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@MISC{Bazarova:1052327,
author = {Bazarova, Alina and Robledo, Jose Ignacio and Kesselheim,
Stefan},
title = {{S}imulation-{B}ased {I}nference for {C}omputational
{B}iology: {I}ntegrating {AI}, {B}ayesian {M}odeling, and
{HPC}},
reportid = {FZJ-2026-00935},
year = {2025},
abstract = {This tutorial introduces Simulation-Based Inference (SBI),
a framework combining Bayesian modeling, AI techniques, and
high-performance computing (HPC) to address key challenges
in computational biology, such as performing reliable
inference with limited data by using AI-based approximate
Bayesian computation. Moreover, it tackles the problem of
intractable likelihood functions, thereby allowing to
utilize Bayesian inference for biological systems with
multiple sources of stochasticity. The tutorial also
demonstrates how to leverage HPC environments to drastically
reduce inference runtimes, making it highly relevant for
large-scale biological problems. This tutorial bridges
theoretical foundations with hands-on applications in
computational biology. Participants will learn to implement
SBI frameworks using diverse biological models, such as
molecular dynamics simulations, agent-based tumor growth
models, count data modeling, and Lotka-Volterra systems.
Practical exercises in Jupyter notebooks guide attendees
through SBI workflows, from simple coin-flipping examples to
more complex biological simulations, ensuring accessibility
for participants with varied backgrounds. The tutorial’s
inclusion of cutting-edge methods like Sequential Neural
Posterior Estimation and its emphasis on parallelization and
HPC scalability align closely with the scientific
community's focus on innovation in computational biology. A
previous iteration of the tutorial at the Helmholtz AI
Conference 2024 received excellent reviews and led to
interdisciplinary discussions, highlighting its broad
applicability and impact. For this conference, the content
has been further refined with additional examples relevant
to the community, ensuring it meets the needs of
bioinformatics researchers.},
month = {Apr},
date = {2025-04-17},
organization = {ISCB-AFRICA ASBCB 2025, Capetown
(South Africa), 17 Apr 2025 - 17 Apr
2025},
subtyp = {Other},
cin = {JSC},
cid = {I:(DE-Juel1)JSC-20090406},
pnm = {5112 - Cross-Domain Algorithms, Tools, Methods Labs (ATMLs)
and Research Groups (POF4-511) / Helmholtz AI Consultant
Team FB Information (E54.303.11)},
pid = {G:(DE-HGF)POF4-5112 / G:(DE-Juel-1)E54.303.11},
typ = {PUB:(DE-HGF)17},
url = {https://juser.fz-juelich.de/record/1052327},
}