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Papers matching “data augmentation” in Machine Learning in Materials Science 12

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Exploring data augmentation: Multi-task methods for molecular property prediction
2025 Computers & Chemical Engineering article Materials Science Machine Learning in Materials Science Open access

Timo Gervens, Alexander Mitsos, Martin Grohe, Jan G. Rittig

2

citations
Empowering Reactivity Predictions through Noise-Based Data Augmentation
2025 Journal of the American Chemical Society article Materials Science Machine Learning in Materials Science

Julian A. Hueffel, Quentin P. Bindschaedler, Francesco Sala, Franziska Schoenebeck

16

citations
Predicting the dissolution of metal-based nanoparticles by means of QSPRs and the effect of data augmentation
2025 NanoImpact article Materials Science Machine Learning in Materials Science Open access

Yuchao Song, Surendra Balraadjsing, Willie J.G.M. Peijnenburg, Martina G. Vijver

13

citations
Deep Neural Networks for Analysis of Microscopy Images—Synthetic Data Generation and Adaptive Sampling
2021 Crystals article Materials Science Machine Learning in Materials Science Open access cited by 3 patents

Patrick Trampert, Dmitri Rubinstein, Faysal Boughorbel, Christian Schlinkmann, Maria Luschkova, Philipp Slusallek, +2 more

40

citations
Deep Neural Networks for Analysis of Microscopy Images—Synthetic Data Generation and Adaptive Sampling
2021 article Materials Science Machine Learning in Materials Science Open access

Patrick Trampert, Dmitri Rubinstein, Faysal Boughorbel, Christian Schlinkmann, Maria Luschkova, Philipp Slusallek, +2 more

0

citations
A pragmatic dataset augmentation approach for transformation temperature prediction in steels
2020 Computational Materials Science article Materials Science Machine Learning in Materials Science

Claas Hüter, Stefan Braun

8

citations
Sequential EXtreme Gradient Boosting-Based Descriptor Reduction for Size Prediction of Zwitterionic Polymer-Based Nanoparticles
2025 ACS Omega article Materials Science Machine Learning in Materials Science Open access

Sima Rezvantalab, Sara Mihandoost, Roger M. Pallares, Fabian M. Kiessling

1

citations
Exploring Chemistry and Catalysis by Biasing Skewed Distributions via Deep Learning
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Zhikun Zhang, GiovanniMaria Piccini

1

citations
Exploring Chemistry and Catalysis by Biasing Skewed Distributions via Deep Learning
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Zhikun Zhang, GiovanniMaria Piccini

0

citations
Exploring Chemistry and Catalysis by Biasing Skewed Distributions via Deep Learning
2025 ChemRxiv preprint Materials Science Machine Learning in Materials Science Open access

Zhikun Zhang, GiovanniMaria Piccini

0

citations
A systematic comparison of hard- and soft-constrained physics-informed molecular machine learning with the Clapeyron equation
2026 arXiv (Cornell University) preprint Materials Science Machine Learning in Materials Science Open access

Jan Pavšek, Jan G. Rittig, Alexander Mitsos

0

citations
Exploring chemistry and catalysis by biasing skewed distributions via deep learning
2026 Nature Communications article Materials Science Machine Learning in Materials Science Open access

Zhikun Zhang, GiovanniMaria Piccini

2

citations

12 results