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Gaussian processes (GPs) provide flexible distributions over functions, with inductive biases controlled by a kernel. However, in many applications Gaussian processes can struggle with even moderate input dimensionality. Learning a low…

机器学习 · 计算机科学 2020-01-01 Ian A. Delbridge , David S. Bindel , Andrew Gordon Wilson

This work considers to achieve near-optimal operation for a class of batch processes by employing self-optimizing control (SOC). Comparing with a continuous one, a batch process exhibits stronger nonlinearity with dynamics because of the…

最优化与控制 · 数学 2026-05-08 Chenchen Zhou , Hongxin Su , Xinhui Tang , Yi Cao , Shuang-hua Yang

Physical phenomena are observed in many fields (sciences and engineering) and are often studied by time-consuming computer codes. These codes are analyzed with statistical models, often called emulators. In many situations, the physical…

概率论 · 数学 2016-06-07 Hassan Maatouk , Xavier Bay

Combinatorial optimization (CO) problems arise across a broad spectrum of domains, including medicine, logistics, and manufacturing. While exact solutions are often computationally infeasible, many practical applications require…

机器学习 · 计算机科学 2025-05-27 Arman Mielke , Uwe Bauknecht , Thilo Strauss , Mathias Niepert

Orthogonality constraints are ubiquitous in robust and probabilistic machine learning. Unfortunately, current optimizers are computationally expensive and do not scale to problems with hundreds or thousands of constraints. One notable…

机器学习 · 计算机科学 2026-02-17 Adrián Javaloy , Antonio Vergari

Scientific and engineering problems often require the use of artificial intelligence to aid understanding and the search for promising designs. While Gaussian processes (GP) stand out as easy-to-use and interpretable learners, they have…

机器学习 · 计算机科学 2021-07-01 Liwei Wang , Suraj Yerramilli , Akshay Iyer , Daniel Apley , Ping Zhu , Wei Chen

Graph Neural Networks (GNNs) are effective for processing graph-structured data but face challenges with large graphs due to high memory requirements and inefficient sparse matrix operations on GPUs. Quantum Computing (QC) offers a…

机器学习 · 计算机科学 2025-11-04 Mikel Casals , Vasilis Belis , Elias F. Combarro , Eduard Alarcón , Sofia Vallecorsa , Michele Grossi

As deep learning continues to advance and is applied to increasingly complex scenarios, the demand for concurrent deployment of multiple neural network models has arisen. This demand, commonly referred to as multi-tenant computing, is…

分布式、并行与集群计算 · 计算机科学 2023-04-25 Yongbo Yu , Fuxun Yu , Mingjia Zhang , Di Wang , Tolga Soyata , Chenchen Liu , Xiang Chen

Vectorial Genetic Programming (Vec-GP) extends GP by allowing vectors as input features along regular, scalar features, using them by applying arithmetic operations component-wise or aggregating vectors into scalars by some aggregation…

神经与进化计算 · 计算机科学 2023-03-07 Philipp Fleck , Stephan Winkler , Michael Kommenda , Michael Affenzeller

Gaussian process (GP) based Bayesian optimization (BO) is a powerful method for optimizing black-box functions efficiently. The practical performance and theoretical guarantees of this approach depend on having the correct GP hyperparameter…

机器学习 · 统计学 2024-06-07 Huong Ha , Vu Nguyen , Hung Tran-The , Hongyu Zhang , Xiuzhen Zhang , Anton van den Hengel

Particle-based simulations and point-cloud applications generate massive, irregular datasets that challenge storage, I/O, and real-time analytics. Traditional compression techniques struggle with irregular particle distributions and GPU…

分布式、并行与集群计算 · 计算机科学 2025-08-15 Ruoyu Li , Yafan Huang , Longtao Zhang , Zhuoxun Yang , Sheng Di , Jiajun Huang , Jinyang Liu , Jiannan Tian , Xin Liang , Guanpeng Li , Hanqi Guo , Franck Cappello , Kai Zhao

The quantum approximate optimization algorithm (QAOA) is a quantum heuristic for combinatorial optimization that has been demonstrated to scale better than state-of-the-art classical solvers for some problems. For a given problem instance,…

量子物理 · 物理学 2026-02-23 Tianyi Hao , Zichang He , Ruslan Shaydulin , Jeffrey Larson , Marco Pistoia

Constraint satisfiability problems, crucial to several applications, are solved on a quantum computer using Grover's search algorithm, leading to a quadratic improvement over the classical case. The solutions are obtained with high…

量子物理 · 物理学 2024-01-10 Gayathree M. Vinod , Anil Shaji

We consider the problem of evaluating arbitrary multivariate polynomials over a massive dataset containing multiple inputs, on a distributed computing system with a master node and multiple worker nodes. Generalized Lagrange Coded Computing…

信息论 · 计算机科学 2024-11-07 Jinbao Zhu , Hengxuan Tang , Songze Li , Yijia Chang

The Variational Quantum Eigensolver (VQE) algorithm is gaining interest for its potential use in near-term quantum devices. In the VQE algorithm, parameterized quantum circuits (PQCs) are employed to prepare quantum states, which are then…

量子物理 · 物理学 2023-12-29 Atsushi Matsuo , Yudai Suzuki , Ikko Hamamura , Shigeru Yamashita

The fusion of experimental automation and machine learning has catalyzed a new era in materials research, prominently featuring Gaussian Process Bayesian Optimization (GPBO) driven autonomous experiments navigating complex experimental…

材料科学 · 物理学 2024-05-28 Sumner B. Harris , Rama Vasudevan , Yongtao Liu

A 3-dimensional GPU Poisson solver is developed for all possible combinations of free and periodic boundary conditions (BCs) along the three directions. It is benchmarked for various grid sizes and different BCs and a significant…

计算物理 · 物理学 2015-06-12 Nazim Dugan , Luigi Genovese , Stefan Goedecker

We introduce a simple algorithm, True Asymptotic Natural Gradient Optimization (TANGO), that converges to a true natural gradient descent in the limit of small learning rates, without explicit Fisher matrix estimation. For quadratic models…

机器学习 · 统计学 2017-12-25 Yann Ollivier

This paper describes a novel algorithmic framework to minimize a finite-sum of functions available over a network of nodes. The proposed framework, that we call~\GTVR, is stochastic and decentralized, and thus is particularly suitable for…

最优化与控制 · 数学 2020-12-02 Ran Xin , Usman A. Khan , Soummya Kar

Many Machine Learning algorithms are formulated as regularized optimization problems, but their performance hinges on a regularization parameter that needs to be calibrated to each application at hand. In this paper, we propose a general…

机器学习 · 统计学 2021-03-31 Mike Laszkiewicz , Asja Fischer , Johannes Lederer
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