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Ke Li

Black-box Multi-objective Optimisation Computational Intelligence (CI) Bayesian Optimisation Large Language Models (LLMs) For Optimisation Software Engineering (SE)
University of Exeter Department of Computer Science

About

Scientists across the natural sciences and engineering increasingly rely on data-driven approaches to assist in critical decision-making during their discoveries. The search for a new scientific discovery can frequently be cast as a multi-objective optimisation problem that involves balancing many conflicting requirements within a vast, structured design space. For example, a biochemist seeking new therapeutics might aim to optimise the efficacy, synthesisability, and drug-likeness of compounds whilst minimising off-target effects and toxicity. Similarly, a clinician might optimise a treatment plan that maximises patient survival rates whilst minimising side effects and costs. Qualities like synthesisability are difficult to estimate in advance and require resource-intensive experimentations to measure, making these optimisation problems ‘black-box’ and particularly challenging. Substantial efforts have been made in developing black-box search algorithms (e.g., evolutionary methods, Bayesian optimisation), and employing recent large language models (LLMs) to optimise a wide range of black-box functions. All of them can be regarded as intelligent agents in multi-objective optimisation. My research has contributed to the fundamental development of computational/artificial intelligence (CI/AI) for such black-box multi-objective optimisation and decision-making problems, as well as their applications across diverse domains, such as biology, software engineering, healthcare, renewable energy etc. I have published over 150 papers in top-tier CI and AI domains. These include >41 papers in prestigious IEEE/ACM Transactions and >40 papers in top conferences across AI (e.g., NeurIPS, CVPR, AAAI, IJCAI), natural language processing (e.g., ACL, EMNLP), and software engineering (ICSE, FSE, ASE, ISSTA). My group has been well funded by a substantial and diverse research funding portfolio, the total accumulated programme is over £11.5 million (from UKRI, Royal Society, EPSRC, BBSRC, ERC, Amazon Science, Hong Kong RGC, EU Horizon, etc). In particular, my research has been well recognized and supported by several UK's highly prestigious and competitive Fellowships, including UKRI Future Leaders Fellowship (FLF, ~£2.1million in total, 2019-2027, #MR/X011135/1; MR/S017062/1), two Alan Turing Institute Fellowships (2021-2023, 2024-2026), Royal Society Kan Tong Po Fellowship (KTPF, £3K, 2023-2025, #KTP/R1/231017), and, most recently, Royal Society Faraday Discovery Fellowship (FDF, ~£8million in total where my share is ~2.5million as the Co-PI, 2025-2035, #FDF/S2/251014). I have been ranked in Stanford’s list of the World’s Top 2% Scientists since 2020. I have regularly served mainstream conferences in computational intelligence such as General Co-Chair of EMO 2027, Program Chair of IEEE CEC 2027 etc. Meanwhile, I have been Area Chair of top-tier AI conferences, e.g., AAAI, NeurIPS, and ACL. I have been in the Editorial Board of 6 academic journals including IEEE Transactions on Evolutionary Computation (IF=11.7, JCR Q1, ranked 2 of 110 in CS, Theory & Methods; 5 of 139 in CS and AI), Evolutionary Computation (IF=4.6, JCR Q1) Complex & Intelligent Systems (IF=5.0, JCR Q1), Journal of Machine Learning & Cybernetics (IF=3.1), Mathematics (IF=2.3, JCR Q1), Frontiers in Human Neuroscience (IF=2.4), and Advances in Computational Intelligence. Further, I have co-organised two special issues in Multimedia Tools Applications (IF=3.0) and Neurocomputing (IF=5.5, JCR Q1) journals. I have served as a grant reviewer nationally including UKRI FLF (2020–2025, sift panel observer since 2023), EPSRC NIA and Responsive Mode Grant (since 2023), Royal Society International Exchange panel (2025-2027), UKRI Cross Research Council Responsive Mode (2025) and EPSRC AI Hubs for Real Data interview panel (2023), UKRI Development Networks Plus Fund (2020–2022), Leverhulme Trust (2018, 2019, 2023, 2024). Further, I have served as grant reviewer internationally including Czech Science Foundation (2020), DAAD in Germany (2020), ANR in France (2022, 2023), Hong Kong RGC (2022–2025), NSERC (2025), and NSFC (2021–2025).

Research Performance Summary

210
Total Papers
9248
Total Citations
46
H-Index
2008-2026
Active Research Span

First Recorded Paper

一种改进的基于差分进化的多目标进化算法

Year: 2008

Citations: 6

Venue: 计算机工程与应用 44 (29)

Latest Recorded Paper

RIDER: 3D RNA Inverse Design with Reinforcement Learning-Guided Diffusion

Year: 2026

Citations: 0

Venue: ICLR 2026: Proceedings of the 14th International Conference on Learning

Last 10 Years Publication Activity

This timeline shows the professor's yearly publication activity.

2026
10
2025
19
2024
29
2023
29
2022
21
2021
23
2020
17
2019
10
2018
6
2017
5
2016
4

Publication Venues and Collaboration

Journal, Conference, and Book Publication Breakdown

Conference 88
Journal 49
Book 2

Top Coauthors

Chen Yang Zhang

Research Impact by Period

2025-2026

Period Stats
Papers 29
Citations 134
Avg. Citations / Paper 4.6
H-Index 7

2020-2024

Period Stats
Papers 119
Citations 3058
Avg. Citations / Paper 25.7
H-Index 30

2015-2019

Period Stats
Papers 32
Citations 4325
Avg. Citations / Paper 135.2
H-Index 26

2010-2014

Period Stats
Papers 23
Citations 1641
Avg. Citations / Paper 71.3
H-Index 14

2005-2009

Period Stats
Papers 7
Citations 90
Avg. Citations / Paper 12.9
H-Index 5

Contact and Professional Links

Contact Information

K.Li@exeter.ac.uk

Detected Research Keywords

Evolutionary Objective Optimization Evolutionary Multiobjective Optimization Constrained Objective Optimization Many Objective Optimization Surrogate Assisted Evolutionary Evolutionary Many Objective Decomposition Multiobjective Optimization Objective Evolutionary Algorithm Cross Project Defect Project Defect Prediction