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PHYSBO (optimization tools for PHYSics based on Bayesian Optimization) is a Python library for fast and scalable Bayesian optimization. It has been developed mainly for application in the basic sciences such as physics and materials…

Computational Physics · Physics 2022-05-26 Yuichi Motoyama , Ryo Tamura , Kazuyoshi Yoshimi , Kei Terayama , Tsuyoshi Ueno , Koji Tsuda

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-box. The data may have some known structure (e.g. symmetries)…

Machine Learning · Computer Science 2022-12-08 Samuel Kim , Peter Y. Lu , Charlotte Loh , Jamie Smith , Jasper Snoek , Marin Soljačić

Macro placement is the problem of placing memory blocks on a chip canvas. It can be formulated as a combinatorial optimization problem over sequence pairs, a representation which describes the relative positions of macros. Solving this…

The integrated nested Laplace approximation (INLA) method has become a popular approach for computationally efficient approximate Bayesian computation. In particular, by leveraging sparsity in random effect precision matrices, INLA is…

Methodology · Statistics 2024-07-02 Finn Lindgren , Fabian Bachl , Janine Illian , Man Ho Suen , Håvard Rue , Andrew E. Seaton

Tensor algebra is a crucial component for data-intensive workloads such as machine learning and scientific computing. As the complexity of data grows, scientists often encounter a dilemma between the highly specialized dense tensor algebra…

Programming Languages · Computer Science 2024-07-19 Mahdi Ghorbani , Emilien Bauer , Tobias Grosser , Amir Shaikhha

In recommendation systems, practitioners observed that increase in the number of embedding tables and their sizes often leads to significant improvement in model performances. Given this and the business importance of these models to major…

Machine Learning · Computer Science 2020-10-26 Jie Amy Yang , Jianyu Huang , Jongsoo Park , Ping Tak Peter Tang , Andrew Tulloch

With the increasing penetration of renewable energy, traditional physics-based power system operation faces growing challenges in achieving economic efficiency, stability, and robustness. Machine learning (ML) has emerged as a powerful tool…

Systems and Control · Electrical Eng. & Systems 2026-02-03 Wangkun Xu , Zhongda Chu , Fei Teng

Bayesian optimization is a sequential method for minimizing objective functions that are expensive to evaluate and about which few assumptions can be made. By using all gathered data to train a Gaussian process model for the function and…

Machine Learning · Computer Science 2026-05-07 Jesse Schneider , William J. Welch

Graph algorithms can be expressed in terms of linear algebra. GraphBLAS is a library of low-level building blocks for such algorithms that targets algorithm developers. LAGraph builds on top of the GraphBLAS to target users of graph…

Mathematical Software · Computer Science 2021-04-06 Gábor Szárnyas , David A. Bader , Timothy A. Davis , James Kitchen , Timothy G. Mattson , Scott McMillan , Erik Welch

A scoring system is a linear classifier composed of a small number of explanatory variables, each assigned a small integer coefficient. This system is highly interpretable and allows predictions to be made with simple manual calculations…

Machine Learning · Computer Science 2026-01-14 Moe Shiina , Shunnosuke Ikeda , Yuichi Takano

bde is a user-friendly Python package for Bayesian Deep Ensembles with a particular focus on tabular data. Built on an efficient JAX implementation of the sampling-based inference method Microcanonical Langevin Ensembles (MILE), it provides…

Machine Learning · Computer Science 2026-05-15 Vyron Arvanitis , Angelos Aslanidis , Emanuel Sommer , David Rügamer

Despite their dominance in vision and language, deep neural networks often underperform relative to tree-based models on tabular data. To bridge this gap, we incorporate five key inductive biases into deep learning: robustness to irrelevant…

Machine Learning · Statistics 2026-03-24 Kry Yik Chau Lui , Cheng Chi , Kishore Basu , Yanshuai Cao

Bayesian Optimization (BO) is a popular approach to optimizing expensive-to-evaluate black-box functions. Despite the success of BO, its performance may decrease exponentially as the dimensionality increases. A common framework to tackle…

Machine Learning · Computer Science 2024-12-24 Quoc-Anh Hoang Nguyen , The Hung Tran

Randomized numerical linear algebra - RandNLA, for short - concerns the use of randomization as a resource to develop improved algorithms for large-scale linear algebra computations. The origins of contemporary RandNLA lay in theoretical…

Analytics tasks manipulate structured data with variants of relational algebra (RA) and quantitative data with variants of linear algebra (LA). The two computational models have overlapping expressiveness, motivating a common programming…

Databases · Computer Science 2017-05-16 Dylan Hutchison , Bill Howe , Dan Suciu

Bilevel optimization has shown its utility across various machine learning settings, yet most algorithms in practice require second-order information, making it challenging to scale them up. Only recently, a paradigm of first-order…

Machine Learning · Computer Science 2025-05-27 Rui Pan , Dylan Zhang , Hanning Zhang , Xingyuan Pan , Minrui Xu , Jipeng Zhang , Renjie Pi , Xiaoyu Wang , Tong Zhang

Bayesian optimization (BO) is a powerful approach for seeking the global optimum of expensive black-box functions and has proven successful for fine tuning hyper-parameters of machine learning models. However, BO is practically limited to…

Machine Learning · Statistics 2020-09-28 Riccardo Moriconi , Marc P. Deisenroth , K. S. Sesh Kumar

Bilevel optimization is characterized by a two-level optimization structure, where the upper-level problem is constrained by optimal lower-level solutions, and such structures are prevalent in real-world problems. The constraint by optimal…

Machine Learning · Computer Science 2025-05-29 Ruth Wan Theng Chew , Quoc Phong Nguyen , Bryan Kian Hsiang Low

Bayesian optimization is a powerful method for optimizing black-box functions with limited function evaluations. Recent works have shown that optimization in a latent space through deep generative models such as variational autoencoders…

Machine Learning · Computer Science 2023-11-21 Seunghun Lee , Jaewon Chu , Sihyeon Kim , Juyeon Ko , Hyunwoo J. Kim

Sparse general matrix multiplication (SpGEMM) is an important and expensive computation primitive in many real-world applications. Due to SpGEMM's inherent irregularity and the vast diversity of its input matrices, developing…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-06-16 Zhaoyang Du , Yijin Guan , Tianchan Guan , Dimin Niu , Linyong Huang , Hongzhong Zheng , Yuan Xie
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