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Rebecca D. Langdon

dblp:408/0952 · DBLP profile ↗
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1ranked-venue papers
0as first author
1since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Artificial intelligence and machine learning · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Artificial intelligence
1 paper
Transfer learning and domain adaptation · 77% Efficient and distributed learning · 23%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Computational science and engineering · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Transfer learning and domain adaptation
few-shot learning
0.912025
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning · NeurIPS 2025
Computational science and engineering
chemistry
0.912025
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning · NeurIPS 2025
Machine learning › Efficient and distributed learning
active learning
0.312025
The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning · NeurIPS 2025

Methods — techniques the papers use, named apart from their topics

transfer learning · 1.7regression · 1.7feature engineering · 1.7active learning · 1.7
YearPublicationVenuePosition
2025 The Catechol Benchmark: Time-series Solvent Selection Data for Few-shot Machine Learning
abstract
Machine learning has promised to change the landscape of laboratory chemistry, with impressive results in molecular property prediction and reaction retro-synthesis. However, chemical datasets are often inaccessible to the machine learning community as they tend to require cleaning, thorough understanding of the chemistry, or are simply not available. In this paper, we introduce a novel dataset for yield prediction, providing the first-ever transient flow dataset for machine learning benchmarking, covering over 1200 process conditions. While previous datasets focus on discrete parameters, our experimental set-up allow us to sample a large number of continuous process conditions, generating new challenges for machine learning models. We focus on solvent selection, a task that is particularly difficult to model theoretically and therefore ripe for machine learning applications. We showcase benchmarking for regression algorithms, transfer-learning approaches, feature engineering, and active learning, with important applications towards solvent replacement and sustainable manufacturing.
Toby Boyne, Juan S. Campos, Rebecca D. Langdon, Jixiang Qing, Yilin Xie, Shiqiang Zhang, Calvin Tsay, Ruth Misener, Daniel W. Davies, Kim E. Jelfs, Sarah Boyall, Thomas M. Dixon, Linden Schrecker, Jose Pablo Folch
NeurIPS3