Yu Zhang

PhD Researcher in Chemical and Process Engineering · University of Surrey

prof_pic.jpg

Guildford, United Kingdom

School of Chemistry and Chemical Engineering

AI for science · Formulation engineering · Dermal drug delivery

I develop AI-enabled methods for faster, more reliable skin product formulation design. My PhD research combines probabilistic machine learning, active learning, optimisation, interpretable modelling and automated experimentation with in vitro release and permeation testing.

The long-term goal is an assay-aware digital twin that can learn from limited experimental data, quantify uncertainty, select informative formulations, stop unpromising experiments early and turn data into interpretable scientific knowledge.

10peer-reviewed papers
4PhD-led journal outputs
2023-27doctoral programme
Opencode and reproducibility

Research programme

Measure

IVRT and IVPT experiments generate time-resolved evidence about drug release and permeation from topical formulations.

Learn

Gaussian processes and hybrid models learn formulation-performance relationships while preserving predictive uncertainty.

Decide

Active learning, Bayesian optimisation and early stopping focus each experimental batch on the most useful decisions.

Explain

Domain-constrained symbolic regression and scientific LLMs connect predictions with mechanisms and literature evidence.

Current research directions

  • Adaptive formulation optimisation - allocating small experimental batches between performance-seeking and information-seeking candidates.
  • Early experimental decision-making - forecasting final outcomes from partial IVPT/IVRT trajectories and controlling false stops.
  • Interpretable dynamic modelling - embedding physical and mathematical constraints into symbolic regression for drug-release kinetics.
  • Scientific LLM systems - extracting traceable formulation and permeation evidence from literature and building reusable research datasets.
Current build
SkinMiner is an LLM-powered framework for mining dermal formulation evidence with provenance, verification and structured outputs. Visit the project →

Background

I am a PhD researcher in Chemical and Process Engineering at the University of Surrey, supervised by Professor Tao Chen and Dr Dimitrios Tsaoulidis. Before joining Surrey, I completed an MEng in Control Science and Engineering at China University of Petroleum - Beijing and a BEng in Automation at Panzhihua University.

My earlier work addressed industrial process monitoring, few-shot learning, fault diagnosis and operational optimisation. That background now informs my approach to data-scarce formulation science: models should be useful under real experimental constraints, not only accurate on a tidy benchmark.

Gaussian processesActive learningBayesian optimisationSymbolic regressionUncertainty quantificationLLMsDigital twinsIVRT / IVPTPython

news

Aug 03, 2026 Our domain knowledge constrained symbolic regression framework for interpretable dermal formulation optimisation is now published in Pharmaceutical Research. Paper
Jul 14, 2026 Our active learning framework for adaptive dermal formulation optimisation was accepted by Chemical Engineering Research and Design. Paper · Code
Jun 06, 2025 Our early decision-making algorithm for accelerating topical formulation experiments is now available in Computers & Chemical Engineering. Paper · Code
Jan 06, 2025 Started a UK Turing Scheme research placement at West China Hospital, Sichuan University, extending my work on AI-enabled healthcare research.

selected publications

  1. Pharm. Res.
    Domain Knowledge Constrained Symbolic Regression for Optimising Dermal Drug Formulations
    Yu Zhang, Xilu Wang, Dimitrios Tsaoulidis, and 1 more author
    Pharmaceutical Research, 2026
  2. Active learning-based adaptive optimisation for developing dermal drug formulations
    Yu Zhang, Yongrui Xiao, Xilu Wang, and 2 more authors
    Chemical Engineering Research and Design, 2026
  3. AID
    Autonomous AI-Driven Design for Skin Product Formulations
    Yu Zhang, Yongrui Xiao, Chunlin Chen, and 3 more authors
    Advanced Intelligent Discovery, 2026
  4. An early decision-making algorithm for accelerating topical drug formulation optimisation
    Yu Zhang, Yongrui Xiao, Dimitrios Tsaoulidis, and 1 more author
    Computers & Chemical Engineering, 2025