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The detection of phase transitions is a fundamental challenge in condensed matter physics, traditionally addressed through analytical methods and direct numerical simulations. In recent years, machine learning techniques have emerged as…
We address the fundamental question of how to optimally probe a scene with electromagnetic (EM) radiation to yield a maximum amount of information relevant to a particular task. Machine learning (ML) techniques have emerged as powerful…
Machine learning advances chemistry and materials science by enabling large-scale exploration of chemical space based on quantum chemical calculations. While these models supply fast and accurate predictions of atomistic chemical…
Inspection of high-voltage power equipment is an effective way to ensure power supply reliability. Object recognition, one of the key technologies in automatic power equipment inspection, attracts attention of many researchers and…
Known for their ability to identify hidden patterns in data, artificial neural networks are among the most powerful machine learning tools. Most notably, neural networks have played a central role in identifying states of matter and phase…
Over the past years, machine learning has emerged as a powerful computational tool to tackle complex problems over a broad range of scientific disciplines. In particular, artificial neural networks have been successfully deployed to…
Reconstructing low-dimensional truth labels from high-dimensional experimental data is a central challenge in any scenario that relies on robust mappings across this so-called domain gap, from multi-particle final states in high-energy…
Ultrafast diffraction imaging is a powerful tool to retrieve the geometric structure of gas-phase molecules with combined picometre spatial and attosecond temporal resolution. However, structural retrieval becomes progressively difficult…
Reconstructing force fields (FFs) from atomistic simulation data is a challenge since accurate data can be highly expensive. Here, machine learning (ML) models can help to be data economic as they can be successfully constrained using the…
Object detectors achieve strong performance under nominal imaging conditions but can fail silently when exposed to blur, noise, compression, adverse weather, or resolution changes. In safety-critical settings, it is therefore insufficient…
We investigate the use of machine learning for solving analytic problems in theoretical physics. In particular, symbolic regression (SR) is making rapid progress in recent years as a tool to fit data using functions whose overall form is…
While computer vision has received increasing attention in computer science over the last decade, there are few efforts in applying this to leverage engineering design research. Existing datasets and technologies allow researchers to…
Over the past decade inter-atomic potentials based on machine-learning (ML) techniques have become an indispensable tool in the atomic-scale modeling of materials. Trained on energies and forces obtained from electronic-structure…
Our knowledge of the properties of dense nuclear matter is usually obtained indirectly via nuclear experiments, astrophysical observations, and nuclear theory calculations. Advancing our understanding of the nuclear equation of state (EOS,…
Machine learning is used to approximate the kinetic energy of one dimensional diatomics as a functional of the electron density. The functional can accurately dissociate a diatomic, and can be systematically improved with training. Highly…
In many machine learning tasks, learning a good representation of the data can be the key to building a well-performant solution. This is because most learning algorithms operate with the features in order to find models for the data. For…
Recent applications of machine learning and statistical inference provide case studies demonstrating how such approaches can accelerate the discovery process in physical chemistry and related fields. Examples discussed in this review…
Machine learning plays an increasingly significant role in many aspects of our lives (including medicine, transportation, security, justice and other domains), making the potential consequences of false predictions increasingly devastating.…
The rapid advancement of machine learning and artificial intelligence (AI)-driven techniques is revolutionizing materials discovery, property prediction, and material design by minimizing human intervention and accelerating scientific…
Determining the stability of molecules and condensed phases is the cornerstone of atomistic modelling, underpinning our understanding of chemical and materials properties and transformations. Here we show that a machine learning model,…