相关论文: Machine Learning on Multiple Topological Materials…

The increased availability of computing time, in recent years, allows for systematic high-throughput studies of material classes with the purpose of both screening for materials with remarkable properties and understanding how structural…

We demonstrate a machine learning approach designed to extract hidden chemistry/physics to facilitate new materials discovery. In particular, we propose a novel method for learning latent knowledge from material structure data in which…

Machine learning and deep learning have been used extensively to classify physical surfaces through images and time-series contact data. However, these methods rely on human expertise and entail the time-consuming processes of data and…

By leveraging large amounts of product data collected across hundreds of live e-commerce websites, we construct 1000 unique classification tasks that share similarly-structured input data, comprised of both text and images. These…

Machine learning models for functional materials design require precise and informative representations of material systems. Common representations encode atomic composition and bonding but often do not include local coordination…

The high-throughput screening of periodic inorganic solids using machine learning methods requires atomic positions to encode structural and compositional details into appropriate material descriptors. These atomic positions are not…

Machine learning has emerged as a powerful approach in materials discovery. Its major challenge is selecting features that create interpretable representations of materials, useful across multiple prediction tasks. We introduce an…

A supervised machine learning (ML) based computational methodology for the design of particulate multifunctional composite materials with desired thermal conductivity (TC) is presented. The design variables are physical descriptors of the…

Topological insulators (TIs) and topological crystalline insulators (TCIs) are materials with unconventional electronic properties, making their discovery highly valuable for practical applications. However, such materials, particularly…

Biomass-derived hard carbon has become the most promising anode material for sodium-ion batteries (SIBs) due to its high capacity and excellent cycling stability. However, the effects of synthesis parameters and structural features on hard…

Machine Learning (ML) models have, in contrast to their usefulness in molecular dynamics studies, had limited success as surrogate potentials for reaction barrier search. It is due to the scarcity of training data in relevant transition…

Even though thermodynamic energy-based crystal structure prediction (CSP) has revolutionized materials discovery, the energy-driven CSP approaches often struggle to identify experimentally realizable metastable materials synthesized through…

Many vision-related tasks benefit from reasoning over multiple modalities to leverage complementary views of data in an attempt to learn robust embedding spaces. Most deep learning-based methods rely on a late fusion technique whereby…

Recent advancements in Artificial intelligence, especially deep learning, has changed many fields irreversibly by introducing state of the art methods for automation. Construction monitoring has not been an exception; as a part of…

This paper summarizes the research conducted for a malware detection project using the Canadian Institute for Cybersecurity's MalMemAnalysis-2022 dataset. The purpose of the project was to explore the effectiveness and efficiency of machine…

Topology applied to real world data using persistent homology has started to find applications within machine learning, including deep learning. We present a differentiable topology layer that computes persistent homology based on level set…

Quantum machine learning (QML) leverages the potential from machine learning to explore the subtle patterns in huge datasets of complex nature with quantum advantages. This exponentially reduces the time and resources necessary for…

A key algorithm for understanding the world is material segmentation, which assigns a label (metal, glass, etc.) to each pixel. We find that a model trained on existing data underperforms in some settings and propose to address this with a…

The combination of deep learning and ab initio materials calculations is emerging as a trending frontier of materials science research, with deep-learning density functional theory (DFT) electronic structure being particularly promising. In…

Lung cancer is a major issue in worldwide public health, requiring early diagnosis using stable techniques. This work begins a thorough investigation of the use of machine learning (ML) methods for precise classification of lung cancer…