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We introduce a unified framework for contextual and causal Bayesian optimisation, which aims to design intervention policies maximising the expectation of a target variable. Our approach leverages both observed contextual information and…

Machine Learning · Computer Science 2026-02-04 Vahan Arsenyan , Antoine Grosnit , Haitham Bou-Ammar , Arnak Dalalyan

A Bayesian optimization algorithm for the nurse scheduling problem is presented, which involves choosing a suitable scheduling rule from a set for each nurses assignment. Unlike our previous work that used Gas to implement implicit…

Neural and Evolutionary Computing · Computer Science 2010-07-05 Jingpeng Li , Uwe Aickelin

Persistent homology is an important methodology in topological data analysis which adapts theory from algebraic topology to data settings. Computing persistent homology produces persistence diagrams, which have been successfully used in…

Machine Learning · Statistics 2026-01-13 Yueqi Cao , Anthea Monod

We propose a general algorithmic framework for Bayesian model selection. A spike-and-slab Laplacian prior is introduced to model the underlying structural assumption. Using the notion of effective resistance, we derive an EM-type algorithm…

Methodology · Statistics 2020-06-19 Youngseok Kim , Chao Gao

In this paper, we develop topological data analysis methods for classification tasks on univariate time series. As an application, we perform binary and ternary classification tasks on two public datasets that consist of physiological…

Machine Learning · Statistics 2021-06-15 Alperen Karan , Atabey Kaygun

Attempts to incorporate topological information in supervised learning tasks have resulted in the creation of several techniques for vectorizing persistent homology barcodes. In this paper, we study thirteen such methods. Besides describing…

Optimizing discrete black-box functions is key in several domains, e.g. protein engineering and drug design. Due to the lack of gradient information and the need for sample efficiency, Bayesian optimization is an ideal candidate for these…

Bayesian optimisation has proven to be a powerful tool for expensive global black-box optimisation problems. In this paper, we propose new Bayesian optimisation variants of the popular Knowledge Gradient acquisition functions for problems…

Machine Learning · Computer Science 2025-12-22 Xietao Wang Lin , Juan Ungredda , Max Butler , James Town , Alma Rahat , Hemant Singh , Juergen Branke

Persistent homology is a tool that can be employed to summarize the shape of data by quantifying homological features. When the data is an object in $\mathbb{R}^d$, the (augmented) persistent homology transform ((A)PHT) is a family of…

Computational Geometry · Computer Science 2022-12-27 Brittany Terese Fasy , Samuel Micka , David L. Millman , Anna Schenfisch , Lucia Williams

Topological correctness is critical for segmentation of tubular structures, which pervade in biomedical images. Existing topological segmentation loss functions are primarily based on the persistent homology of the image. They match the…

Computer Vision and Pattern Recognition · Computer Science 2025-10-29 Bo Wen , Haochen Zhang , Dirk-Uwe G. Bartsch , William R. Freeman , Truong Q. Nguyen , Cheolhong An

Wide variety of engineering design tasks can be formulated as constrained optimization problems where the shape and topology of the domain are optimized to reduce costs while satisfying certain constraints. Several mathematical approaches…

Optimization and Control · Mathematics 2015-03-10 Igor Ostanin , Denis Zorin , Ivan Oseledets

Within the context of topological data analysis, the problems of identifying topological significance and matching signals across datasets are important and useful inferential tasks in many applications. The limitation of existing solutions…

Algebraic Topology · Mathematics 2024-06-26 Inés García-Redondo , Anthea Monod , Anna Song

Recent years have witnessed a tremendous growth using topological summaries, especially the persistence diagrams (encoding the so-called persistent homology) for analyzing complex shapes. Intuitively, persistent homology maps a potentially…

Computational Geometry · Computer Science 2021-04-19 Samantha Chen , Yusu Wang

Modern epidemiological analytics increasingly use machine learning models that offer strong prediction but often lack calibrated uncertainty. Bayesian methods provide principled uncertainty quantification, yet are viewed as difficult to…

Machine Learning · Statistics 2025-11-18 Debashis Chatterjee

The increasing availability of structured but high dimensional data has opened new opportunities for optimization. One emerging and promising avenue is the exploration of unsupervised methods for projecting structured high dimensional data…

Machine Learning · Computer Science 2021-01-07 Eero Siivola , Javier Gonzalez , Andrei Paleyes , Aki Vehtari

High-dimensional black-box optimisation remains an important yet notoriously challenging problem. Despite the success of Bayesian optimisation methods on continuous domains, domains that are categorical, or that mix continuous and…

Machine Learning · Statistics 2021-06-11 Xingchen Wan , Vu Nguyen , Huong Ha , Binxin Ru , Cong Lu , Michael A. Osborne

In recent years, the use of data-driven methods has provided insights into underlying patterns and principles behind culinary recipes. In this exploratory work, we introduce the use of topological data analysis, especially persistent…

Algebraic Topology · Mathematics 2024-06-17 Emerson G. Escolar , Yuta Shimada , Masahiro Yuasa

The aim of black-box optimization is to optimize an objective function within the constraints of a given evaluation budget. In this problem, it is generally assumed that the computational cost for evaluating a point is large; thus, it is…

Machine Learning · Statistics 2019-12-03 Masahiro Nomura , Kenshi Abe

In many applications, ranging from logistics to engineering, a designer is faced with a sequence of optimization tasks for which the objectives are in the form of black-box functions that are costly to evaluate. Furthermore, higher-fidelity…

Machine Learning · Computer Science 2025-01-09 Yunchuan Zhang , Sangwoo Park , Osvaldo Simeone

A topology optimization method is presented for the design of periodic microstructured materials with prescribed homogenized nonlinear constitutive properties over finite strain ranges. The mechanical model assumes linear elastic isotropic…

Computational Engineering, Finance, and Science · Computer Science 2020-05-20 Reza Behrou , Maroun Abi Ghanem , Brianna C. Macnider , Vimarsh Verma , Ryan Alvey , Jinho Hong , Ashley F. Emery , Hyunsun Alicia Kim , Nicholas Boechler
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