2 citations · 2 across the 8 of their papers we have counts for
9 papers
Generative and multimodal AI for materials prediction and design: Progress, challenges, and perspectives
Xianyuan Liu, Charles Anjah, Benjamin E. Jolly +9
Artificial intelligence (AI) is accelerating materials prediction and design by enabling efficient exploration of chemical and structural spaces, with particular promise for novel…
Interpretable Multimodal Learning for Tumor Protein-Metal Binding: Progress, Challenges, and Perspectives
Xiaokun Liu, Sayedmohammadreza Rastegari, Yijun Huang +12
In cancer therapeutics, protein-metal binding mechanisms critically govern the pharmacokinetics and targeting efficacy of drugs, thereby fundamentally shaping the rational design o…
Towards deployment-centric multimodal AI beyond vision and language
Xianyuan Liu, Jiayang Zhang, Shuo Zhou +45
Multimodal artificial intelligence (AI) integrates diverse types of data via machine learning to improve understanding, prediction, and decision-making across disciplines such as h…
Classifying the Stoichiometry of Virus-like Particles with Interpretable Machine Learning
Jiayang Zhang, Xianyuan Liu, Wei Wu +6
Virus-like particles (VLPs) are valuable for vaccine development due to their immune-triggering properties. Understanding their stoichiometry, the number of protein subunits to for…
Co-Evolution-Based Metal-Binding Residue Prediction with Graph Neural Networks
Sayedmohammadreza Rastegari, Sina Tabakhi, Xianyuan Liu +3
Understanding protein-metal interactions is central to structural biology, with metal ions being vital for catalysis, stability, and signal transduction. Predicting metal-binding r…
Mask prior-guided denoising diffusion improves inverse protein folding
Peizhen Bai, Filip Miljković, Xianyuan Liu +4
Inverse protein folding generates valid amino acid sequences that can fold into a desired protein structure, with recent deep-learning advances showing strong potential and competi…
Multimodal Variational Autoencoder for Low-cost Cardiac Hemodynamics Instability Detection
Mohammod N. I. Suvon, Prasun C. Tripathi, Wenrui Fan +7
Recent advancements in non-invasive detection of cardiac hemodynamic instability (CHDI) primarily focus on applying machine learning techniques to a single data modality, e.g. card…
MeDSLIP: Medical Dual-Stream Language-Image Pre-training with Pathology-Anatomy Semantic Alignment
Wenrui Fan, Mohammod N. I. Suvon, Shuo Zhou +6
Pathology and anatomy are two essential groups of semantics in medical data. Pathology describes what the diseases are, while anatomy explains where the diseases occur. They descri…
Geometry-aware Line Graph Transformer Pre-training for Molecular Property Prediction
Peizhen Bai, Xianyuan Liu, Haiping Lu
Molecular property prediction with deep learning has gained much attention over the past years. Owing to the scarcity of labeled molecules, there has been growing interest in self-…