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Bayesian optimization (BO) is one of the most powerful strategies to solve computationally expensive-to-evaluate blackbox optimization problems. However, BO methods are conventionally used for optimization problems of small dimension…

Optimization and Control · Mathematics 2025-02-10 Rémy Priem , Youssef Diouane , Nathalie Bartoli , Sylvain Dubreuil , Paul Saves

To achieve the greatest possible speed, practitioners regularly implement randomized algorithms for low-rank approximation and least-squares regression with structured dimension reduction maps. Despite significant research effort, basic…

Data Structures and Algorithms · Computer Science 2025-09-01 Chris Camaño , Ethan N. Epperly , Raphael A. Meyer , Joel A. Tropp

The rapid discovery of new chemical compounds is essential for advancing global health and developing treatments. While generative models show promise in creating novel molecules, challenges remain in ensuring the real-world applicability…

Biomolecules · Quantitative Biology 2025-09-29 Onur Boyar , Hiroyuki Hanada , Ichiro Takeuchi

Basic Linear Algebra Subprograms (BLAS) play key role in high performance and scientific computing applications. Experimentally, yesteryear multicore and General Purpose Graphics Processing Units (GPGPUs) are capable of achieving up to 15…

Hardware Architecture · Computer Science 2016-11-29 Farhad Merchant , Tarun Vatwani , Anupam Chattopadhyay , Soumyendu Raha , S K Nandy , Ranjani Narayan

Bayesian optimization over the latent spaces of deep autoencoder models (DAEs) has recently emerged as a promising new approach for optimizing challenging black-box functions over structured, discrete, hard-to-enumerate search spaces (e.g.,…

Machine Learning · Computer Science 2023-02-24 Natalie Maus , Haydn T. Jones , Juston S. Moore , Matt J. Kusner , John Bradshaw , Jacob R. Gardner

Factorization and multiplication of dense matrices and tensors are critical, yet extremely expensive pieces of the scientific toolbox. Careful use of low rank approximation can drastically reduce the computation and memory requirements of…

Performance · Computer Science 2023-11-15 Sameer Deshmukh , Rio Yokota , George Bosilca

The optimization of expensive-to-evaluate black-box functions is prevalent in various scientific disciplines. Bayesian optimization is an automatic, general and sample-efficient method to solve these problems with minimal knowledge of the…

Machine Learning · Computer Science 2024-02-20 Carl Hvarfner , Frank Hutter , Luigi Nardi

Linear algebraic expressions are the essence of many computationally intensive problems, including scientific simulations and machine learning applications. However, translating high-level formulations of these expressions to efficient…

Distributed, Parallel, and Cluster Computing · Computer Science 2019-03-22 Dániel Berényi , András Leitereg , Gábor Lehel

Recommender systems have advanced markedly over the past decade by transforming each user/item into a dense embedding vector with deep learning models. At industrial scale, embedding tables constituted by such vectors of all users/items…

Information Retrieval · Computer Science 2026-04-21 Runhao Jiang , Renchi Yang , Donghao Wu

To exploit both memory locality and the full performance potential of highly tuned kernels, dense linear algebra libraries such as LAPACK commonly implement operations as blocked algorithms. However, to achieve next-to-optimal performance…

Mathematical Software · Computer Science 2022-04-08 Elmar Peise , Paolo Bientinesi

We investigate a parallelization strategy for dense matrix factorization (DMF) algorithms, using OpenMP, that departs from the legacy (or conventional) solution, which simply extracts concurrency from a multithreaded version of BLAS. This…

Distributed, Parallel, and Cluster Computing · Computer Science 2018-04-20 Sandra Catalán , Adrián Castelló , Francisco D. Igual , Rafael Rodríguez-Sánchez , Enrique S. Quintana-Ortí

We review strategies for differentiating matrix-based computations, and derive symbolic and algorithmic update rules for differentiating expressions containing the Cholesky decomposition. We recommend new `blocked' algorithms, based on…

Computation · Statistics 2016-02-25 Iain Murray

The level of abstraction at which application experts reason about linear algebra computations and the level of abstraction used by developers of high-performance numerical linear algebra libraries do not match. The former is conveniently…

Mathematical Software · Computer Science 2020-08-10 Henrik Barthels , Christos Psarras , Paolo Bientinesi

Bayesian optimization (BO) is a sequential decision-making tool widely used for optimizing expensive black-box functions. Recently, Large Language Models (LLMs) have shown remarkable adaptability in low-data regimes, making them promising…

Machine Learning · Computer Science 2025-10-10 Chih-Yu Chang , Milad Azvar , Chinedum Okwudire , Raed Al Kontar

This dissertation introduces measurement-based performance modeling and prediction techniques for dense linear algebra algorithms. As a core principle, these techniques avoid executions of such algorithms entirely, and instead predict their…

Performance · Computer Science 2017-06-06 Elmar Peise

The optimization of high-dimensional black-box functions is a challenging problem. When a low-dimensional linear embedding structure can be assumed, existing Bayesian optimization (BO) methods often transform the original problem into…

Machine Learning · Statistics 2022-11-03 Shuhei A. Horiguchi , Tomoharu Iwata , Taku Tsuzuki , Yosuke Ozawa

LAPACK and ScaLAPACK are arguably the defacto standard libraries among the scientific community for solving linear algebra problems on sequential, shared-memory and distributed-memory architectures. While ease of use was a major design goal…

Computational Physics · Physics 2007-10-26 Timothy Stitt , Graham Kells , Jiri Vala

iALS is a popular algorithm for learning matrix factorization models from implicit feedback with alternating least squares. This algorithm was invented over a decade ago but still shows competitive quality compared to recent approaches like…

Machine Learning · Computer Science 2021-10-28 Steffen Rendle , Walid Krichene , Li Zhang , Yehuda Koren

The Bayesian Lasso is constructed in the linear regression framework and applies the Gibbs sampling to estimate the regression parameters. This paper develops a new sparse learning model, named the Bayesian Lasso Sparse (BLS) model, that…

Machine Learning · Statistics 2022-07-15 Ingvild M. Helgøy , Yushu Li

While Weighted Lasso sparse regression has appealing statistical guarantees that would entail a major real-world impact in finance, genomics, and brain imaging applications, it is typically scarcely adopted due to its complex…

Machine Learning · Computer Science 2022-06-13 Kenan Šehić , Alexandre Gramfort , Joseph Salmon , Luigi Nardi