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Bayesian optimization has emerged as a powerful strategy to accelerate scientific discovery by means of autonomous experimentation. However, expensive measurements are required to accurately estimate materials properties, and can quickly…

机器学习 · 统计学 2021-03-08 Riley J. Hickman , Florian Häse , Loïc M. Roch , Alán Aspuru-Guzik

Many algorithms feature an iterative loop that converges to the result of interest. The numerical operations in such algorithms are generally implemented using finite-precision arithmetic, either fixed- or floating-point, most of which…

硬件体系结构 · 计算机科学 2019-10-02 He Li , James J. Davis , John Wickerson , George A. Constantinides

Data reduction procedures are aimed to minimize the impact of data acquisition imperfections on the measurement of data properties with a scientific meaning for the astronomer. To achieve this purpose, appropriate arithmetic manipulations…

The use of residential photovoltaics has increased dramatically in recent years. With battery systems becoming more affordable, the optimal operation of a photovoltaic-battery system can bring significant savings to households. Optimal…

机器学习 · 统计学 2026-05-28 Joris Depoortere , Hussain Kazmi , Johan Driesen

We describe the design, operation, and first results of a photometric calibration project, called DICE (Direct Illumination Calibration Experiment), aiming at achieving precise instrumental calibration of optical telescopes. The heart of…

Material extrusion is one of the most commonly used approaches within the additive manufacturing processes available. Despite its popularity and related technical advancements, process reliability and quality assurance remain only partially…

It is important to accurately model materials' properties at lower length scales (micro-level) while translating the effects to the components and/or system level (macro-level) can significantly reduce the amount of experimentation required…

计算机与社会 · 计算机科学 2022-11-08 Kazuma Kobayashi , Shoaib Usman , Carlos Castano , Dinesh Kumar , Syed Alam

The superposition of data sets with internal parametric self-similarity is a longstanding and widespread technique for the analysis of many types of experimental data across the physical sciences. Typically, this superposition is performed…

数据分析、统计与概率 · 物理学 2022-06-01 Kyle R. Lennon , Gareth H. McKinley , James W. Swan

We present a first-principles-based (second-principles) scheme that permits large-scale materials simulations including both atomic and electronic degrees of freedom on the same footing. The method is based on a predictive…

材料科学 · 物理学 2016-06-08 Pablo García-Fernández , Jacek C. Wojdeł , Jorge Íñiguez , Javier Junquera

Ultra-weak photon emission (UPE) from living systems is widely hypothesized to reflect un-derlying self-organization and long-range coordination in biological dynamics. However, distin-guishing biologically driven correlations from trivial…

生物物理 · 物理学 2025-11-17 M. Benfatto , L. De Paolis , L. Tonello , P. Grigolini

Field experiments are often difficult and expensive to make. To bypass these issues, industrial companies have developed computational codes. These codes intend to be representative of the physical system, but come with a certain amount of…

统计计算 · 统计学 2019-03-26 Mathieu Carmassi , Pierre Barbillon , Merlin Keller , Eric Parent , Matthieu Chiodetti

Predictive modelling represents an emerging field that combines existing and novel methodologies aimed to rapidly understand physical mechanisms and concurrently develop new materials, processes and structures. In the current study,…

Nuclear matter under extreme conditions can be investigated in ultra-relativistic heavy-ion collisions. The measurement of transverse momentum distributions and yields of identified particles is a fundamental step in understanding…

核实验 · 物理学 2016-11-23 Maria Vasileiou

Low-loss waveguides enable efficient light delivery in photonic circuits, which are essential for high-speed optical communications and scalable implementations of photonic quantum technologies. We study the effects of several fabrication…

Analog electronic and optical computing exhibit tremendous advantages over digital computing for accelerating deep learning when operations are executed at low precision. In this work, we derive a relationship between analog precision,…

机器学习 · 计算机科学 2021-02-15 Sahaj Garg , Joe Lou , Anirudh Jain , Mitchell Nahmias

This paper reviews past and ongoing efforts in using high-throughput ab-inito calculations in combination with machine learning models for materials design. The primary focus is on bulk materials, i.e., materials with fixed, ordered,…

材料科学 · 物理学 2020-07-08 Rickard Armiento

The production of direct photons, not coming from hadron decays, at large transverse momentum pT > 2 GeV/c in proton-proton collisions at the LHC, is an interesting process to test the predictions of perturbative Quantum Chromodynamics at…

高能物理 - 实验 · 物理学 2015-03-17 Raphaelle Ichou

Procedural material models have been gaining traction in many applications thanks to their flexibility, compactness, and easy editability. We explore the inverse rendering problem of procedural material parameter estimation from…

图形学 · 计算机科学 2025-04-22 Yu Guo , Milos Hasan , Lingqi Yan , Shuang Zhao

Materials informatics offers a promising pathway towards rational materials design, replacing the current trial-and-error approach and accelerating the development of new functional materials. Through the use of sophisticated data analysis…

材料科学 · 物理学 2018-05-17 Cormac Toher , Corey Oses , Stefano Curtarolo

Reference information plays an essential role for making decisions under uncertainty, yet may vary across multiple data sources. In this paper, we study resource allocation in stochastic dynamic environments, where we perform information…

最优化与控制 · 数学 2024-11-05 Yanru Guo , Bo Zhou , Ruiwei Jiang , Xi , Yang , Siqian Shen