Results 151 to 160 of about 149,463 (272)

FIRE‐GNN: Force‐Informed, Relaxed Equivariance Graph Neural Network for Rapid and Accurate Prediction of Surface Properties

Advanced Intelligent Discovery, EarlyView.
This study introduces FIRE‐GNN, a force‐informed, relaxed equivariant graph neural network for predicting surface work functions and cleavage energies from slab structures. By incorporating surface‐normal symmetry breaking and machine learning interatomic potential‐derived force information, the approach achieves state‐of‐the‐art accuracy and enables ...
Circe Hsu, Claire Schlesinger, Karan Mudaliar, Jordan Leung, Robin Walters, Peter Schindler   +5 more
wiley   +1 more source

iGraphCTC: an inter-connected graph convolutional network for comprehensive clinical trial collaborations. [PDF]

Sci Rep
Jang J, Ahn H, Park E.
europepmc   +1 more source

Sampling Strategy: An Overlooked Factor Affecting Artificial Intelligence Prediction Accuracy of Peptides’ Physicochemical Properties

Advanced Intelligent Discovery, EarlyView.
This study reveals that sampling strategy (i.e., sampling size and approach) is a foundational prerequisite for building accurate and generalizable AI models in peptide discovery. Reaching a threshold of 7.5% of the total tetrapeptide sequence space was essential to ensure reliable predictions.
Meiru Yan, Ankeer Abuduhebaier, Haojin Zhou, Jiaqi Wang   +3 more
wiley   +1 more source

DeepLMI: deep feature mining with a globally enhanced graph convolutional network for robust lncRNA-miRNA interaction prediction. [PDF]

Bioinformatics
Huang Z, Chen K, Wang X, Wang J, Shen S, Zhang Y, Wu M, Deng L.   +7 more
europepmc   +1 more source

Advancing Efficient Error Reduction in DNA Data Storage Systems with Deep Learning‐Based Denoising Models

Advanced Intelligent Discovery, EarlyView.
Deep learning‐based denoising models are applied to DNA data storage systems to enhance error reduction and data fidelity. By integrating DnCNN with DNA sequence encoding methods, the study demonstrates significant improvements in image quality and correction of substitution errors, revealing a promising path toward robust and efficient DNA‐based ...
Seongjun Seo, Anshula Tandon, Nguyen Kim Uyen, Quoc Nam Le, Jee‐Hyong Lee, Sung Ha Park   +5 more
wiley   +1 more source

ADMGCN: graph convolutional network for Alzheimer's disease diagnosis with a meta-learning paradigm. [PDF]

Bioinformatics
Sun X, Li J, Yan G, Han R.
europepmc   +1 more source

Automating AI Discovery for Biomedicine Through Knowledge Graphs and Large Language Models Agents

Advanced Intelligent Discovery, EarlyView.
This work proposes a novel framework that automates biomedical discovery by integrating knowledge graphs with multiagent large language models. A biologically aligned graph exploration strategy identifies hidden pathways between biomedical entities, and specialized agents use this pathway to iteratively design AI predictors and wet‐lab validation ...
Naafey Aamer, Muhammad Nabeel Asim, Shan Munir, Andreas Dengel   +3 more
wiley   +1 more source

DWGCN: distance-weighted graph convolutional network for robust spatial domain identification in spatial transcriptomics. [PDF]

Front Genet
Peng C, Li G, Wu J, Fan Q, Guo X.
europepmc   +1 more source

A Unifying Approach to Self‐Organizing Systems Interacting via Conservation Laws

Advanced Intelligent Discovery, EarlyView.
The article develops a unified way to model and analyze self‐organizing systems whose interactions are constrained by conservation laws. It represents physical/biological/engineered networks as graphs and builds projection operators (from incidence/cycle structure) that enforce those constraints and decompose network variables into constrained versus ...
F. Barrows, G. Zhang, S. Anand, Z. Chen, J. Lin, A. Desai, S. Martiniani, F. Caravelli   +7 more
wiley   +1 more source

Toward Predictable Nanomedicine: Current Forecasting Frameworks for Nanoparticle–Biology Interactions

Advanced Intelligent Discovery, EarlyView.
Predictive models successfully screen nanoparticles for toxicity and cellular uptake. Yet, complex biological dynamics and sparse, nonstandardized data limit their accuracy. The field urgently needs integrated artificial intelligence/machine learning, systems biology, and open‐access data protocols to bridge the gap between materials science and safe ...
Mariya L. Ivanova, Michael Nicholls, Nicola Russo, Gueorgui Mihaylov, Konstantin Nikolic   +4 more
wiley   +1 more source