Chemical Physics · Physics
Structure to Property: Chemical Element Embeddings and a Deep Learning Approach for Accurate Prediction of Chemical Properties
Shokirbek Shermukhamedov, Dilorom Mamurjonova, Michael Probst
2024-08-20
Machine Learning · Computer Science
Calibrated Uncertainty for Molecular Property Prediction using Ensembles of Message Passing Neural Networks
Jonas Busk, Peter Bjørn Jørgensen, Arghya Bhowmik, Mikkel N. Schmidt +2
2021-11-04
Materials Science · Physics
Interpretable Ensemble Learning for Materials Property Prediction with Classical Interatomic Potentials: Carbon as an Example
Xinyu Jiang, Haofan Sun, Kamal Choudhary, Houlong Zhuang +1
2023-08-22
Materials Science · Physics
Uncertainty-aware predictions of molecular X-ray absorption spectra using neural network ensembles
Animesh Ghose, Mikhail Segal, Fanchen Meng, Zhu Liang +6
2023-01-24
Machine Learning · Computer Science
Molecular representation learning with language models and domain-relevant auxiliary tasks
Benedek Fabian, Thomas Edlich, Héléna Gaspar, Marwin Segler +3
2020-11-30
Computer Vision and Pattern Recognition · Computer Science
Predictive Ensemble Learning with Application to Scene Text Detection
Danlu Chen, Xu-Yao Zhang, Wei Zhang, Yao Lu +2
2019-05-17
Computation and Language · Computer Science
MPNet: Masked and Permuted Pre-training for Language Understanding
Kaitao Song, Xu Tan, Tao Qin, Jianfeng Lu +1
2020-11-03
Machine Learning · Computer Science
A study on Ensemble Learning for Time Series Forecasting and the need for Meta-Learning
Julia Gastinger, Sébastien Nicolas, Dušica Stepić, Mischa Schmidt +1
2021-04-26
Machine Learning · Computer Science
Accelerating Ensemble Error Bar Prediction with Single Models Fits
Vidit Agrawal, Shixin Zhang, Lane E. Schultz, Dane Morgan
2026-03-04
Chemical Physics · Physics
GPT-MolBERTa: GPT Molecular Features Language Model for molecular property prediction
Suryanarayanan Balaji, Rishikesh Magar, Yayati Jadhav, Amir Barati Farimani
2023-10-11
Materials Science · Physics
Machine Learning for Electrode Materials: Property Prediction via Composition
Hao Wu, Cameron Hargreaves, Arpit Mishra, Gian-Marco Rignanese
2026-04-15
Machine Learning · Computer Science
Enhancing material property prediction with ensemble deep graph convolutional networks
Chowdhury Mohammad Abid Rahman, Ghadendra Bhandari, Nasser M Nasrabadi, Aldo H. Romero +1
2024-07-29
Machine Learning · Computer Science
Context-Aware Ensemble Learning for Time Series
Arda Fazla, Mustafa Enes Aydin, Orhun Tamyigit, Suleyman Serdar Kozat
2022-12-01
Computer Vision and Pattern Recognition · Computer Science
Multi-model Ensemble Learning Method for Human Expression Recognition
Jun Yu, Zhongpeng Cai, Peng He, Guocheng Xie +1
2022-03-29
Computer Vision and Pattern Recognition · Computer Science
Ensembles of Multiple Models and Architectures for Robust Brain Tumour Segmentation
Konstantinos Kamnitsas, Wenjia Bai, Enzo Ferrante, Steven McDonagh +7
2017-11-07
Machine Learning · Computer Science
Adaptive and Calibrated Ensemble Learning with Dependent Tail-free Process
Jeremiah Zhe Liu, John Paisley, Marianthi-Anna Kioumourtzoglou, Brent A. Coull
2018-12-20
Computation and Language · Computer Science
Ensemble BERT: A student social network text sentiment classification model based on ensemble learning and BERT architecture
Kai Jiang, Honghao Yang, Yuexian Wang, Qianru Chen +1
2024-08-12
Computer Vision and Pattern Recognition · Computer Science
Meta-Ensemble Parameter Learning
Zhengcong Fei, Shuman Tian, Junshi Huang, Xiaoming Wei +1
2022-10-06
Machine Learning · Computer Science
LoRA-Ensemble: Efficient Uncertainty Modelling for Self-Attention Networks
Dominik J. Mühlematter, Michelle Halbheer, Alexander Becker, Dominik Narnhofer +3
2026-03-10
Machine Learning · Computer Science
Hyperparameter Ensembles for Robustness and Uncertainty Quantification
Florian Wenzel, Jasper Snoek, Dustin Tran, Rodolphe Jenatton
2021-01-11
Computation and Language · Computer Science
XLNet: Generalized Autoregressive Pretraining for Language Understanding
Zhilin Yang, Zihang Dai, Yiming Yang, Jaime Carbonell +2
2020-01-03