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We use the benefits and components of classical computers every day. However, there are many types of problems which, as they grow in size, their computational complexity grows larger than classical computers will ever be able to solve.…

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

机器学习 · 计算机科学 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

Probabilistic forecasting is receiving growing attention nowadays in a variety of applied fields, including hydrology. Several machine learning concepts and methods are notably relevant towards addressing the major challenges of formalizing…

机器学习 · 计算机科学 2022-11-01 Georgia Papacharalampous , Hristos Tyralis

Recent advancements in quantum computing have positioned it as a prospective solution for tackling intricate computational challenges, with supervised learning emerging as a promising domain for its application. Despite this potential, the…

机器学习 · 计算机科学 2024-07-25 Antonio Macaluso

Machine learning with application to questions in the physical sciences has become a widely used tool, successfully applied to classification, regression and optimization tasks in many areas. Research focus mostly lies in improving the…

机器学习 · 计算机科学 2021-07-20 Pascal Friederich , Mario Krenn , Isaac Tamblyn , Alan Aspuru-Guzik

Quantum Machine Learning (QML) is the intersection of two revolutionary fields: quantum computing and machine learning. It promises to unlock unparalleled capabilities in data analysis, model building, and problem-solving by harnessing the…

数字图书馆 · 计算机科学 2025-04-11 Riya Bansal , Nikhil Kumar Rajput

Machine learning is rapidly becoming a core technology for scientific computing, with numerous opportunities to advance the field of computational fluid dynamics. In this Perspective, we highlight some of the areas of highest potential…

流体动力学 · 物理学 2022-07-04 Ricardo Vinuesa , Steven L. Brunton

Increasing digitalization enables the use of machine learning methods for analyzing and optimizing manufacturing processes. A main application of machine learning is the construction of quality prediction models, which can be used, among…

Machine Learning tools are nowadays widely applied extensively to the prediction of the properties of molecular materials, using datasets extracted from high-throughput computational models. In several cases of scientific and technological…

材料科学 · 物理学 2021-02-10 Fabio Le Piane , Matteo Baldoni , Francesco Mercuri

Computational developments--particularly artificial intelligence--are reshaping social scientific research and raise new questions for in-depth methods such as ethnography and qualitative interviewing. Building on classic debates about…

计算机与社会 · 计算机科学 2025-11-13 Corey M. Abramson , Tara Prendergast , Zhuofan Li , Daniel Dohan

The field of fluid mechanics is rapidly advancing, driven by unprecedented volumes of data from field measurements, experiments and large-scale simulations at multiple spatiotemporal scales. Machine learning offers a wealth of techniques to…

流体动力学 · 物理学 2020-02-19 Steven Brunton , Bernd Noack , Petros Koumoutsakos

Molecular dynamics (MD) has become a powerful tool for studying biophysical systems, due to increasing computational power and availability of software. Although MD has made many contributions to better understanding these complex…

计算物理 · 物理学 2019-09-27 Yihang Wang , Joao Marcelo Lamim Ribeiro , Pratyush Tiwary

Supervised Quantum Machine Learning (QML) represents an intersection of quantum computing and classical machine learning, aiming to use quantum resources to support model training and inference. This paper reviews recent developments in…

量子物理 · 物理学 2025-06-26 Srikanth Thudumu , Jason Fisher , Hung Du

Quantum Computing (QC) claims to improve the efficiency of solving complex problems, compared to classical computing. When QC is integrated with Machine Learning (ML), it creates a Quantum Machine Learning (QML) system. This paper aims to…

量子物理 · 物理学 2025-06-11 Kamila Zaman , Alberto Marchisio , Muhammad Abdullah Hanif , Muhammad Shafique

We present an innovative of artificial intelligence with column chromatography, aiming to resolve inefficiencies and standardize data collection in chemical separation and purification domain. By developing an automated platform for precise…

机器学习 · 计算机科学 2024-04-16 Wenchao Wu , Hao Xu , Dongxiao Zhang , Fanyang Mo

Machine learning (ML) can be used to construct surrogate models for the fast prediction of a property of interest. ML can thus be applied to chemical projects, where the usual experimentation or calculation techniques can take hours or days…

Deep learning, a subfield of machine learning, has gained importance in various application areas in recent years. Its growing popularity has led it to enter the natural sciences as well. This has created the need for molecular…

化学物理 · 物理学 2026-03-09 Sanjanasri JP , Pratiti Bhadra , N. Sukumar , Soman KP

Automated analyses of the outcome of a simulation have been an important part of atomistic modeling since the early days, addressing the need of linking the behavior of individual atoms and the collective properties that are usually the…

化学物理 · 物理学 2019-05-22 Michele Ceriotti

Reliable predictions of the behaviour of chemical systems are essential across many industries, from nanoscale engineering over validation of advanced materials to nanotoxicity assessment in health and medicine. For the future we therefore…

化学物理 · 物理学 2021-03-05 Judith B. Rommel

Product classification is a crucial task in international trade, as compliance regulations are verified and taxes and duties are applied based on product categories. Manual classification of products is time-consuming and error-prone, and…

计算与语言 · 计算机科学 2024-10-16 Sina Gholamian , Gianfranco Romani , Bartosz Rudnikowicz , Stavroula Skylaki