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Machine learning methods in chemoinformatics

John B. O. Mitchell • Wiley Interdisciplinary Reviews Computational Molecular Science (2014)

Machine learning algorithms are generally developed in computer science or adjacent disciplines and find their way into chemical modeling by a process of diffusion. Though particular machine learning methods are popular in chemoinformatics ...

OPENALEX cc-by DOI: https://doi.org/10.1002/wcms.1183 PMC: 4180928

Hyperparameter Search in Machine Learning

Marc Claesen, Bart De Moor • arXiv (Cornell University) (2015)

We introduce the hyperparameter search problem in the field of machine learning and discuss its main challenges from an optimization perspective. Machine learning methods attempt to build models that capture some element of interest based o...

OPENALEX Open Access DOI: https://doi.org/10.48550/arxiv.1502.02127

A Prediction Model for Spot LNG Prices Based on Machine Learning Algorithms to Reduce Fluctuation Risks in Purchasing Prices

Sun-Feel Yang, So-Won Choi, Eul-Bum Lee • Energies (2023)

The ongoing Russia–Ukraine conflict has exacerbated the global crisis of natural gas supply, particularly in Europe. During the winter season, major importers of liquefied natural gas (LNG), such as South Korea and Japan, were directly affe...

DOAJ Open Access (DOAJ) DOI: 10.3390/en16114271

Comparing Clinical Metadata Fusion Strategies for Diabetic and Hypertensive Retinopathy Classification

Vinicius de Carvalho Rispoli, Alan Müller, Weverson Garcia Medeiros, Marília Miranda Forte Gomes et al. • Machine Learning and Knowledge Extraction (2026)

Structured clinical variables may complement fundus photographs, but the most appropriate point at which to integrate them into a retinal foundation model remains uncertain. This study compares an image-only baseline with three strategies f...

DOAJ Open Access (DOAJ) DOI: 10.3390/make8100299

Overfitting and undercomputing in machine learning

Thomas G. Dietterich • ACM Computing Surveys (1995)

suggests a reasonable line of research: find algorithms that can search the hypothesis class better. Hence, there is been extensive research in applying second-order methods to fit neural networks and in conducting much more thorough search...

OPENALEX Open Access DOI: https://doi.org/10.1145/212094.212114

Calibrated Machine Learning with Temporal Leakage Controls for Rare-Event Forecasting of Port Activity Anomalies: Evidence from Selected African Countries and Indonesia

Tomasz Rokicki, Piotr Bórawski, Aneta Bełdycka-Bórawska, Bogdan Klepacki • Applied Sciences (2026)

Port activity anomalies are rare but may signal operational constraints relevant to supply chains. The aim of the study was to develop and empirically evaluate a calibrated machine learning framework for forecasting rare, algorithmically de...

DOAJ Open Access (DOAJ) DOI: 10.3390/app16189017

Machine Learning

Πάνος Λουρίδας, Christof Ebert • IEEE Software (2016)

In machine learning, a computer first learns to perform a task by studying a training set of examples. The computer then performs the same task with data it hasn't encountered before. This article presents a brief overview of machine-learni...

OPENALEX DOI: https://doi.org/10.1109/ms.2016.114

A Transformer-Based Approach for Efficient Geometric Feature Extraction from Vector Shape Data

Longfei Cui, Xinyu Niu, Haizhong Qian, Xiao Wang et al. • Applied Sciences (2025)

The extraction of shape features from vector elements is essential in cartography and geographic information science, supporting a range of intelligent processing tasks. Traditional methods rely on different machine learning algorithms tail...

DOAJ Open Access (DOAJ) DOI: 10.3390/app15052383

Taxonomy-based data representation for data mining: an example of the magnitude of risk associated with H. pylori infection

Inese Polaka, Danute Razuka-Ebela, Jin Young Park, Marcis Leja • BioData Mining (2021)

Abstract Background The amount of available and potentially significant data describing study subjects is ever growing with the introduction and integration of different registries and data banks. The single specific attribute of these data...

DOAJ Open Access (DOAJ) DOI: 10.1186/s13040-021-00271-w

Context Aware Evapotranspiration (ETs) for Saline Soils Reclamation

Arfat Ahmad Khan, Muhammad Asif Nauman, Rab Nawaz Bashir, Rashid Jahangir et al. • IEEE Access (2022)

Accurate Evapotranspiration for saline soils (ETs) is important as well as challenging for the reclamation of saline soils through an effective leaching process. Evapotranspiration (ET) by FAO-56 Penman-Monteith standard method is complex, ...

DOAJ Open Access (DOAJ) DOI: 10.1109/ACCESS.2022.3206009

Machine learning-derived prediction of in-hospital mortality in patients with severe acute respiratory infection: analysis of claims data from the German-wide Helios hospital network

Johannes Leiner, Vincent Pellissier, Sebastian König, Sven Hohenstein et al. • Respiratory Research (2022)

Abstract Background Severe acute respiratory infections (SARI) are the most common infectious causes of death. Previous work regarding mortality prediction models for SARI using machine learning (ML) algorithms that can be useful for both i...

DOAJ Open Access (DOAJ) DOI: 10.1186/s12931-022-02180-w

Machine learning and deep learning

Christian Janiesch, Patrick Zschech, Kai Heinrich • Electronic Markets (2021)

Abstract Today, intelligent systems that offer artificial intelligence capabilities often rely on machine learning. Machine learning describes the capacity of systems to learn from problem-specific training data to automate the process of a...

OPENALEX cc-by DOI: https://doi.org/10.1007/s12525-021-00475-2

Effect of Word Sense Disambiguation on Neural Machine Translation: A Case Study in Korean

Quang-Phuoc Nguyen, Anh-Dung Vo, Joon-Choul Shin, Cheol-Young Ock • IEEE Access (2018)

With the advent of robust deep learning, neural machine translation (NMT) has achieved great progress and recently become the dominant paradigm in machine translation (MT). However, it is still confronted with the challenge of word ambiguit...

DOAJ Open Access (DOAJ) DOI: 10.1109/ACCESS.2018.2851281

Neurosurgery and artificial intelligence

Mohammad Mofatteh • AIMS neuroscience (2021)

Neurosurgeons receive extensive and lengthy training to equip themselves with various technical skills, and neurosurgery require a great deal of pre-, intra- and postoperative clinical data collection, decision making, care and recovery. Th...

OPENALEX cc-by DOI: https://doi.org/10.3934/neuroscience.2021025 PMC: 8611194

Artificial intelligence model to predict pregnancy and multiple pregnancy risk following in vitro fertilization-embryo transfer (IVF-ET)

Jen-Yu Wen, Chung-Fen Liu, Ming-Ting Chung, Yung-Chieh Tsai • Taiwanese Journal of Obstetrics & Gynecology (2022)

Objective: To decrease multiple pregnancy risk and sustain optimal pregnancy chance by choosing suitable number of embryos during transfer, this study aims to construct artificial intelligence models to predict the pregnancy outcome and mul...

DOAJ Open Access (DOAJ) DOI: 10.1016/j.tjog.2021.11.038

Predicting Choroidal Nevus Transformation to Melanoma Using Machine Learning

Prashant D. Tailor, MD, Piotr K. Kopinski, MD, PhD, Haley S. D’Souza, MD, David A. Leske, MS et al. • Ophthalmology Science (2025)

Purpose: To develop and validate machine learning (ML) models to predict choroidal nevus transformation to melanoma based on multimodal imaging at initial presentation. Design: Retrospective multicenter study. Participants: Patients diagnos...

DOAJ Open Access (DOAJ) DOI: 10.1016/j.xops.2024.100584

PERMEPSY: a multicentre, randomized, double-blind proof-of-concept trial of personalized metacognitive training for adults with psychosis — a study protocol

Maria Lamarca, Maria Lamarca, Maria Lamarca, Maria Lamarca et al. • Frontiers in Psychiatry (2026)

BackgroundWhile psychological interventions are effective at improving symptoms of psychosis, accessible, cost- and time-efficient treatments remain limited. Personalized medicine has emerged as a promising approach, tailoring interventions...

DOAJ Open Access (DOAJ) DOI: 10.3389/fpsyt.2026.1711659

Evaluating designers’ acceptance of AI generated content using TAM and TRI frameworks

Shao-Feng Wang, Ke-Yi Liu, Yang Liu, Fei-Yang Zhao et al. • Scientific Reports (2026)

Abstract Artificial intelligence technology, based on big data algorithms, can replace much of the repetitive and rule-based work. However, whether AI can substitute the roles of artists or designers in the art and design industry, which pr...

DOAJ Open Access (DOAJ) DOI: 10.1038/s41598-026-51244-0