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Related papers: Physics is the New Data

200 papers

The emergence and continued reliance on the Internet and related technologies has resulted in the generation of large amounts of data that can be made available for analyses. However, humans do not possess the cognitive capabilities to…

Machine Learning · Computer Science 2021-01-12 MohammadNoor Injadat , Abdallah Moubayed , Ali Bou Nassif , Abdallah Shami

Molecular Dynamics (MD) simulation is widely used to analyze the properties of molecules and materials. Most practical applications, such as comparison with experimental measurements, designing drug molecules, or optimizing materials, rely…

Chemical Physics · Physics 2018-12-20 Frank Noé

The phenomenal success of physics in explaining nature and designing hardware is predicated on efficient computational models. A universal codebook of physical laws defines the computational rules and a physical system is an interacting…

Emerging Technologies · Computer Science 2021-09-14 Bahram Jalali , Achuta Kadambi , Vwani Roychowdhury

Data-driven techniques are increasingly used to replace electronic-structure calculations of matter. In this context, a relevant question is whether machine learning (ML) should be applied directly to predict the desired properties or be…

Numerical approaches to the correlated electron problem have achieved considerable success, yet are still constrained by several bottlenecks, including high order polynomial or exponential scaling in system size, long autocorrelation times,…

Strongly Correlated Electrons · Physics 2022-12-14 S. Johnston , E. Khatami , R. T. Scalettar

As modern scientific instruments generate vast amounts of data and the volume of information in the scientific literature continues to grow, machine learning (ML) has become an essential tool for organising, analysing, and interpreting…

The application of machine learning (ML) methods to the analysis of astrophysical datasets is on the rise, particularly as the computing power and complex algorithms become more powerful and accessible. As the field of ML enjoys a…

Instrumentation and Methods for Astrophysics · Physics 2020-05-20 K. A. Venn , S. Fabbro , A Liu , Y. Hezaveh , L. Perreault-Levasseur , G. Eadie , S. Ellison , J. Woo , JJ. Kavelaars , K. M. Yi , R. Hlozek , J. Bovy , H. Teimoorinia , S. Ravanbakhsh , L. Spencer

Classical molecular dynamics (MD) simulations will be able to reach sampling in the second timescale within five years, producing petabytes of simulation data at current force field accuracy. Notwithstanding this, MD will still be in the…

Biomolecules · Quantitative Biology 2018-10-24 Adrià Pérez , Gerard Martínez-Rosell , Gianni De Fabritiis

Attempts to apply Neural Networks (NN) to a wide range of research problems have been ubiquitous and plentiful in recent literature. Particularly, the use of deep NNs for understanding complex physical and chemical phenomena has opened a…

Machine Learning · Computer Science 2021-12-01 Arijit Sehanobish , Hector H. Corzo , Onur Kara , David van Dijk

Machine learning (ML) methods are being used in almost every conceivable area of electronic structure theory and molecular simulation. In particular, ML has become firmly established in the construction of high-dimensional interatomic…

Chemical Physics · Physics 2021-06-22 Julia Westermayr , Michael Gastegger , Kristof T. Schütt , Reinhard J. Maurer

Physics is a field of science that has traditionally used the scientific method to answer questions about why natural phenomena occur and to make testable models that explain the phenomena. Discovering equations, laws and principles that…

Physics-informed machine learning (PIML) is emerging as a potentially transformative paradigm for modeling complex biomedical systems by integrating parameterized physical laws with data-driven methods. Here, we review three main classes of…

Machine Learning · Computer Science 2025-10-08 Nazanin Ahmadi , Qianying Cao , Jay D. Humphrey , George Em Karniadakis

Machine learning (ML) has transformed numerous fields, but understanding its foundational research is crucial for its continued progress. This paper presents an overview of the significant classical ML algorithms and examines the…

This paper considers the use of Machine Learning (ML) in medicine by focusing on the main problem that this computational approach has been aimed at solving or at least minimizing: uncertainty. To this aim, we point out how uncertainty is…

Machine Learning · Computer Science 2018-05-15 Federico Cabitza , Davide Ciucci , Raffaele Rasoini

Physics-informed machine learning (PIML) is a set of methods and tools that systematically integrate machine learning (ML) algorithms with physical constraints and abstract mathematical models developed in scientific and engineering…

Artificial intelligence (AI) provides many opportunities to improve private and public life. Discovering patterns and structures in large troves of data in an automated manner is a core component of data science, and currently drives…

Machine Learning · Computer Science 2020-09-25 Vaishak Belle , Ioannis Papantonis

Deep learning is transforming many areas in science, and it has great potential in modeling molecular systems. However, unlike the mature deployment of deep learning in computer vision and natural language processing, its development in…

Computational Physics · Physics 2021-03-19 Jun Zhang , Yao-Kun Lei , Zhen Zhang , Junhan Chang , Maodong Li , Xu Han , Lijiang Yang , Yi Isaac Yang , Yi Qin Gao

While machine learning (ML) has found multiple applications in photonics, traditional "black box" ML models typically require prohibitively large training data sets. Generation of such data, as well as the training processes themselves,…

Artificial Intelligence (AI) and Machine Learning (ML) have been prevalent in particle physics for over three decades, shaping many aspects of High Energy Physics (HEP) analyses. As AI's influence grows, it is essential for physicists…

Physics and Society · Physics 2025-04-03 Claire David

Advances in machine learning methods provide tools that have broad applicability in scientific research. These techniques are being applied across the diversity of nuclear physics research topics, leading to advances that will facilitate…

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