arXiv Machine Learning

Flow Matching Calibration for Simulation-Based Inference under Model Misspecification

arXiv:2509. 23385v5 Announce Type: replace-cross Abstract: Simulation-based inference (SBI) is transforming experimental sciences by enabling parameter estimation in complex non-linear models from simulated data.

arXiv Machine Learning
Sep 3

Source Distribution Estimation by Posterior Averaging

The paper introduces a new approach to source distribution estimation (SDE) in simulation-based science, addressing limitations of existing methods that rely on a fixed surrogate likelihood. By employing an expectation‑maximization framework, the authors iteratively train an amortized posterior on fresh simulations (E‑step) and refit the source distribution to the posterior’s average (M‑step). Two parameterizations are explored: separate source and posterior flows, and a single shared conditional flow, with experiments on three benchmark tasks showing improved performance over fixed surrogate and iterated baseline methods, notably achieving higher data‑space C2ST scores on the Lotka–Volterra benchmark.

By Trung-Dung Hoang, Lisa M. Koch
arXiv Machine Learning
Aug 28

Cross-simulator transfer with foundation model summaries: Towards robust SKA-era reionization inference

The paper demonstrates that a self‑supervised Vision Transformer (ViT) pretrained on a fast, low‑cost semi‑numerical simulator can produce data summaries that transfer across different simulators without retraining. In 21cm cosmology, the ViT—named SKATR—pretrained on 67,000 21cmFAST lightcones is applied unchanged to hydrodynamical Loreli II lightcones, enabling accurate inference of five astrophysical parameters with fewer radiative‑transfer simulations than a fully‑supervised baseline. SKATR remains accurate, informative, and calibrated even under realistic SKA antenna array noise, outperforming supervised models retrained on noisy data.

By Yannic Pietschke, Caroline Heneka, Ayodele Ore, Romain Meriot
arXiv Machine Learning
Sep 18

PosteriorBench: From Point Estimates to Posterior Matching in Evaluating Generative Inverse Solvers

PosteriorBench is a new benchmark that evaluates how well generative inverse solvers recover full posterior distributions rather than just a single reconstruction. It tests four physics-based inverse problems—Darcy flow inversion, Poisson source recovery, carbon capture and storage, and light transport material inference—using high-fidelity reference posteriors generated by rejection sampling and MCMC. The benchmark employs five metrics (posterior-mean error, posterior-standard-deviation error, maximum mean discrepancy, sliced Wasserstein distance, and radially averaged power-spectrum error) to assess pointwise accuracy, uncertainty, distributional alignment, and global frequency fidelity, revealing significant distribution-matching gaps in current solvers and highlighting the importance of neural operators, guidance weights, and generation noise for posterior-variance calibration.

By Jiachen Yao, Zi-Siang Hsu, Xi Deng, Aditi Gupta, Xin Ju, Sally M Benson, Gege Wen, Anima Anandkumar
arXiv AI
Sep 2

Training-Free Refinement of Flow Matching with Divergence-based Sampling

The paper introduces Flow Divergence Sampler (FDS), a training‑free method that refines intermediate states in flow‑matching models by using the divergence of the marginal velocity field to detect and correct misguidance toward low‑density regions. FDS operates during inference, requires no additional training, and can be applied as a plug‑and‑play module with standard solvers and existing flow backbones. Experiments show that FDS consistently improves fidelity in tasks such as text‑to‑image synthesis and inverse problems.

By Yeonwoo Cha, Jaehoon Yoo, Semin Kim, Yunseo Park, Jinhyeon Kwon, Seunghoon Hong