相关论文: Machine Learning-Based Classification, Interpretat…

In this paper, we consider the problem of automatic modulation classification with multiple sensors in the presence of unknown time offset, phase offset and received signal amplitude. We develop a novel hybrid maximum likelihood (HML)…

The prediction of phase diagrams in the search for new phases is a complex and computationally intensive task. Density functional theory provides, in many situations, the desired accuracy, but its throughput becomes prohibitively limited as…

Magnetism prediction is of great significance for Fe-based metallic glasses (FeMGs), which have shown great commercial value. Theories or models established based on condensed matter physics exhibit several exceptions and limited accuracy.…

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…

This study examines the application of machine learning algorithms, specifically the Random Forest regression model, to optimize the magnetocaloric effect in all-d-metal Heusler alloys. The model was trained using descriptors related to the…

We develop a machine-learned interatomic potential for AlCrCuFeNi high-entropy alloys (HEA) using a diverse set of structures from density functional theory calculated including magnetic effects. The potential is based on the…

Processing treatments of alloys, despite being influential to alloy properties, are often neglected in machine-learning aided alloy designs due to the difficulties in expressing this information. We investigated the expressiveness of…

While traditional trial-and-error methods for designing amorphous alloys are costly and inefficient, machine learning approaches based solely on composition lack critical atomic structural information. Machine learning interatomic…

The rapid global aging trend has led to an increase in dementia cases, including Alzheimer's disease, underscoring the urgent need for early and accurate diagnostic methods. Traditional diagnostic techniques, such as cognitive tests,…

Diabetes remains a significant health challenge globally, contributing to severe complications like kidney disease, vision loss, and heart issues. The application of machine learning (ML) in healthcare enables efficient and accurate disease…

Material scientists are increasingly adopting the use of machine learning (ML) for making potentially important decisions, such as, discovery, development, optimization, synthesis and characterization of materials. However, despite ML's…

The combination of high-throughput experimentation techniques and machine learning (ML) has recently ushered in a new era of accelerated material discovery, enabling the identification of materials with cutting-edge properties. However, the…

Machine learning (ML) has emerged as a powerful tool for accelerating the computational design and production of materials. In materials science, ML has primarily supported large-scale discovery of novel compounds using first-principles…

Effectively training Large Language Models (LLMs) for complex, long-CoT reasoning is often bottlenecked by the need for massive high-quality reasoning data. Existing methods are either computationally expensive or fail to reliably…

We revisit the question of predicting both Hodge numbers $h^{1,1}$ and $h^{2,1}$ of complete intersection Calabi-Yau (CICY) 3-folds using machine learning (ML), considering both the old and new datasets built respectively by…

Hybrid approaches that combine data-driven learning with physics-based insight have shown promise for improving the reliability of industrial condition monitoring. This work develops a hybrid condition monitoring framework that integrates…

We introduce an interpretable deep learning framework that predicts the cohesive energy of transition-metal alloys (TMAs) by embedding cohesion theory within graph neural networks (GNNs). Beyond accurate prediction of cohesive energy, a key…

This short paper presents the potential of using machine learning to predict materials behaviour in the context of hydrogen interaction with steel. Effort has been made to understand the quality, and amount of data needed to get improved…

The tools and technology that are currently used to analyze chemical compound structures that identify polymer types in microplastics are not well-calibrated for environmentally weathered microplastics. Microplastics that have been degraded…

Artificial intelligence (AI) has transformed materials discovery, enabling rapid exploration of chemical space through generative models and surrogate screening. Yet current AI workflows optimize performance first, deferring sustainability…