Cher Tian Ser

dblp:243/4890 · 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
Optimization for machine learning · 67% Language models and text generation · 33%
Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%

Topics — the 4 heaviest of 4, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Machine learning › Optimization for machine learning
black-box optimization
0.912025
Efficient Evolutionary Search Over Chemical Space with Large Language Models · ICLR 2025
Machine learning › Optimization for machine learning
evolutionary computation
0.912025
Efficient Evolutionary Search Over Chemical Space with Large Language Models · ICLR 2025
Natural language and speech › Language models and text generation
large language model
0.912025
Efficient Evolutionary Search Over Chemical Space with Large Language Models · ICLR 2025
Bioinformatics and computational biology
molecule discovery
0.912025
Efficient Evolutionary Search Over Chemical Space with Large Language Models · ICLR 2025

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

large language model · 1.7evolutionary algorithm · 1.7
YearPublicationVenuePosition
2025 Efficient Evolutionary Search Over Chemical Space with Large Language Models
abstract
Molecular discovery, when formulated as an optimization problem, presents significant computational challenges because optimization objectives can be non-differentiable. Evolutionary Algorithms (EAs), often used to optimize black-box objectives in molecular discovery, traverse chemical space by performing random mutations and crossovers, leading to a large number of expensive objective evaluations. In this work, we ameliorate this shortcoming by incorporating chemistry-aware Large Language Models (LLMs) into EAs. Namely, we redesign crossover and mutation operations in EAs using LLMs trained on large corpora of chemical information. We perform extensive empirical studies on both commercial and open-source models on multiple tasks involving property optimization, molecular rediscovery, and structure-based drug design, demonstrating that the joint usage of LLMs with EAs yields superior performance over all baseline models across single- and multi-objective settings. We demonstrate that our algorithm improves both the quality of the final solution and convergence speed, thereby reducing the number of required objective evaluations.
Haorui Wang, Marta Skreta, Cher Tian Ser, Wenhao Gao 0001, Felix Strieth-Kalthoff, Chenru Duan, Yuchen Zhuang, Yue Yu 0001, Yanqiao Zhu 0001, Yuanqi Du, Alán Aspuru-Guzik, Kirill Neklyudov, Chao Zhang 0014
ICLR3