arXiv Machine Learning

A perspective note on likelihood approximation and inference for complex simulation models using a chain of aggregated normalizing flows

The paper proposes a new approach to likelihood approximation for complex simulation models using a chain of aggregated normalizing flows. It describes a sequential estimation strategy where each set of bijective transformations is optimized independently, enabling scalable and controllable simulation routines for large‑scale data analysis. The framework also offers a surrogate model that facilitates sample generation, Bayesian inference, hypothesis testing, and uncertainty quantification.

arXiv Machine Learning
Jun 30

Factorizable Normalizing Flows for parameter-dependent density morphing

arXiv:2606. 30489v1 Announce Type: cross Abstract: Normalizing Flows excel at modeling a single fixed density, yet many problems across the sciences, such as high energy physics, instead require modeling how that density deforms as a function of continuous parameters: the strength of a physical effect, a calibration constant, or a source of systematic uncertainty.

By Davide Valsecchi, Mauro Doneg\`a, Rainer Wallny
arXiv Machine Learning
5d ago

Normalizing Flow Maps

The paper introduces Normalizing Flow Maps (NFM), a new class of exactly invertible pushforward maps that extend normalizing flows and flow maps by learning the integrator of an underlying dynamical system while enabling efficient exact likelihood evaluation. NFMs incorporate two consistency axes—pointwise matching for β1-based regression losses and distributional matching for aligning pushforward distributions with a forward process—allowing scalable training. Experiments on CIFAR-10, ImageNet-64, and Boltzmann Generators demonstrate that NFMs achieve state‑of‑the‑art sample quality among parameter‑matched normalizing flows and outperform prior normalizing flows on peptide benchmarks.

By Francesco M. Ruscio, Timothy James Hitge, Fred Zhangzhi Peng, Danyal Rehman, Zander W. Blasingame, Nicholas M. Boffi, Michael M. Bronstein, Alexander Tong, Avishek Joey Bose
arXiv Machine Learning
Oct 9

Transformed Samplers with Variance Reduction

The paper introduces Transformed Samplers with Variance Reduction, a method that extends exact control variate solutions from simple reference densities to general target distributions by learning a bijective change of variables, such as a normalizing flow. By training the flow to map the target close to the reference in latent space, the authors show that Markov kernels and their Poisson solutions transform accordingly, enabling explicit control variates in the latent space. The resulting estimator is consistent under mild tail conditions, and the approach also applies to importance sampling, with experiments demonstrating competitive performance against state‑of‑the‑art samplers and control variates.

By Siran Liu, Michalis Tisias, Petros Dellaportas
arXiv Machine Learning
Sep 3

Neural Variational Cut Posteriors without Upstream Data

The paper introduces NeVI‑Cut, a modular variational inference method for cut‑Bayes that does not require access to upstream data or models. It approximates the cut‑posterior by minimizing the expected downstream conditional Kullback‑Leibler divergence, using conditional normalizing flows as the variational family. The authors provide fixed‑data convergence rates, establish uniform KL approximation results for flow classes, and demonstrate the algorithm’s speed and accuracy on several applications.

By Jiafang Song, Sandipan Pramanik, Abhirup Datta
arXiv Machine Learning
5d ago

ENFR: Evidence Networks with Flow-Matched References for Amortized Simulation-Based Model Inference

The paper introduces ENFR, a method for estimating the absolute evidence ζ of a data‑generating model in Bayesian inference. It learns Bayes factors relative to a flow‑matched reference and then recovers the absolute evidence, improving over existing flow‑based baselines across multiple applications. The authors also provide a joint architecture for estimating evidences of multiple models and demonstrate its performance and scalability on diverse scientific datasets.

By Kai Lehman, Jameson Dong, Carolina Cuesta-Lazaro, Niall Jeffrey, Benjamin D. Wandelt, Francisco Villaescusa-Navarro, Sven Krippendorf, Jochen Weller
arXiv Machine Learning
Oct 16

Conditional Mean Flows: Few-Step Densities for Simulation-Based Inference

Conditional Mean Flows introduce a new approach for simulation-based inference that replaces the costly numerical integration of traditional flow matching with few-step sampling and tractable density evaluation. By identifying conditional flow maps through a mean flow objective and using independent masking, the method allows direct estimation of marginal likelihoods. Experiments demonstrate that single-step conditional mean flow density evaluation achieves error comparable to 200-step flow matching while accelerating downstream MCMC sampling by roughly 200‑fold.

By Jonas Arruda, Jan Hasenauer, Stefan T. Radev
arXiv Machine Learning
Jun 18

Generative models for decision-making under distributional shift

arXiv:2604. 04342v2 Announce Type: replace Abstract: Many data-driven decision problems are formulated using a nominal distribution estimated from historical data, while performance is ultimately determined by a deployment distribution that may be shifted, context-dependent, partially observed, or stress-induced.

By Xiuyuan Cheng, Yunqin Zhu, Yao Xie
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
Jun 16

Amortized mean-shift interacting particles

arXiv:2606. 15871v1 Announce Type: cross Abstract: Bayesian inference for inverse problems is run to evaluate integrals -- posterior expectations, tail probabilities, and risks -- across a stream of observations.

By Ali Siahkoohi