AIMC Topic: Machine Learning

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AlphaFold and the future of structural biology.

IUCrJ
This editorial acknowledges the transformative impact of new machine-learning methods, such as the use of AlphaFold, but also makes the case for the continuing need for experimental structural biology.

Clinical applications of graph neural networks in computational histopathology: A review.

Computers in biology and medicine
Pathological examination is the optimal approach for diagnosing cancer, and with the advancement of digital imaging technologies, it has spurred the emergence of computational histopathology. The objective of computational histopathology is to assist...

Prediction of IDO1 Inhibitors by a Fingerprint-Based Stacking Ensemble Model Named IDO1Stack.

ChemMedChem
Indoleamine 2,3-dioxygenase 1 (IDO1) is viewed as an extremely promising target for cancer immunotherapy. Here, we proposed a two-layer stacking ensemble model, IDO1Stack, that can efficiently predict IDO1 inhibitors. First, we constructed a series o...

Learning Rates for Nonconvex Pairwise Learning.

IEEE transactions on pattern analysis and machine intelligence
Pairwise learning is receiving increasing attention since it covers many important machine learning tasks, e.g., metric learning, AUC maximization, and ranking. Investigating the generalization behavior of pairwise learning is thus of great significa...

Optimizing Two-Way Partial AUC With an End-to-End Framework.

IEEE transactions on pattern analysis and machine intelligence
The Area Under the ROC Curve (AUC) is a crucial metric for machine learning, which evaluates the average performance over all possible True Positive Rates (TPRs) and False Positive Rates (FPRs). Based on the knowledge that a skillful classifier shoul...

Augmenting Polymer Datasets by Iterative Rearrangement.

Journal of chemical information and modeling
One of the biggest obstacles to successful polymer property prediction is an effective representation that accurately captures the sequence of repeat units in a polymer. Motivated by the success of data augmentation in computer vision and natural lan...

DeXtrusion: automatic recognition of epithelial cell extrusion through machine learning in vivo.

Development (Cambridge, England)
Accurately counting and localising cellular events from movies is an important bottleneck of high-content tissue/embryo live imaging. Here, we propose a new methodology based on deep learning that allows automatic detection of cellular events and the...

FedMix: Mixed Supervised Federated Learning for Medical Image Segmentation.

IEEE transactions on medical imaging
The purpose of federated learning is to enable multiple clients to jointly train a machine learning model without sharing data. However, the existing methods for training an image segmentation model have been based on an unrealistic assumption that t...

A Dataset Auditing Method for Collaboratively Trained Machine Learning Models.

IEEE transactions on medical imaging
Dataset auditing for machine learning (ML) models is a method to evaluate if a given dataset is used in training a model. In a Federated Learning setting where multiple institutions collaboratively train a model with their decentralized private datas...

A Federated Learning System for Histopathology Image Analysis With an Orchestral Stain-Normalization GAN.

IEEE transactions on medical imaging
Currently, data-driven based machine learning is considered one of the best choices in clinical pathology analysis, and its success is subject to the sufficiency of digitized slides, particularly those with deep annotations. Although centralized trai...