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We consider the problem of minimizing a high-dimensional objective function, which may include a regularization term, using (possibly noisy) evaluations of the function. Such optimization is also called derivative-free, zeroth-order, or…

Optimization and Control · Mathematics 2023-03-20 HanQin Cai , Daniel Mckenzie , Wotao Yin , Zhenliang Zhang

Once an optimisation problem has been solved, the solution may need adaptation when contextual factors change. This challenge, also known as reoptimisation, has been addressed in various problem domains, such as railway crew rescheduling,…

Software Engineering · Computer Science 2025-10-03 Maximilian Kratz , Steffen Zschaler , Jens Kosiol , Gabriele Taentzer

We introduce COCO, an open source platform for Comparing Continuous Optimizers in a black-box setting. COCO aims at automatizing the tedious and repetitive task of benchmarking numerical optimization algorithms to the greatest possible…

Artificial Intelligence · Computer Science 2020-09-10 Nikolaus Hansen , Anne Auger , Raymond Ros , Olaf Mersmann , Tea Tušar , Dimo Brockhoff

Many science and engineering applications feature non-convex optimization problems where the objective function can not be handled analytically, i.e. it is a black box. Examples include design optimization via experiments, or via costly…

Optimization and Control · Mathematics 2022-02-18 Lorenzo Sabug , Fredy Ruiz , Lorenzo Fagiano

We propose an optimization algorithm for Variational Inference (VI) in complex models. Our approach relies on natural gradient updates where the variational space is a Riemann manifold. We develop an efficient algorithm for Gaussian…

Machine Learning · Statistics 2024-04-18 Martin Magris , Mostafa Shabani , Alexandros Iosifidis

Information Bottleneck (IB) is widely used, but in deep learning, it is usually implemented through tractable surrogates, such as variational bounds or neural mutual information (MI) estimators, rather than directly controlling the MI…

Machine Learning · Computer Science 2026-02-05 Weiqi Wang , Zhiyi Tian , Chenhan Zhang , Shui Yu

High-dimensional data with intrinsic low-dimensional structure is ubiquitous in machine learning and data science. While various approaches allow one to learn a data manifold with a Riemannian structure from finite samples, performing…

Optimization and Control · Mathematics 2026-05-07 Willem Diepeveen , Melanie Weber

Bayesian Optimization (BO) is a method for globally optimizing black-box functions. While BO has been successfully applied to many scenarios, developing effective BO algorithms that scale to functions with high-dimensional domains is still…

Machine Learning · Computer Science 2024-02-13 Yihang Shen , Carl Kingsford

We propose the geometry-informed neural operator (GINO), a highly efficient approach to learning the solution operator of large-scale partial differential equations with varying geometries. GINO uses a signed distance function and…

Information geometry and inductive inference methods can be used to model dynamical systems in terms of their probabilistic description on curved statistical manifolds. In this article, we present a formal conceptual reexamination of the…

Mathematical Physics · Physics 2010-11-29 C. Cafaro , A. Giffin , S. A. Ali , D. -H. Kim

First Order Bayesian Optimization (FOBO) is a sample efficient sequential approach to find the global maxima of an expensive-to-evaluate black-box objective function by suitably querying for the function and its gradient evaluations. Such…

Machine Learning · Computer Science 2023-06-21 Utkarsh Prakash , Aryan Chollera , Kushagra Khatwani , Prabuchandran K. J. , Tejas Bodas

Black-box optimization (BBO) algorithms are concerned with finding the best solutions for problems with missing analytical details. Most classical methods for such problems are based on strong and fixed a priori assumptions, such as…

Machine Learning · Computer Science 2023-02-01 Minfang Lu , Shuai Ning , Shuangrong Liu , Fengyang Sun , Bo Zhang , Bo Yang , Lin Wang

Efficiently accessing the information contained in non-linear and high dimensional probability distributions remains a core challenge in modern statistics. Traditionally, estimators that go beyond point estimates are either categorized as…

Methodology · Statistics 2021-07-06 Philipp Frank , Reimar Leike , Torsten A. Enßlin

A strong link between information geometry and algebraic statistics is made by investigating statistical manifolds which are algebraic varieties. In particular it it shown how first and second order efficient estimators can be constructed,…

Statistics Theory · Mathematics 2014-01-13 Kei Kobayashi , Henry P. Wynn

This article introduces an informative goodness-of-fit (iGOF) approach to study multivariate distributions. When the null model is rejected, iGOF allows us to identify the underlying sources of mismodeling and naturally equips practitioners…

Methodology · Statistics 2022-04-06 Sara Algeri

Parameter settings profoundly impact the performance of machine learning algorithms and laboratory experiments. The classical grid search or trial-error methods are exponentially expensive in large parameter spaces, and Bayesian…

Machine Learning · Computer Science 2017-04-18 Vu Nguyen , Santu Rana , Sunil Gupta , Cheng Li , Svetha Venkatesh

Bayesian optimization (BO) is a powerful technology for optimizing noisy expensive-to-evaluate black-box functions, with a broad range of real-world applications in science, engineering, economics, manufacturing, and beyond. In this paper,…

Machine Learning · Computer Science 2024-01-30 Joel A. Paulson , Calvin Tsay

Despite the recent success of Bayesian optimization (BO) in a variety of applications where sample efficiency is imperative, its performance may be seriously compromised in settings characterized by high-dimensional parameter spaces. A…

Machine Learning · Computer Science 2020-11-26 Noémie Jaquier , Leonel Rozo

We develop a framework for goal-oriented optimal design of experiments (GOODE) for large-scale Bayesian linear inverse problems governed by PDEs. This framework differs from classical Bayesian optimal design of experiments (ODE) in the…

Computational Engineering, Finance, and Science · Computer Science 2018-08-15 Ahmed Attia , Alen Alexanderian , Arvind K. Saibaba

Topology optimization (TO) provides a principled mathematical approach for optimizing the performance of a structure by designing its material spatial distribution in a pre-defined domain and subject to a set of constraints. The majority of…

Machine Learning · Computer Science 2024-08-08 Amin Yousefpour , Shirin Hosseinmardi , Carlos Mora , Ramin Bostanabad