相关论文: Physics-Constrained Machine Learning for Chemical …

Here we will give a perspective on new possible interplays between Machine Learning and Quantum Physics, including also practical cases and applications. We will explore the ways in which machine learning could benefit from new quantum…

Molecular dynamics simulations are an important tool for describing the evolution of a chemical system with time. However, these simulations are inherently held back either by the prohibitive cost of accurate electronic structure theory…

Physics-informed machine learning (PIML) integrates mechanistic knowledge, typically in the form of partial differential equations (PDE), into data-driven models. Despite strong empirical performance, its statistical generalisation…

There has been considerable growth and interest in industrial applications of machine learning (ML) in recent years. ML engineers, as a consequence, are in high demand across the industry, yet improving the efficiency of ML engineers…

Dusty plasma is a mixture of ions, electrons, and macroscopic charged particles that is commonly found in space and planetary environments. The particles interact through Coulomb forces mediated by the surrounding plasma, and as a result,…

The mass loss of the polar ice sheets contributes considerably to ongoing sea-level rise and changing ocean circulation, leading to coastal flooding and risking the homes and livelihoods of tens of millions of people globally. To address…

Scientific machine learning (SciML) models are transforming many scientific disciplines. However, the development of good modeling practices to increase the trustworthiness of SciML has lagged behind its application, limiting its potential…

The industry of quantum technologies is rapidly expanding, offering promising opportunities for various scientific domains. Among these emerging technologies, Quantum Machine Learning (QML) has attracted considerable attention due to its…

Accurate representations of unknown and sub-grid physical processes through parameterizations (or closure) in numerical simulations with quantified uncertainty are critical for resolving the coarse-grained partial differential equations…

Molecular property prediction is essential for drug discovery. In recent years, deep learning methods have been introduced to this area and achieved state-of-the-art performances. However, most of existing methods ignore the intrinsic…

Neutrino experiments study the least understood of the Standard Model particles by observing their direct interactions with matter or searching for ultra-rare signals. The study of neutrinos typically requires overcoming large backgrounds,…

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,…

This review examines the current state of research on microscale cellular changes during the drying of plant-based food materials (PBFM), with particular emphasis on computational modelling approaches. The review addresses the critical need…

Applied machine learning (ML) has rapidly spread throughout the physical sciences; in fact, ML-based data analysis and experimental decision-making has become commonplace. We suggest a shift in the conversation from proving that ML can be…

Restricted Boltzmann machines (RBMs) are powerful machine learning models, but learning and some kinds of inference in the model require sampling-based approximations, which, in classical digital computers, are implemented using expensive…

Machine learning (ML) has emerged as a powerful tool for tackling complex regression and classification tasks, yet its success often hinges on the quality of training data. This study introduces an ML paradigm inspired by domain knowledge…

Deep learning (DL) relies heavily on data, and the quality of data influences its performance significantly. However, obtaining high-quality, well-annotated datasets can be challenging or even impossible in many real-world applications,…

Accurate and efficient prediction of electronic wavefunctions is central to ab initio molecular dynamics (AIMD) and electronic structure theory. However, conventional ab initio methods require self-consistent optimization of electronic…

This survey examines the broad suite of methods and models for combining machine learning with physics knowledge for prediction and forecast, with a focus on partial differential equations. These methods have attracted significant interest…

The next generation of particle physics experiments will face a new era of challenges in data acquisition, due to unprecedented data rates and volumes along with extreme environments and operational constraints. Harnessing this data for…