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To assist in the development of machine learning methods for automated classification of spectroscopic data, we have generated a universal synthetic dataset that can be used for model validation. This dataset contains artificial spectra…

机器学习 · 计算机科学 2022-06-15 Jan Schuetzke , Nathan J. Szymanski , Markus Reischl

Deep learning has been widely used in various applications from different fields such as computer vision, natural language processing, etc. However, the training models are often manually developed via many costly experiments. This manual…

机器学习 · 计算机科学 2022-11-22 Thanh Phuong Pham

The classic problem of constrained pathfinding is a well-studied, yet challenging, topic in AI with a broad range of applications in various areas such as communication and transportation. The Weight Constrained Shortest Path Problem…

人工智能 · 计算机科学 2024-03-07 Saman Ahmadi , Guido Tack , Daniel Harabor , Philip Kilby , Mahdi Jalili

Heterogeneous computing systems, which combine general-purpose processors with specialized accelerators, are increasingly important for optimizing the performance of modern applications. A central challenge is to decide which parts of an…

分布式、并行与集群计算 · 计算机科学 2026-04-15 Martin Wilhelm , Franz Freitag , Max Tzschoppe , Thilo Pionteck

Search-optimization problems are plentiful in scientific and engineering domains. Artificial intelligence has long contributed to the development of search algorithms and declarative programming languages geared toward solving and modeling…

人工智能 · 计算机科学 2023-03-22 Yuliya Lierler

Most machine learning algorithms are configured by one or several hyperparameters that must be carefully chosen and often considerably impact performance. To avoid a time consuming and unreproducible manual trial-and-error process to find…

Automated machine learning pipeline (ML) composition and optimisation aim at automating the process of finding the most promising ML pipelines within allocated resources (i.e., time, CPU and memory). Existing methods, such as Bayesian-based…

机器学习 · 计算机科学 2020-11-25 Tien-Dung Nguyen , Bogdan Gabrys , Katarzyna Musial

Autoresearch offers a flexible paradigm for automating scientific tasks, in which an AI agent proposes, implements, evaluates, and refines candidate solutions against a quantitative objective. Here, we use composition-based…

材料科学 · 物理学 2026-05-15 Matteo Cobelli , Stefano Sanvito

Canonical correlation analysis is a statistical technique that is used to find relations between two sets of variables. An important extension in pattern analysis is to consider more than two sets of variables. This problem can be expressed…

机器学习 · 计算机科学 2013-02-06 Jan Rupnik , Primoz Skraba , John Shawe-Taylor , Sabrina Guettes

Markov chain Monte Carlo (MCMC) sampling is an important and commonly used tool for the analysis of hierarchical models. Nevertheless, practitioners generally have two options for MCMC: utilize existing software that generates a black-box…

The knapsack problem (KP) and its multidimensional version (MKP) are basic problems in combinatorial optimization. In this paper we consider their multiobjective extension (MOKP and MOMKP), for which the aim is to obtain or to approximate…

离散数学 · 计算机科学 2010-07-26 Thibaut Lust , Jacques Teghem

Web Service Composition (WSC) is a particularly promising application of Web services, where multiple individual services with specific functionalities are composed to accomplish a more complex task, which must fulfil functional…

人工智能 · 计算机科学 2019-01-30 Soheila Sadeghiram , Hui Ma , Gang Chen

Sherpa is a hyperparameter optimization library for machine learning models. It is specifically designed for problems with computationally expensive, iterative function evaluations, such as the hyperparameter tuning of deep neural networks.…

机器学习 · 计算机科学 2020-05-11 Lars Hertel , Julian Collado , Peter Sadowski , Jordan Ott , Pierre Baldi

The AutoML task consists of selecting the proper algorithm in a machine learning portfolio, and its hyperparameter values, in order to deliver the best performance on the dataset at hand. Mosaic, a Monte-Carlo tree search (MCTS) based…

机器学习 · 计算机科学 2019-10-09 Herilalaina Rakotoarison , Marc Schoenauer , Michèle Sebag

Feature engineering has become one of the most important steps to improve model prediction performance, and to produce quality datasets. However, this process requires non-trivial domain-knowledge which involves a time-consuming process.…

The performance of multiobjective algorithms varies across problems, making it hard to develop new algorithms or apply existing ones to new problems. To simplify the development and application of new multiobjective algorithms, there has…

神经与进化计算 · 计算机科学 2022-07-08 Yuri Lavinas , Marcelo Ladeira , Gabriela Ochoa , Claus Aranha

Mixtures of probabilistic principal component analysis (MPPCA) is a well-known mixture model extension of principal component analysis (PCA). Similar to PCA, MPPCA assumes the data samples in each mixture contain homoscedastic noise.…

统计方法学 · 统计学 2023-01-27 Alec S. Xu , Laura Balzano , Jeffrey A. Fessler

The multiple knapsack problem (MKP) generalizes the classical knapsack problem by assigning items to multiple knapsacks subject to capacity constraints. It is used to model many real-world resource allocation and scheduling problems. In…

神经与进化计算 · 计算机科学 2026-04-14 Ishara Hewa Pathiranage , Aneta Neumann

The Maximum Weighted Independent Set (MWIS) problem, which considers a graph with weights assigned to nodes and seeks to discover the "heaviest" independent set, that is, a set of nodes with maximum total weight so that no two nodes in the…

数据结构与算法 · 计算机科学 2020-08-18 Kai Sun

The Combined Algorithm Selection and Hyperparameter optimization (CASH) is one of the most fundamental problems in Automatic Machine Learning (AutoML). The existing Bayesian optimization (BO) based solutions turn the CASH problem into a…

机器学习 · 计算机科学 2020-12-09 Yang Li , Jiawei Jiang , Jinyang Gao , Yingxia Shao , Ce Zhang , Bin Cui