相关论文: Accelerating Battery Material Optimization through…

Accurate fault detection in lithium-ion batteries is essential for the safe and reliable operation of electric vehicles and energy storage systems. However, existing methods often struggle to capture complex temporal dependencies and cannot…

In this work, we benchmark three leading Machine Learning (ML) frameworks-MODNet, CrabNet, and a random forest model based on Magpie feature-for predicting properties of battery electrode materials using the Materials Project Battery…

In recent years, the use of lithium-ion batteries has greatly expanded into products from many industrial sectors, e.g. cars, power tools or medical devices. An early prediction and robust understanding of battery faults could therefore…

The machine learning (ML) training over disparate data sources traditionally involves materialization, which can impose substantial time and space overhead due to data movement and replication. Factorized learning, which leverages direct…

Multi-objective optimization of the textile manufacturing process is an increasing challenge because of the growing complexity involved in the development of the textile industry. The use of intelligent techniques has been often discussed…

Alloy discovery is constrained by vast compositional spaces, competing objectives, and prohibitive experimental costs. Although simulations and machine learning have each accelerated parts of this process, unifying scientific knowledge,…

Machine learning models are being used extensively in many important areas, but there is no guarantee a model will always perform well or as its developers intended. Understanding the correctness of a model is crucial to prevent potential…

Discovering novel materials can be greatly accelerated by iterative machine learning-informed proposal of candidates---active learning. However, standard \emph{global-scope error} metrics for model quality are not predictive of discovery…

Model-based Reinforcement Learning (MBRL) is a promising framework for learning control in a data-efficient manner. MBRL algorithms can be fairly complex due to the separate dynamics modeling and the subsequent planning algorithm, and as a…

In recent years, model-agnostic meta-learning (MAML) has become a popular research area. However, the stochastic optimization of MAML is still underdeveloped. Existing MAML algorithms rely on the ``episode'' idea by sampling a few tasks and…

With the growing demand for novel materials, machine learning-driven inverse design methods face significant challenges in reconciling the high-dimensional materials composition space with limited experimental data. Existing approaches…

Machine Learning (ML) is an expressive framework for turning data into computer programs. Across many problem domains -- both in industry and policy settings -- the types of computer programs needed for accurate prediction or optimal…

The determination of sample size in qualitative research has traditionally relied on the subjective and often ambiguous principle of data saturation, which can lead to inconsistencies and threaten methodological rigor. This study introduces…

Machine learning (ML) provides access to fast and accurate quantum chemistry (QC) calculations for various properties of interest such as excitation energies. It is often the case that high accuracy in prediction using an ML model, demands…

Machine learning (ML)-based interatomic potentials are currently garnering a lot of attention as they strive to achieve the accuracy of electronic structure methods at the computational cost of empirical potentials. Given their generic…

Lithium-ion batteries are a key energy storage technology driving revolutions in mobile electronics, electric vehicles and renewable energy storage. Capacity retention is a vital performance measure that is frequently utilized to assess…

The rapid growth of the Internet of Things (IoT) devices is paralleled by them being on the front-line of malicious attacks. This has led to an explosion in the number of IoT malware, with continued mutations, evolution, and sophistication.…

The enormous structural and chemical diversity of metal-organic frameworks (MOFs) forces researchers to actively use simulation techniques on an equal footing with experiments. MOFs are widely known for outstanding adsorption properties, so…

Neural networks require a large amount of annotated data to learn. Meta-learning algorithms propose a way to decrease the number of training samples to only a few. One of the most prominent optimization-based meta-learning algorithms is…

The application of machine learning in materials presents a unique challenge of dealing with scarce and varied materials data - both experimental and theoretical. Nevertheless, several state-of-the-art machine learning models for materials…