相关论文: Development of exchange-correlation functionals as…

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific…

Transfer learning (TL), the next frontier in machine learning (ML), has gained much popularity in recent years, due to the various challenges faced in ML, like the requirement of vast amounts of training data, expensive and time-consuming…

Machine learning has been increasingly applied in climate modeling on system emulation acceleration, data-driven parameter inference, forecasting, and knowledge discovery, addressing challenges such as physical consistency, multi-scale…

We discuss the emerging advances and opportunities at the intersection of machine learning (ML) and climate physics, highlighting the use of ML techniques, including supervised, unsupervised, and equation discovery, to accelerate climate…

Context: Machine Learning (ML) has become widely adopted as a component in many modern software applications. Due to the large volumes of data available, organizations want to increasingly leverage their data to extract meaningful insights…

Molecular representation learning (MRL) is a key step to build the connection between machine learning and chemical science. In particular, it encodes molecules as numerical vectors preserving the molecular structures and features, on top…

Recent advances in general purpose pre-trained language models have shown great potential in commonsense reasoning. However, current works still perform poorly on standard commonsense reasoning benchmarks including the Com2Sense Dataset. We…

Machine learning (ML) provides algorithms to create computer programs based on data without explicitly programming them. In business process management (BPM), ML applications are used to analyse and improve processes efficiently. Three…

Machine Learning (ML) has become a fast-growing, trending approach in solution development in practice. Deep Learning (DL) which is a subset of ML, learns using deep neural networks to simulate the human brain. It trains machines to learn…

Machine learning applications are increasingly deployed not only to serve predictions using static models, but also as tightly-integrated components of feedback loops involving dynamic, real-time decision making. These applications pose a…

Recent years have seen a significant increase in the use of machine intelligence for predicting electronic structure, molecular force fields, and the physicochemical properties of various condensed systems. However, substantial challenges…

[Context] The increasing adoption of machine learning (ML) in software systems demands specialized ideation approaches that address ML-specific challenges, including data dependencies, technical feasibility, and alignment between business…

In this big data era, the use of large dataset in conjunction with machine learning (ML) has been increasingly popular in both industry and academia. In recent times, the field of materials science is also undergoing a big data revolution,…

Supervised machine learning (ML) algorithms have recently been proposed as an alternative to traditional tractography methods in order to address some of their weaknesses. They can be path-based and local-model-free, and easily incorporate…

As an essential attribute of organic compounds, polarity has a profound influence on many molecular properties such as solubility and phase transition temperature. Thin layer chromatography (TLC) represents a commonly used technique for…

This survey is on recent advancements in the intersection of physical modeling and machine learning. We focus on the modeling of nonlinear systems which are closer to electric motors. Survey on motor control and fault detection in operation…

This paper investigates the linear merging of models in the context of continual learning (CL). Using controlled visual cues in computer vision experiments, we demonstrate that merging largely preserves or enhances shared knowledge, while…

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,…

Imaging, scattering, and spectroscopy are fundamental in understanding and discovering new functional materials. Contemporary innovations in automation and experimental techniques have led to these measurements being performed much faster…

Prediction of pair potential given a typical configuration of an interacting classical system is a difficult inverse problem. There exists no exact result that can predict the potential given the structural information. We demonstrate that…