AIMC Topic: Neural Networks, Computer

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AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology.

Journal of chemical information and modeling
Rapid and accurate calculation of acid dissociation constant (p) is crucial for designing chemical synthesis routes, optimizing catalysts, and predicting chemical behavior. Despite recent progress in machine learning, predicting solvation acidity, es...

An interpretable artificial intelligence model based on CT for prognosis of intracerebral hemorrhage: a multicenter study.

BMC medical imaging
OBJECTIVES: To develop and validate a novel interpretable artificial intelligence (AI) model that integrates radiomic features, deep learning features, and imaging features at multiple semantic levels to predict the prognosis of intracerebral hemorrh...

Three-dimensional convolutional neural network-based classification of chronic kidney disease severity using kidney MRI.

Scientific reports
A three-dimensional convolutional neural network model was developed to classify the severity of chronic kidney disease (CKD) using magnetic resonance imaging (MRI) Dixon-based T1-weighted in-phase (IP)/opposed-phase (OP)/water-only (WO) imaging. Sev...

Radiological characterization of the tailings of an abandoned copper mine using a neural network and geostatistical analysis through the Co-Kriging method.

Environmental geochemistry and health
The radiological characterization of soil contaminated with natural radionuclides enables the classification of the area under investigation, the optimization of laboratory measurements, and informed decision-making on potential site remediation. Neu...

Flexible multitask computation in recurrent networks utilizes shared dynamical motifs.

Nature neuroscience
Flexible computation is a hallmark of intelligent behavior. However, little is known about how neural networks contextually reconfigure for different computations. In the present work, we identified an algorithmic neural substrate for modular computa...

Innovative infrastructure to access Brazilian fungal diversity using deep learning.

PeerJ
In the present investigation, we employ a novel and meticulously structured database assembled by experts, encompassing macrofungi field-collected in Brazil, featuring upwards of 13,894 photographs representing 505 distinct species. The purpose of ut...

CFINet: Cross-Modality MRI Feature Interaction Network for Pseudoprogression Prediction of Glioblastoma.

Journal of computational biology : a journal of computational molecular cell biology
Pseudoprogression (PSP) is a related reaction of glioblastoma treatment, and misdiagnosis can lead to unnecessary intervention. Magnetic resonance imaging (MRI) provides cross-modality images for PSP prediction studies. However, how to effectively us...

Broad learning system based on maximum multi-kernel correntropy criterion.

Neural networks : the official journal of the International Neural Network Society
The broad learning system (BLS) is an effective machine learning model that exhibits excellent feature extraction ability and fast training speed. However, the traditional BLS is derived from the minimum mean square error (MMSE) criterion, which is h...

Gradient-based optimization for quantum architecture search.

Neural networks : the official journal of the International Neural Network Society
Quantum Architecture Search (QAS) has shown significant promise in designing quantum circuits for Variational Quantum Algorithms (VQAs). However, existing QAS algorithms primarily explore circuit architectures within a discrete space, which is inhere...

PreDBP-PLMs: Prediction of DNA-binding proteins based on pre-trained protein language models and convolutional neural networks.

Analytical biochemistry
The recognition of DNA-binding proteins (DBPs) is the crucial step to understanding their roles in various biological processes such as genetic regulation, gene expression, cell cycle control, DNA repair, and replication within cells. However, conven...