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20212026
most citedMultimodal Foundation Models for Material Property Prediction and Discovery

37 citations · 77 across the 10 of their papers we have counts for

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6 papers · 1 filter

cs.LG2024★ 6 cited

QuanTA: Efficient High-Rank Fine-Tuning of LLMs with Quantum-Informed Tensor Adaptation

Zhuo Chen, Rumen Dangovski, Charlotte Loh +3

We propose Quantum-informed Tensor Adaptation (QuanTA), a novel, easy-to-implement, fine-tuning method with no inference overhead for large-scale pre-trained language models. By le…

cs.LG2023★ 37 cited

Multimodal Foundation Models for Material Property Prediction and Discovery

Viggo Moro, Charlotte Loh, Rumen Dangovski +7

Artificial intelligence is transforming computational materials science, improving the prediction of material properties, and accelerating the discovery of novel materials. Recentl…

cs.LG2023★ 1 cited

Multi-Symmetry Ensembles: Improving Diversity and Generalization via Opposing Symmetries

Charlotte Loh, Seungwook Han, Shivchander Sudalairaj +5

Deep ensembles (DE) have been successful in improving model performance by learning diverse members via the stochasticity of random initialization. While recent works have attempte…

cs.LG2022

On the Importance of Calibration in Semi-supervised Learning

Charlotte Loh, Rumen Dangovski, Shivchander Sudalairaj +5

State-of-the-art (SOTA) semi-supervised learning (SSL) methods have been highly successful in leveraging a mix of labeled and unlabeled data by combining techniques of consistency…

cs.LG2021★ 21 cited

Surrogate- and invariance-boosted contrastive learning for data-scarce applications in science

Charlotte Loh, Thomas Christensen, Rumen Dangovski +2

Deep learning techniques have been increasingly applied to the natural sciences, e.g., for property prediction and optimization or material discovery. A fundamental ingredient of s…

cs.LG2021★ 11 cited

Deep Learning for Bayesian Optimization of Scientific Problems with High-Dimensional Structure

Samuel Kim, Peter Y. Lu, Charlotte Loh +3

Bayesian optimization (BO) is a popular paradigm for global optimization of expensive black-box functions, but there are many domains where the function is not completely a black-b…