Exploring Diverse Approaches for Predicting Interferon-Gamma Release: Utilizing MHC Class II and Peptide Sequences

Academic Background and Research Significance In recent decades, therapeutic proteins have gained prominence as a research focus in the biopharmaceutical industry due to their huge potential in medicine. With their high targeting ability, therapeutic protein drugs are considered to offer solutions for many acute or chronic diseases (such as certain...

Chemical Space-Property Predictor Model of Perovskite Materials by High-Throughput Synthesis and Artificial Neural Networks

Chemical Space-Property Predictor Model of Perovskite Materials by High-Throughput Synthesis and Artificial Neural Networks

Academic Background Perovskite materials have attracted extensive attention due to their wide applications in solar cells and other electronic devices. Their optical properties (such as bandgap and lattice vibrations) can be flexibly modulated by tuning the chemical composition. Although the prediction of optical properties from perovskite structur...

A Sparse Bayesian Committee Machine Potential for Oxygen-Containing Organic Compounds

Academic Background In the fields of materials science and chemistry, understanding the properties of materials at the atomic level is crucial. However, traditional methods for calculating interatomic potentials, such as Density Functional Theory (DFT), while highly accurate, are computationally expensive and difficult to apply to large-scale syste...

Scaling of Hardware-Compatible Perturbative Training Algorithms

With the rapid development of artificial intelligence (AI) technology, artificial neural networks (ANNs) have achieved significant success in multiple fields. However, traditional neural network training methods—especially the backpropagation algorithm—face numerous challenges in hardware implementation. Although the backpropagation algorithm is ef...

Probing Nanoscale Structural Perturbation in a WS2 Monolayer via Explainable Artificial Intelligence

Background Introduction Two-dimensional (2D) materials exhibit significant potential in fields such as nanoelectronics and optoelectronics due to their unique physical and chemical properties. However, structural perturbations at the nanoscale have a profound impact on their performance. Traditional characterization methods like Raman spectroscopy,...