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Deep learning has achieved impressive results on many problems. However, it requires high degree of expertise or a lot of experience to tune well the hyperparameters, and such manual tuning process is likely to be biased. Moreover, it is…

Computer Vision and Pattern Recognition · Computer Science 2018-01-08 Jiazhuo Wang , Jason Xu , Xuejun Wang

High-quality training data is the foundation of machine learning and artificial intelligence, shaping how models learn and perform. Although much is known about what types of data are effective for training, the impact of the data's…

Machine Learning · Computer Science 2025-10-21 Yang Ba , Mohammad Sadeq Abolhasani , Rong Pan

This paper proposes a novel topological learning framework that integrates networks of different sizes and topology through persistent homology. Such challenging task is made possible through the introduction of a computationally efficient…

Neurons and Cognition · Quantitative Biology 2023-01-30 Tananun Songdechakraiwut , Moo K. Chung

Learning Bayesian networks is often cast as an optimization problem, where the computational task is to find a structure that maximizes a statistically motivated score. By and large, existing learning tools address this optimization problem…

Machine Learning · Computer Science 2013-01-30 Nir Friedman , Iftach Nachman , Dana Pe'er

Machine learning methods usually depend on internal parameters -- so called hyperparameters -- that need to be optimized for best performance. Such optimization poses a burden on machine learning practitioners, requiring expert knowledge,…

Chemical Physics · Physics 2020-04-03 Annika Stuke , Patrick Rinke , Milica Todorović

Bayesian optimization is a popular formalism for global optimization, but its computational costs limit it to expensive-to-evaluate functions. A competing, computationally more efficient, global optimization framework is optimistic…

Machine Learning · Computer Science 2022-09-05 Julia Grosse , Cheng Zhang , Philipp Hennig

Bayesian optimization is a natural candidate for the engineering of antibody therapeutic properties, which is often iterative and expensive. However, finding the optimal choice of surrogate model for optimization over the highly structured…

Bayesian optimization is used in many areas of AI for the optimization of black-box processes and has achieved impressive improvements of the state of the art for a lot of applications. It intelligently explores large and complex design…

Materials Science · Physics 2021-08-03 Lars Kotthoff , Hud Wahab , Patrick Johnson

A suitable feature representation that can both preserve the data intrinsic information and reduce data complexity and dimensionality is key to the performance of machine learning models. Deeply rooted in algebraic topology, persistent…

Algebraic Topology · Mathematics 2018-11-02 Chi Seng Pun , Kelin Xia , Si Xian Lee

In topological data analysis, persistent homology characterizes robust topological features in data and it has a summary representation, called a persistence diagram. Statistical research for persistence diagrams have been actively…

Algebraic Topology · Mathematics 2018-10-29 Genki Kusano

Spatial transcriptomics studies are becoming increasingly large and commonplace, necessitating simultaneous analysis of a large number of spatially resolved variables. Correspondingly, a diverse range of methodologies have been proposed to…

Quantitative Methods · Quantitative Biology 2025-09-09 James Boyle , Gregory Hamm , Eleanor Williams , Robin JG Hartman , Magnus Soderburg , Ian Henry , Michael Casey

Bayesian optimization (BO) is an efficient framework for optimizing expensive black-box functions. However, it is typically formulated as learning an end-to-end mapping from inputs to scalar objectives, thereby discarding the potentially…

Machine Learning · Computer Science 2026-05-12 Wenbin Wang , Colin N. Jones

Although a large number of optimization algorithms have been proposed for black box optimization problems, the no free lunch theorems inform us that no algorithm can beat others on all types of problems. Different types of optimization…

Neural and Evolutionary Computing · Computer Science 2020-01-07 Yaodong He , Shiu Yin Yuen

Persistent homology has recently emerged as a powerful technique in topological data analysis for analyzing the emergence and disappearance of topological features throughout a filtered space, shown via persistence diagrams. Additionally,…

Algebraic Topology · Mathematics 2016-12-16 Nicholas A. Scoville , Karthik Yegnesh

The adaptive processing of structured data is a long-standing research topic in machine learning that investigates how to automatically learn a mapping from a structured input to outputs of various nature. Recently, there has been an…

Machine Learning · Computer Science 2022-02-28 Federico Errica

Actin cytoskeleton networks generate local topological signatures due to the natural variations in the number, size, and shape of holes of the networks. Persistent homology is a method that explores these topological properties of data and…

Machine Learning · Statistics 2020-09-28 Vasileios Maroulas , Cassie Putman Micucci , Farzana Nasrin

Persistent homology, a powerful mathematical tool for data analysis, summarizes the shape of data through tracking topological features across changes in different scales. Classical algorithms for persistent homology are often constrained…

Quantum Physics · Physics 2024-02-28 Bernardo Ameneyro , George Siopsis , Vasileios Maroulas

We propose a mixed integer programming (MIP) model and iterative algorithms based on topological orders to solve optimization problems with acyclic constraints on a directed graph. The proposed MIP model has a significantly lower number of…

Machine Learning · Statistics 2017-11-02 Young Woong Park , Diego Klabjan

The area of topology optimization of continuum structures of which is allowed to change in order to improve the performance is now dominated by methods that employ the material distribution concept. The typical methods of the topology…

Computational Engineering, Finance, and Science · Computer Science 2013-09-24 Jun-ichi Koga , Jiro Koga , Shunji Homma

Topological features play an essential role in ensuring geometric plausibility and structural consistency in image analysis tasks such as segmentation and skeletonization. However, integrating topology-preserving learning based on simple…

Computer Vision and Pattern Recognition · Computer Science 2026-05-01 Wenxiao Li , Faqiang Wang , Yuping Duan , Li Cui , Liqiang Zhang , Jun Liu
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