Agustinus Kristiadi
Agustinus Kristiadi is a machine learning researcher whose work applies uncertainty-aware methods to scientific problems. He studied software engineering at Atma Jaya and computer science at Bonn and Tübingen. His work includes Bayesian neural-network uncertainty, the laplace PyTorch library and FlashMD for molecular dynamics. He is an assistant professor at Western University and a Faculty Affiliate at the Vector Institute; he joined both roles in July 2025.
- Now at
- Western University and Vector Institute
- Badges
- Links
- Website, Google Scholar, X, LinkedIn and GitHub
Timeline
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2009–2019
Early study and software work
He earns a B.Eng. in software engineering at Universitas Atma Jaya Yogyakarta in 2013. He works as a software engineer at GDP Venture from 2013 to 2015. At the University of Bonn, he earns an M.Sc. in computer science in 2019 under Asja Fischer and Jens Lehmann.
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2019–2023
PhD at Tübingen
From June 2019 to January 2023, he completes a computer science PhD at the University of Tübingen under Philipp Hennig and Matthias Hein.
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2020
Bayesian confidence for ReLU nets
In 2020, he coauthors Being Bayesian, Even Just a Bit, Fixes Overconfidence in ReLU Networks. The paper shows that approximate Gaussian distributions over ReLU-network weights fix the overconfidence problem.
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2021
Laplace Redux for PyTorch
In 2021, he coauthors Laplace Redux - Effortless Bayesian Deep Learning. The paper reviews efficient Laplace variants and introduces the laplace software library for PyTorch.
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2023–2025
Vector postdoc and thesis award
From February 2023 to June 2025, he works as a Distinguished Postdoctoral Fellow at the Vector Institute with Alán Aspuru-Guzik and Pascal Poupart. In 2023, the German Research Foundation's Theoretical Foundations of Deep Learning program awards him its Best PhD Thesis award.
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2025
FlashMD for molecular dynamics
In 2025, he coauthors FlashMD, a NeurIPS Spotlight paper on molecular dynamics. The method predicts positions and momenta over strides one to two orders of magnitude longer than typical molecular-dynamics time steps.
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2026
AISTATS 2026 chair
In 2026, he serves as AISTATS Sponsorship Chair.
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Since 2025
Western and Vector appointments
Since July 2025, he is an assistant professor in Western University's Department of Computer Science and a Faculty Affiliate at the Vector Institute. His research focuses on probabilistic machine learning, uncertainty quantification, decision-making under uncertainty and AI for science.
Career
- Since 2025Western UniversityAssistant Professor
- Since 2023Vector InstituteDistinguished Postdoctoral Fellow, Faculty Affiliate
- 2013–2015GDP VentureSoftware Engineer
Education
- 2023University of TübingenPhD
- 2019University of BonnM.Sc.
- 2013Atma Jaya University YogyakartaB.Eng.
Sources and credits
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- CV - Agustinus Kristiadi
- Being Bayesian, Even Just a Bit, Fixes Overconfidence in ReLU Networks
- Laplace Redux -- Effortless Bayesian Deep Learning
- Publications - Agustinus Kristiadi
- Agustinus Kristiadi - Vector Institute
- FlashMD: long-stride, universal prediction of molecular dynamics
- Agustinus Kristiadi
- AISTATS 2026
- Agustinus Kristiadi - Computer Science - Western University

