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X-ray spectral fitting in high-energy astrophysics can be reliably accelerated using Machine Learning. In particular, Simulation-based Inference (SBI) produces accurate posterior distributions in the Gaussian and Poisson regime for…

Instrumentation and Methods for Astrophysics · Physics 2025-07-09 Simon Dupourqué , Didier Barret

Neural Posterior Estimation (NPE) enables rapid parameter inference for complex simulators with intractable likelihoods. NPE trains an inference network to estimate a probability density over parameters given data, typically assumed to be…

Machine Learning · Computer Science 2026-05-14 Jan Boelts , Cornelius Schröder , Jonas Beck , Jakob H. Macke , Michael Deistler , Daniel Gedon

Simulation-based inference (SBI) enables amortized Bayesian inference by first training a neural posterior estimator (NPE) on prior-simulator pairs, typically through low-dimensional summary statistics, which can then be cheaply reused for…

Machine Learning · Statistics 2026-02-11 Sherman Khoo , Dennis Prangle , Song Liu , Mark Beaumont

Simulation-based inference (SBI) enables Bayesian analysis when the likelihood is intractable but model simulations are available. Recent advances in statistics and machine learning, including Approximate Bayesian Computation and deep…

Methodology · Statistics 2025-09-15 Haoyu Jiang , Yuexi Wang , Yun Yang

Spatio-temporal process models are often used for modeling dynamic physical and biological phenomena that evolve across space and time. These phenomena may exhibit environmental heterogeneity and complex interactions that are difficult to…

Methodology · Statistics 2026-01-06 Pratik Nag , Andrew Zammit-Mangion , Sumeetpal Singh , Noel Cressie

We propose the Factorized Fourier Neural Operator (F-FNO), a learning-based approach for simulating partial differential equations (PDEs). Starting from a recently proposed Fourier representation of flow fields, the F-FNO bridges the…

Machine Learning · Computer Science 2023-03-03 Alasdair Tran , Alexander Mathews , Lexing Xie , Cheng Soon Ong

Modeling complex systems using standard neural ordinary differential equations (NODEs) often faces some essential challenges, including high computational costs and susceptibility to local optima. To address these challenges, we propose a…

Machine Learning · Computer Science 2024-05-24 Xin Li , Jingdong Zhang , Qunxi Zhu , Chengli Zhao , Xue Zhang , Xiaojun Duan , Wei Lin

With the next generation of both electromagnetic and gravitational wave observatories beginning to come online, rapid analysis methods for kilonova data are becoming increasingly important in astronomy. Traditional Bayesian parameter…

Instrumentation and Methods for Astrophysics · Physics 2026-05-15 Stephanie M. Brown , Mattia Bulla , Hiranya V. Peiris , Nikhil Sarin , Daniel Mortlock , Stephen Thorp , Gurjeet Jagwani , Stephan Rosswog , Samaya Nissanke

Single-molecule force spectroscopy (smFS) is a powerful approach to studying molecular self-organization. However, the coupling of the molecule with the ever-present experimental device introduces artifacts, that complicates the…

Chemical Physics · Physics 2023-04-25 Lars Dingeldein , Pilar Cossio , Roberto Covino

Building on the recent trend of new deep generative models known as Normalizing Flows (NF), simulation-based inference (SBI) algorithms can now efficiently accommodate arbitrary complex and high-dimensional data distributions. The…

Machine Learning · Statistics 2022-11-28 Julia Linhart , Alexandre Gramfort , Pedro L. C. Rodrigues

A plentitude of applications in scientific computing requires the approximation of mappings between Banach spaces. Recently introduced Fourier Neural Operator (FNO) and Deep Operator Network (DeepONet) can provide this functionality. For…

Numerical Analysis · Mathematics 2024-04-02 V. Fanaskov , I. Oseledets

Driven by steady progress in deep generative modeling, simulation-based inference (SBI) has emerged as the workhorse for inferring the parameters of stochastic simulators. However, recent work has demonstrated that model misspecification…

Computationally efficient surrogates for parametrized physical models play a crucial role in science and engineering. Operator learning provides data-driven surrogates that map between function spaces. However, instead of full-field…

Machine Learning · Computer Science 2024-12-31 Daniel Zhengyu Huang , Nicholas H. Nelsen , Margaret Trautner

Black-box simulators are widely used in robotics, but optimizing their parameters remains challenging due to inaccessible likelihoods. Simulation-Based Inference (SBI) tackles this issue using simulation-driven approaches, estimating the…

Robotics · Computer Science 2025-10-20 Gahee Kim , Takamitsu Matsubara

We present Sequential Neural Variational Inference (SNVI), an approach to perform Bayesian inference in models with intractable likelihoods. SNVI combines likelihood-estimation (or likelihood-ratio-estimation) with variational inference to…

Machine Learning · Statistics 2022-10-20 Manuel Glöckler , Michael Deistler , Jakob H. Macke

Fourier Neural Operators (FNOs) have demonstrated exceptional accuracy in mapping functional spaces by leveraging Fourier transforms to establish a connection with underlying physical principles. However, their opaque inner workings often…

Fluid Dynamics · Physics 2025-11-04 Marco Cayuela , Vincent Le Chenadec , Peter Schmid , Taraneh Sayadi

Real-time monitoring of induced seismicity is critical to mitigate operational risks, relying on the rapid and accurate classification of triggered data from continuous data streams. Deep learning models are effective for this purpose but…

Geophysics · Physics 2026-04-14 Ayrat Abdullin , Umair bin Waheed , Leo Eisner , Abdullatif Al-Shuhail

Neural operators (NOs) are designed to learn maps between infinite-dimensional function spaces. We propose a novel reframing of their use. By introducing an auxiliary base-space, any finite-dimensional function can be viewed as an operator…

Machine Learning · Computer Science 2026-05-11 Vasilis Niarchos , Angelos Sirbu , Sokratis Trifinopoulos

Single-molecule experiments are a unique tool to characterize the structural dynamics of biomolecules. However, reconstructing molecular details from noisy single-molecule data is challenging. Simulation-based inference (SBI) integrates…

Chemical Physics · Physics 2024-10-22 Lars Dingeldein , Pilar Cossio , Roberto Covino

Simulation-based Inference (SBI) is a widely used set of algorithms to learn the parameters of complex scientific simulation models. While primarily run on CPUs in HPC clusters, these algorithms have been shown to scale in performance when…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-06-30 Sourabh Kulkarni , Csaba Andras Moritz