相关论文: Material Hardness Descriptor Derived by Symbolic R…

Texture-based studies and designs have been in focus recently. Whisker-based multidimensional surface texture data is missing in the literature. This data is critical for robotics and machine perception algorithms in the classification and…

Quantifying the relationship between geometric descriptors of microstructure and effective properties like permeability is essential for understanding and improving the behavior of porous materials. In this paper, we employ a previously…

Discovering interpretable physical laws from high-dimensional data is a fundamental challenge in scientific research. Traditional methods, such as symbolic regression, often produce complex, unphysical formulas when searching a vast space…

Extracting interpretable equations from observational datasets to describe complex natural phenomena is one of the core goals of artificial intelligence. This field is known as symbolic regression (SR). In recent years, Transformer-based…

The last decade has seen intense research in materials with reduced dimensionality. The low dimensionality leads to interesting electronic behavior due to electronic confinement and reduced screening. The investigations have to a large…

A data-driven computational method is introduced to extract chemical reaction mechanisms from time series chemical concentration data. It is realized through the use of dynamic symbolic regression in which a sparse analytical form for a…

Neural networks achieve remarkable performance through superposition: encoding multiple features as overlapping directions in activation space rather than dedicating individual neurons to each feature. This challenges interpretability, yet…

Owing to its high scalability and computational efficiency, machine learning methods have been increasingly integrated into various scientific research domains, including ab initio-based materials design. It has been demonstrated that, by…

We probe the accuracy of linear ridge regression employing a three-body local density representation derived from the atomic cluster expansion. We benchmark the accuracy of this framework in the prediction of formation energies and atomic…

In the field of materials science, exploring the relationship between composition, microstructure, and properties has long been a critical research focus. The mechanical performance of solid-solution Mg-Gd alloys is significantly influenced…

The advent of material databases provides an unprecedented opportunity to uncover predictive descriptors for emergent material properties from vast data space. However, common reliance on high-throughput ab initio data necessarily inherits…

Materials characterization remains a significant, time-consuming undertaking. Generally speaking, spectroscopic techniques are used in conjunction with empirical and ab-initio calculations in order to elucidate structure. These experimental…

Spatial symmetries and invariances play an important role in the behaviour of materials and should be respected in the description and modelling of material properties. The focus here is the class of physically symmetric and positive…

This work is devoted to the study of the symmetries of (quasi)periodic architectured materials. For this purpose, the weaker symmetry criterion of indistinguishability is used. It relies on a statistical description of the mesostructure and…

As the use of deep learning in high impact domains becomes ubiquitous, it is increasingly important to assess the resilience of models. One such high impact domain is that of face recognition, with real world applications involving images…

In recent times, the use of machine learning in materials design and discovery has aided to accelerate the discovery of innovative materials with extraordinary properties, which otherwise would have been driven by a laborious and…

We explore algorithms and limitations for sparse optimization problems such as sparse linear regression and robust linear regression. The goal of the sparse linear regression problem is to identify a small number of key features, while the…

The applications of machine learning techniques to chemistry and materials science become more numerous by the day. The main challenge is to devise representations of atomic systems that are at the same time complete and concise, so as to…

Designing functional materials requires a deep search through multidimensional spaces for system parameters that yield desirable material properties. For cases where conventional parameter sweeps or trial-and-error sampling are impractical,…

Currently, the growth of material data from experiments and simulations is expanding beyond processable amounts. This makes the development of new data-driven methods for the discovery of patterns among multiple lengthscales and time-scales…