics 2024-03-13 Janina Schreiber , Pau Batlle , Damar Wicaksono , Michael Hecht

Black-box optimization (BBO) involves functions that are unknown, inexact and/or expensive-to-evaluate. Existing BBO algorithms face several challenges, including high computational cost from extensive evaluations, difficulty in handling…

Optimization and Control · Mathematics 2025-09-26 Zixuan Zhang , Xiaowei Song , Jiaming Li , Yujiao Zeng , Yaling Nie , Min Zhu , Dongyun Lu , Yibo Zhang , Xin Xiao , Jie Li

Topology optimization enables the design of highly efficient and complex structures, but conventional iterative methods, such as SIMP-based approaches, often suffer from high computational costs and sensitivity to initial conditions.…

Computational Engineering, Finance, and Science · Computer Science 2025-09-18 Aaron Lutheran , Srijan Das , Alireza Tabarraei

Modeling high-order feature interactions efficiently is a central challenge in click-through rate and conversion rate prediction. Modern industrial recommender systems are predominantly built upon deep learning recommendation models, where…

Information Retrieval · Computer Science 2026-02-13 Heng Yu , Xiangjun Zhou , Jie Xia , Heng Zhao , Anxin Wu , Yu Zhao , Dongying Kong