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jwtkeeble/README.md

Hi, I'm James ๐Ÿ‘‹

Computational Physicist โ€ข Machine Learning Engineer โ€ข Research Software Engineer โ€ข Scientific Computing

I develop high-performance Machine Learning and scientific computing software for computational physics research, with expertise in PyTorch, JAX, CUDA, and large-scale GPU-accelerated simulation.

My work spans Machine Learning research, HPC, GPU acceleration, optimization algorithms, and scientific software engineering.

LinkedIn Google Scholar

๐Ÿ“Š GitHub Stats


๐Ÿ† Highlights

  • PyTorch Pace-Setter Award 2023 โ€” awarded by the PyTorch Foundation for excellence in high-level contributions to the PyTorch ecosystem
  • 10,000ร— System Scaling & Optimization โ€” Co-authored a high-performance simulation package to estimate the quantum resources of wavefunctions in the computational basis, leading the native GPU-acceleration architecture; developed custom CUDA.jl kernels that expanded supported system sizes by 10,000ร— and slashed execution walltimes from months to hours. (Status: Codebase currently proprietary; scheduled for open-source release upon publication of the corresponding research article)
  • First application of ML to nuclear structure calculations โ€” published in peer-reviewed journals and presented at international conferences across Europe and the US
  • 170+ citations | h-index 6 | i10-index 3

๐Ÿ› ๏ธ Tech Stack

Machine Learning

PyTorch JAX Equinox Optax Orbax

Languages

Python Julia CUDA Bash

Systems & Dev

Linux Git SLURM CI


๐Ÿ“Œ Featured Projects

High-performance optimization framework for Neural Quantum States (NQS).

  • Implemented scalable second-order optimization strategies including KFAC and Stochastic Reconfiguration.
  • Engineered a novel optimization strategy called Decisional Gradient Descent (motivated by Game Theory), which improves numerical optimization over Stochastic Reconfiguration.

Companion code for a published paper: Drissi, M., et al. "Second-order optimization strategies for neural network quantum states." Philosophical Transactions A 382.2275 (2024): 20240057.


The first open-source application of Machine Learning to nuclear structure calculations.

  • Engineered the first application of neural networks in representing nuclear many-body systems - the deuteron.
  • Demonstrated that neural networks can represent nuclear wavefunctions to high degrees of accuracy.

Companion code for the published paper: Keeble, J. W. T., and A. Rios. "Machine learning the deuteron." Physics Letters B 809 (2020): 135743.


๐Ÿ“„ Select Publications Full List on my Google Scholar profile

  • Keeble, Lovato, Robin โ€” "Neural Quantum States in Non-Stabilizer Regimes: Benchmarks with Atomic Nuclei" โ€” arXiv:2603.28646 (2026)
  • Drissi, Keeble, Rozalรฉn Sarmiento, Rios โ€” "Second-order optimization strategies for neural network quantum states" โ€” Phil. Trans. R. Soc. A 382, 20240057 (2024)

๐Ÿ’ผ Experience

Role Organisation Period
Postdoc Researcher & Software Engineer Universitรคt Bielefeld, Germany 2024 โ€“ 2026
PhD Researcher & Software Engineer University of Surrey, UK 2018 โ€“ 2023
Research Intern Texas A&M Cyclotron Institute, USA 2017

Open to ML Engineering, Research Engineering, and Scientific Computing roles โ€” particularly in ML/AI, HPC, or quantitative research.

Pinned Loading

  1. second-order-optimization-NQS second-order-optimization-NQS Public

    Python 2 2

  2. SpinlessFermions SpinlessFermions Public

    Python 3 3

  3. machine-learning-the-deuteron machine-learning-the-deuteron Public

    Python 1 1