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High-throughput computational materials design promises to greatly accelerate the process of discovering new materials and compounds, and of optimizing their properties. The large databases of structures and properties that result from…

Chemical Physics · Physics 2016-11-22 Sandip De , Felix Musil , Teresa Ingram , Carsten Baldauf , Michele Ceriotti

In this study, we explore the efficiency of the Monte Carlo Tree Search (MCTS), a prominent decision-making algorithm renowned for its effectiveness in complex decision environments, contingent upon the volume of simulations conducted.…

Artificial Intelligence · Computer Science 2024-03-19 Ye Zhang , Mengran Zhu , Kailin Gui , Jiayue Yu , Yong Hao , Haozhan Sun

The construction of brain graphs from functional Magnetic Resonance Imaging (fMRI) data plays a crucial role in enabling graph machine learning for neuroimaging. However, current practices often rely on rigid pipelines that overlook…

Machine Learning · Computer Science 2025-08-19 Qinwen Ge , Roza G. Bayrak , Anwar Said , Catie Chang , Xenofon Koutsoukos , Tyler Derr

Automated machine learning (AutoML) has democratized the design of machine learning based systems, by automating model selection, hyperparameter tuning and feature engineering. However, the high computational cost associated with…

Machine Learning · Computer Science 2025-08-20 Edesio Alcobaça , André C. P. L. F. de Carvalho

Optimal designs are usually model-dependent and likely to be sub-optimal if the postulated model is not correctly specified. In practice, it is common that a researcher has a list of candidate models at hand and a design has to be found…

Statistics Theory · Mathematics 2023-03-29 Mingyao Ai , Holger Dette , Zhengfu Liu , Jun Yu

Multi-mode resource and precedence-constrained project scheduling is a well-known challenging real-world optimisation problem. An important variant of the problem requires scheduling of activities for multiple projects considering…

Data Structures and Algorithms · Computer Science 2016-09-09 Shahriar Asta , Daniel Karapetyan , Ahmed Kheiri , Ender Özcan , Andrew J. Parkes

Brain MRI segmentation results should always undergo a quality control (QC) process, since automatic segmentation tools can be prone to errors. In this work, we propose two deep learning-based architectures for performing QC automatically.…

Image and Video Processing · Electrical Eng. & Systems 2020-05-29 Irene Brusini , Daniel Ferreira Padilla , José Barroso , Ingmar Skoog , Örjan Smedby , Eric Westman , Chunliang Wang

Graphics Processing Units (GPUs) have become the standard in accelerating scientific applications on heterogeneous systems. However, as GPUs are getting faster, one potential performance bottleneck with GPU-accelerated applications is the…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-05-01 Jonah Ekelund , Stefano Markidis , Ivy Peng

Algorithms proposed for solving high-dimensional optimization problems with no derivative information frequently encounter the "curse of dimensionality," becoming ineffective as the dimension of the parameter space grows. One feature of a…

Optimization and Control · Mathematics 2020-04-28 Dmitry Pozharskiy , Noah J. Wichrowski , Andrew B. Duncan , Grigorios A. Pavliotis , Ioannis G. Kevrekidis

Artificial neural networks have gone through a recent rise in popularity, achieving state-of-the-art results in various fields, including image classification, speech recognition, and automated control. Both the performance and…

Neural and Evolutionary Computing · Computer Science 2016-11-08 Sean C. Smithson , Guang Yang , Warren J. Gross , Brett H. Meyer

Spikes are the currency in central nervous systems for information transmission and processing. They are also believed to play an essential role in low-power consumption of the biological systems, whose efficiency attracts increasing…

Neural and Evolutionary Computing · Computer Science 2020-05-05 Qiang Yu , Shenglan Li , Huajin Tang , Longbiao Wang , Jianwu Dang , Kay Chen Tan

Learned indexes, which use machine learning models to replace traditional index structures, have shown promising results in recent studies. However, existing learned indexes exhibit a performance gap between synthetic and real-world…

Databases · Computer Science 2022-05-20 Jiaoyi Zhang , Yihan Gao

Targeting in-memory one-dimensional search keys, we propose a novel DIstribution-driven Learned Index tree (DILI), where a concise and computation-efficient linear regression model is used for each node. An internal node's key range is…

Databases · Computer Science 2023-05-19 Pengfei Li , Hua Lu , Rong Zhu , Bolin Ding , Long Yang , Gang Pan

Probabilistic inference algorithms such as Sequential Monte Carlo (SMC) provide powerful tools for constraining procedural models in computer graphics, but they require many samples to produce desirable results. In this paper, we show how…

Graphics · Computer Science 2016-10-17 Daniel Ritchie , Anna Thomas , Pat Hanrahan , Noah D. Goodman

This paper describes in detail the bitonic sort algorithm,and implements the bitonic sort algorithm based on cuda architecture.At the same time,we conduct two effective optimization of implementation details according to the characteristics…

Distributed, Parallel, and Cluster Computing · Computer Science 2016-10-31 Qi Mu , Liqing Cui , Yufei Song

Decision tree learning is a widely used approach in machine learning, favoured in applications that require concise and interpretable models. Heuristic methods are traditionally used to quickly produce models with reasonably high accuracy.…

Convolution is one of the fundamental operations of deep neural networks with demanding matrix computation. In a graphic processing unit (GPU), Tensor Core is a specialized matrix processing hardware equipped with reduced-precision…

Machine Learning · Computer Science 2022-02-25 Junkyeong Choi , Hyucksung Kwon , Woongkyu Lee , Jungwook Choi , Jieun Lim

Design mining is the use of computational intelligence techniques to iteratively search and model the attribute space of physical objects evaluated directly through rapid prototyping to meet given objectives. It enables the exploitation of…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Richard J. Preen , Larry Bull

This article presents an automatic approach to quickly derive a good solution for hardware resource partition and task granularity for task-based parallel applications on heterogeneous many-core architectures. Our approach employs a…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-03-10 Peng Zhang , Jianbin Fang , Canqun Yang , Chun Huang , Tao Tang , Zheng Wang

Support Vector Machine (SVM) algorithm requires a high computational cost (both in memory and time) to solve a complex quadratic programming (QP) optimization problem during the training process. Consequently, SVM necessitates high…

Distributed, Parallel, and Cluster Computing · Computer Science 2023-11-28 Islam Elgarhy