Simulation-Based Inference

Overview

Simulation-based inference uses a generative simulator to learn about unknown parameters when the likelihood of observed data is unavailable or too costly to compute. Methods include approximate Bayesian computation and neural posterior, likelihood, or ratio estimation, often using normalizing flows or diffusion models to produce posterior samples. These approaches are used in settings such as epidemiology, cosmology, engineering, and biological systems, and can be amortized to answer many inference queries after training. A central challenge is ensuring accurate, calibrated uncertainty when simulations are expensive or the simulator differs from reality; calibration tests, identifiability checks, and careful posterior validation remain essential.

Latest papers

87 papers21 papers in the last four weeks, up 200% on the four weeks before. 0.1% of all new papers.

May 12, 2026

Keeping Score: Adaptive, Tuning-Free Loss Weighting for Score-Augmented Neural Ratio Estimation

Neural likelihood surrogates (e.g., Neural Ratio Estimation) for stochastic process models are commonly trained via probabilistic classification on simulated data, which forces a tradeoff between surrogate quality and training costs. For structured models where the exact score ∇θlog⁡p(x∣θ)\nabla_θ\log p(x \mid θ) is available, this information can be incorporated into training by augmenting the cross-entropy loss with a score-matching term. However, the optimal weighting of the two losses is not known a priori, and selecting it by hand requires expensive tuning that undercuts the computational savings. We propose an adaptive, tuning-free algorithm that sets the score loss weights during training based on loss gradients, adding minimal overhead to standard classifier training. We evaluate our approach on case studies involving network dynamics and spatial processes, demonstrating that it improves surrogate quality at a drastically lower computational cost than generating more training data. Notably, in some cases, our approach achieves downstream inference performance equivalent to a 10x increase in training data with less than a 1.1x increase in training time.
May 8, 2026

Pre-trained Tabular Foundation Models as Versatile Summary Networks for Neural Posterior Estimation

In this work, we study TabPFN as a training-free, modular summary network for simulation-based Bayesian inference (SBI). Tabular foundation models such as TabPFN are pretrained on broad families of synthetic tabular data-generating processes and adapt at test time through in-context learning, making them natural candidates for SBI, where posterior estimation often depends on learning informative summaries of simulated observations. We propose PFN-NPE: a general recipe that uses a pretrained TabPFN encoder as a fixed summary network for simulator outputs, then pairs the resulting summaries with a downstream inference head chosen for the problem. With normalizing flows as the default inference head, PFN-NPE matches established posterior approximation methods and sometimes outperforms them. More importantly, diagnostic probes show that the TabPFN-derived summaries often preserve useful posterior location and marginal information. These analyses also reveal a limitation in that TabPFN-derived summaries may struggle to represent the joint posterior structure even when the marginals are well recovered. Still, our experiments show that TabPFN can serve as an effective summary network across a diverse set of SBI settings, with the inference network left modular and task-dependent.
May 7, 2026

Information-Preserving Domain Transfer with Unlabeled Data in Misspecified Simulation-Based Inference

Simulation-based inference (SBI) provides amortized Bayesian parameter inference from simulator-generated data without requiring explicit likelihood evaluation. Its reliability can degrade under model misspecification, where real-world observations are not well represented by the simulator used for training. Existing methods using unlabeled real-world data often align simulated and real-world data distributions, but marginal alignment alone does not directly preserve parameter-relevant information needed for posterior inference. We propose SPIN, an SBI framework with parameter-relevant information-preserving domain transfer using unlabeled, unpaired real-world observations. During training, SPIN translates labeled simulator observations toward the real-world domain and back to the simulator domain, using the original simulator labels to encourage domain transfer that preserves parameter-relevant mutual information. At test time, the learned real-to-simulator transport maps real-world observations into the simulator domain for posterior inference, without requiring real-world parameter labels or paired real--simulator observations. Across controlled synthetic and physical real-world benchmarks, SPIN improves real-world posterior inference, with the improvement becoming clearer as misspecification increases.
May 5, 2026

Neural Posterior Estimation of Terrain Parameters from Radar Sounder Data

Radar sounders are electromagnetic instruments that can probe deep into the subsurface of Earth and other planetary bodies by processing the echo of transmitted radar waves. Conventional approaches for analyzing such data rely on approximate assumptions and often produce point estimates that ignore parameter correlations as well as galactic and measurement noise. We propose a simulation-based inference approach to terrain parameter inversion from radar sounder data, where synthetic observations from a GPU-based simulator are used to train a neural network-based density estimator for neural posterior estimation (NPE). By explicitly conditioning on reference surface assumptions, the proposed framework allows systematic evaluation of posterior robustness to reference surface variability. We demonstrate that our NPE model is well calibrated on simulated data and transferable to real Mars radar profiles, where we analyze terrain parameters using literature-informed reference values.
Apr 22, 2026

Fast Bayesian equipment condition monitoring via simulation based inference: applications to heat exchanger health

Accurate condition monitoring of industrial equipment requires inferring latent degradation parameters from indirect sensor measurements under uncertainty. While traditional Bayesian methods like Markov Chain Monte Carlo (MCMC) provide rigorous uncertainty quantification, their heavy computational bottlenecks render them impractical for real-time process control. To overcome this limitation, we propose an AI-driven framework utilizing Simulation-Based Inference (SBI) powered by amortized neural posterior estimation to diagnose complex failure modes in heat exchangers. By training neural density estimators on a simulated dataset, our approach learns a direct, likelihood-free mapping from thermal-fluid observations to the full posterior distribution of degradation parameters. We benchmark this framework against an MCMC baseline across various synthetic fouling and leakage scenarios, including challenging low-probability, sparse-event failures. The results show that SBI achieves comparable diagnostic accuracy and reliable uncertainty quantification, while accelerating inference time by a factor of82×\times compared to traditional sampling. The amortized nature of the neural network enables near-instantaneous inference, establishing SBI as a highly scalable, real-time alternative for probabilistic fault diagnosis and digital twin realization in complex engineering systems.
Apr 22, 2026

Tokenised Flow Matching for Hierarchical Simulation Based Inference

The cost of simulator evaluations is a key practical bottleneck for Simulation Based Inference (SBI). In hierarchical settings with shared global parameters and exchangeable site-level parameters and observations, this structure can be exploited to improve simulation efficiency. Existing hierarchical SBI approaches factorise the posterior yet still simulate across multiple sites per training sample; We instead explore likelihood factorisation (LF) to train from single-site simulations. In LF sampling we learn a per-site neural surrogate of the simulator and then assemble synthetic multi-site observations to amortise inference for the full hierarchical posterior. Building on this, we propose Tokenised Flow Matching for Posterior Estimation (TFMPE), a tokenised flow matching approach that supports function-valued observations through likelihood factorisation. To enable systematic evaluation, we introduce a benchmark for hierarchical SBI. We validate TFMPE on this benchmark and on realistic infectious disease and computational fluid dynamics models, finding well-calibrated posteriors while reducing computational cost.
Apr 22, 2026

Generative Flow Networks for Model Adaptation in Digital Twins of Natural Systems

Digital twins of natural systems must remain aligned with physical systems that evolve over time, are only partially observed, and are typically modeled by mechanistic simulators whose parameters cannot be measured directly. In such settings, model adaptation is naturally posed as a simulation-based inference problem. However, sparse and indirect observations often fail to identify a unique and optimal calibration, leaving several simulator parameterizations compatible with the available evidence. This article presents a GFlowNet-based approach to model adaptation for digital twins of natural systems. We formulate adaptation as a generative modeling problem over complete simulator configurations, so that plausible parameterizations can be sampled with probability proportional to a reward derived from agreement between simulated and observed behavior. Using a controlled environment agriculture case study based on a mechanistic tomato model, we show that the learned policy recovers dominant regions of the adaptation landscape, retrieves strong calibration hypotheses, and preserves multiple plausible configurations under uncertainty.
Apr 20, 2026

Overcoming Selection Bias in Statistical Studies With Amortized Bayesian Inference

Selection bias arises when the probability that an observation enters a dataset depends on variables related to the quantities of interest, leading to systematic distortions in estimation and uncertainty quantification. For example, in epidemiological or survey settings, individuals with certain outcomes may be more likely to be included, resulting in biased prevalence estimates with potentially substantial downstream impact. Classical corrections, such as inverse-probability weighting or explicit likelihood-based models of the selection process, rely on tractable likelihoods, which limits their applicability in complex stochastic models with latent dynamics or high-dimensional structure. Simulation-based inference enables Bayesian analysis without tractable likelihoods but typically assumes missingness at random and thus fails when selection depends on unobserved outcomes or covariates. Here, we develop a bias-aware simulation-based inference framework that explicitly incorporates selection into neural posterior estimation. By embedding the selection mechanism directly into the generative simulator, the approach enables amortized Bayesian inference without requiring tractable likelihoods. This recasting of selection bias as part of the simulation process allows us to both obtain debiased estimates and explicitly test for the presence of bias. The framework integrates diagnostics to detect discrepancies between simulated and observed data and to assess posterior calibration. The method recovers well-calibrated posterior distributions across three statistical applications with diverse selection mechanisms, including settings in which likelihood-based approaches yield biased estimates. These results recast the correction of selection bias as a simulation problem and establish simulation-based inference as a practical and testable strategy for parameter estimation under selection bias.
Apr 2, 2026

Gradient estimators for parameter inference in discrete stochastic kinetic models

Stochastic kinetic models are ubiquitous in physics, yet inferring their parameters from experimental data remains challenging. For deterministic models, parameter inference often relies on gradients, which can be obtained efficiently through automatic differentiation (AD). However, AD cannot be applied directly to the Gillespie stochastic simulation algorithm (SSA), since sampling from a discrete set of reactions introduces non-differentiable operations. In this work, we adopt three gradient estimators from machine learning for the Gillespie SSA: the Gumbel-Softmax Straight-Through (GS-ST) estimator, the Score Function estimator, and the Alternative Path estimator. We use the estimators to evaluate gradients of steady-state and time-dependent observables, and compare their performance in representative biophysical systems with relaxation dynamics (bimolecular association) and oscillatory dynamics (repressilator). We find that the GS-ST estimator generally yields well-behaved gradient estimates, but exhibits diverging variance in challenging parameter regimes, which can cause parameter inference to fail. In these cases, other estimators provide more robust, lower variance gradients. Our results demonstrate that gradient-based parameter inference can be effectively combined with the Gillespie SSA, with different estimators offering complementary advantages.
Mar 27, 2026

Conditional Neural Bayes Ratio Estimation for Experimental Design Optimisation

For frontier experiments operating at the edge of detectability, instrument design directly determines the probability of discovery. We introduce Conditional Neural Bayes Ratio Estimation (cNBRE), which extends neural Bayes ratio estimation by conditioning on design parameters, enabling a single trained network to estimate Bayes factors across a continuous design space. Applied to 21-cm radio cosmology with simulations representative of the REACH experiment, the amortised nature of cNBRE enables systematic design space exploration that would be intractable with traditional point-wise methods, while recovering established physical relationships. The analysis demonstrates a ~20 percentage point variation in detection probability with antenna orientation for a single night of observation, a design decision that would be trivial to implement if determined prior to antenna construction. This framework enables efficient, globally-informed experimental design optimisation for a wide range of scientific applications.
Mar 23, 2026

Identifiability and amortized inference limitations in Kuramoto models

Bayesian inference is a powerful tool for parameter estimation and uncertainty quantification in dynamical systems. However, for nonlinear oscillator networks such as Kuramoto models, widely used to study synchronization phenomena in physics, biology, and engineering, inference is often computationally prohibitive due to high-dimensional state spaces and intractable likelihood functions. We present an amortized Bayesian inference approach that learns a neural approximation of the posterior from simulated phase dynamics, enabling fast, scalable inference without repeated sampling or optimization. Applied to synthetic Kuramoto networks, the method shows promising results in approximating posterior distributions and capturing uncertainty, with computational savings compared to traditional Bayesian techniques. These findings suggest that amortized inference is a practical and flexible framework for uncertainty-aware analysis of oscillator networks.
Mar 20, 2026

CogFormer: Learn All Your Models Once

Simulation-based inference (SBI) with neural networks has accelerated and transformed cognitive modeling workflows. SBI enables modelers to fit complex models that were previously difficult or impossible to estimate, while also allowing rapid estimation across large numbers of datasets. However, the utility of SBI for iterating over varying modeling assumptions remains limited: changes to parameterizations, generative functions, priors, and design variables all necessitate model retraining, thereby diminishing the benefits of amortization. To address these issues, we pilot the CogFormer, a meta-amortized framework for cognitive modeling. Our framework trains a transformer-based architecture that remains valid across a combinatorial number of structurally similar models, allowing for changing data types, parameters, design matrices, and sample sizes. We present promising quantitative results across families of decision-making models for binary, multi-alternative, and continuous responses. Our evaluation suggests that CogFormer can accurately estimate parameters across model families with minimal amortization offset, making it a potentially powerful engine that catalyzes cognitive modeling workflows.
Mar 19, 2026

Improving moment tensor solutions under Earth structure uncertainty with simulation-based inference

Bayesian inference represents a principled way to incorporate Earth structure uncertainty in full-waveform moment tensor inversions, but traditional approaches generally require significant approximations that risk biasing the resulting solutions. We introduce a robust method for handling theory errors using simulation-based inference (SBI), a machine learning approach that empirically models their impact on the observations. This framework retains the rigour of Bayesian inference while avoiding restrictive assumptions about the functional form of the uncertainties. We begin by demonstrating that the common Gaussian parametrisation of theory errors breaks down under minor (1−3%1-3 \%) 1-D Earth model uncertainty. To address this issue, we develop two formalisms for utilising SBI to improve the quality of the moment tensor solutions: one using physics-based insights into the theory errors, and another utilising an end-to-end deep learning algorithm. We then compare the results of moment tensor inversion with the standard Gaussian approach and SBI, and demonstrate that Gaussian assumptions induce bias and significantly under-report moment tensor uncertainties. We also show that these effects are particularly problematic when inverting short period data and for shallow, isotropic events. On the other hand, SBI produces more reliable, better calibrated posteriors of the earthquake source mechanism. Finally, we successfully apply our methodology to two well studied moderate magnitude earthquakes: one from the 1997 Long Valley Caldera volcanic earthquake sequence, and the 2020 Zagreb earthquake.
Mar 16, 2026

Scalable Simulation-Based Model Inference with Test-Time Complexity Control

Simulation plays a central role in scientific discovery. In many applications, the bottleneck is no longer running a simulator; it is choosing among large families of plausible simulators, each corresponding to different forward models/hypotheses consistent with observations. Over large model families, classical Bayesian workflows for model selection are impractical. Furthermore, amortized model selection methods typically hard-code a fixed model prior or complexity penalty at training time, requiring users to commit to a particular parsimony assumption before seeing the data. We introduce PRISM, a simulation-based encoder-decoder that infers a joint posterior over both discrete model structures and associated continuous parameters, while enabling test-time control of model complexity via a tunable model prior that the network is conditioned on. We show that PRISM scales to families with combinatorially many (up to billions) of model instantiations on a synthetic symbolic regression task. As a scientific application, we evaluate PRISM on biophysical modeling for diffusion MRI data, showing the ability to perform model selection across several multi-compartment models, on both synthetic and in vivo neuroimaging data.
Mar 11, 2026

ForwardFlow: Simulation only statistical inference using deep learning

Deep learning models are being used for the analysis of parametric statistical models based on simulation-only frameworks. Bayesian models using normalizing flows simulate data from a prior distribution and are composed of two deep neural networks: a summary network that learns a sufficient statistic for the parameter and a normalizing flow that conditional on the summary network can approximate the posterior distribution. Here, we explore frequentist models that are based on a single summary network. During training, input of the network is a simulated data set based on a parameter and the loss function minimizes the mean-square error between learned summary and parameter. The network thereby solves the inverse problem of parameter estimation. We propose a branched network structure that contains collapsing layers that reduce a data set to summary statistics that are further mapped through fully connected layers to approximate the parameter estimate. We motivate our choice of network structure by theoretical considerations. In simulations we demonstrate three desirable properties of parameter estimates: finite sample exactness, robustness to data contamination, and algorithm approximation. These properties are achieved offering the the network varying sample size, contaminated data, and data needing algorithmic reconstruction during the training phase. In our simulations an EM-algorithm for genetic data is automatically approximated by the network. Simulation only approaches seem to offer practical advantages in complex modeling tasks where the simpler data simulation part is left to the researcher and the more complex problem of solving the inverse problem is left to the neural network. Challenging future work includes offering pre-trained models that can be used in a wide variety of applications.
Mar 10, 2026

First Estimation of Model Parameters for Neutrino-Induced Nucleon Knockout Using Simulation-Based Inference

To enable an accurate determination of oscillation parameters, accelerator-based neutrino experiments require detailed simulations of nuclear interaction physics in the GeV regime. While substantial effort from both theory and experiment is currently being invested to improve the fidelity of these simulations, their present deficiencies typically oblige experimental collaborations to resort to empirical tuning of simulation model parameters. As the precision requirements of the field continue to become more stringent, machine learning techniques may provide a powerful means of handling corresponding growth in the complexity of future neutrino interaction model tuning exercises. To study the suitability of simulation-based inference (SBI) for this physics application, in this paper we revisit a tuned configuration of the GENIE neutrino event generator that was originally developed by the MicroBooNE collaboration. Despite closely reproducing the adopted values of four physics parameters when confronted with the tuned cross-section predictions as input, we find that our trained SBI algorithm prefers modestly different values (within MicroBooNE's assigned uncertainties) and achieves slightly better goodness-of-fit when inference is run on the experimental data set originally used by MicroBooNE. We also find that our trained algorithm can create a fair approximation of an alternative neutrino scattering simulation, NuWro, that shares only a subset of its physics model parameters with GENIE.
Mar 9, 2026

Towards Reliable Simulation-based Inference

Scientific knowledge expands by observing the world, hypothesizing some theories about it, and testing them against collected data. When those theories take the form of statistical models, statistical analyses are involved in the process of testing and refining scientific hypotheses. In this thesis, we focus on statistical models that take the form of scientific simulators and provide background about how machine learning can be used for statistical analyses in this context. The first part of this thesis is about showing empirically that performing statistical analyses with machine learning involves a degree of approximation. Specifically, all statistical analyses involve a level of uncertainty in the conclusions drawn, and we show that approximations can lead to overconfident conclusions. We draw caution regarding such overconfident conclusions and introduce a criterion to diagnose overconfident approximations. In the second part, we introduce balancing, a way to regularize machine learning models to reduce overconfidence and favor calibrated or underconfident approximations. Balancing is first introduced for neural ratio estimation algorithms and then extended to other algorithms. Intuition about why balancing leads to less overconfident solutions is provided, and it is shown empirically that balanced algorithms are often either close to calibrated or underconfident. The third part shows that Bayesian neural networks can also be used to mitigate the overconfidence of approximations. Unlike balancing, no regularization is required, and this solution can then work with few training samples and, hence, computationally expensive simulators. To that end, a new Bayesian neural network prior tailored for simulation-based inference is developed, and empirical results show a reduction in overconfidence compared to similar solutions without Bayesian neural networks.
Mar 4, 2026

A Fast Generative Framework for High-dimensional Posterior Sampling: Application to CMB Delensing

We introduce a deep generative framework for high-dimensional Bayesian inference that enables efficient posterior sampling. As telescopes and simulations rapidly expand the volume and resolution of astrophysical data, fast simulation-based inference methods are increasingly needed to extract scientific insights. While diffusion-based approaches offer high-quality generative capabilities, they are hindered by slow sampling speeds. Our method performs posterior sampling an order of magnitude faster than a diffusion baseline. Applied to the problem of CMB delensing, it successfully recovers the unlensed CMB power spectrum from simulated observations. The model also remains robust to shifts in cosmological parameters, demonstrating its potential for out-of-distribution generalization and application to observational cosmological data.
Feb 27, 2026

Do Diffusion Models Dream of Electric Planes? Discrete and Continuous Simulation-Based Inference for Aircraft Design

In this paper, we generate conceptual engineering designs of electric vertical take-off and landing (eVTOL) aircraft. We follow the paradigm of simulation-based inference (SBI), whereby we look to learn a posterior distribution over the full eVTOL design space. To learn this distribution, we sample over discrete aircraft configurations (topologies) and their corresponding set of continuous parameters. Therefore, we introduce a hierarchical probabilistic model consisting of two diffusion models. The first model leverages recent work on Riemannian Diffusion Language Modeling (RDLM) and Unified World Models (UWMs) to enable us to sample topologies from a discrete and continuous space. For the second model we introduce a masked diffusion approach to sample the corresponding parameters conditioned on the topology. Our approach rediscovers known trends and governing physical laws in aircraft design, while significantly accelerating design generation.
Feb 17, 2026

Neural Network-Based Parameter Estimation of a Labour Market Agent-Based Model

Agent-based modelling (ABM) is a widespread approach to simulate complex systems. Advancements in computational processing and storage have facilitated the adoption of ABMs across many fields; however, ABMs face challenges that limit their use as decision-support tools. A significant issue is parameter estimation in large-scale ABMs, particularly due to computational constraints on exploring the parameter space. This study evaluates a state-of-the-art simulation-based inference (SBI) framework that uses neural networks (NN) for parameter estimation. This framework is applied to an established labour market ABM based on job transition networks. The ABM is initiated with synthetic datasets and the real U.S. labour market. Next, we compare the effectiveness of summary statistics derived from a list of statistical measures with that learned by an embedded NN. The results demonstrate that the NN-based approach recovers the original parameters when evaluating posterior distributions across various dataset scales and improves efficiency compared to traditional Bayesian methods.
Jan 30, 2026

OneFlowSBI: One Model, Many Queries for Simulation-Based Inference

Simulation-based inference (SBI) methods typically amortize a single query, usually the posterior, so each further conditional or marginal needs its own model. Existing generalists amortize many queries in one transformer with one token per variable, so their attention cost grows quadratically with the number of variables. We introduce OneFlowSBI, a masked flow matching framework that trains one network on the joint distribution of parameters and observations. A ternary mask marks each coordinate as observed, generated or absent, so any conditional or marginal is sampled by changing the mask. The mask is an input, rather than a tokenization, so the backbone can follow the data's structure and scale to many variables. On high-dimensional image denoising and shallow water inference, OneFlowSBI achieves lower posterior error than the baselines, samples far faster than a transformer-based generalist, and handles missing regions and partial observation windows without retraining. On most of the ten SBIBM tasks at the largest simulation budget, it matches or exceeds neural posterior estimation and is comparable to transformer-based generalists, while also providing the likelihood and marginals.
Jan 12, 2026

Adapting Neural Posterior Estimators for Simulation-Based Inference in Agent-Based Models

Agent-based models (ABMs) are widely used in economics and social sciences. They represent heterogeneous personal behaviors and their interactions by using simulations, whereas their likelihoods are often intractable for parameter estimations. Therefore, most traditional statistical inference techniques are hindered. Driven by recent advances in probabilistic machine learning, recent works have applied neural networks to achieve likelihood-free inference in large-scale ABMs. Specifically, Neural Posterior Estimation using normalizing flows provide amortized Bayesian inference from simulations, yet a pre-trained estimator may become inaccurate when the target task changes. In this work, we investigate the practicality of adapting a pre-trained conditional normalizing flow through a unified sequential neural posterior estimation test-time training (SNPE-TTT) framework. The framework includes four adaptation strategies: full-parameter adaptation, low-rank adaptation, and two update spaces identified from target-task gradients. We evaluate all four methods across economic simulation models with both tractable and intractable likelihoods. These benchmarks demonstrate that the sequential neural posterior estimation test-time training framework can adapt pre-trained posterior estimators to related inference tasks using a limited budget of target simulations. Posterior recovery and computational benefits depend on the task and adaptation strategy, with lower target-stage cost in some settings but no consistently superior posterior accuracy.
Dec 22, 2025

Diffusion Models in Simulation-Based Inference: A Tutorial Review

Diffusion models have recently emerged as powerful learners for simulation-based inference (SBI), enabling fast and accurate estimation of latent parameters from simulated and real data. Their score-based formulation offers a flexible way to learn conditional or joint distributions over parameters and observations, thereby providing a versatile solution to various modeling problems. In this tutorial review, we synthesize recent developments on diffusion models for SBI, covering design choices for training, inference, and evaluation. We highlight opportunities created by various concepts such as guidance, score composition, flow matching, consistency models, and joint modeling. Furthermore, we discuss how efficiency and statistical accuracy are affected by noise schedules, parameterizations, and samplers. Finally, we illustrate these concepts with case studies across parameter dimensionalities, simulation budgets, and model types, and outline open questions for future research.
Oct 30, 2025

Posterior-driven Heuristic Support Adaptation in a Probabilistic Treatment of Real2Sim2Real for Vision-Driven Deformable Linear Object Manipulation

Likelihood-free inference (LFI) enables system identification in complex tasks via black-box modelling, abstracting nonlinearity and stochasticity, and infers a domain distribution for adapting agents to parametric deployment conditions. LFI assumes an arbitrary support for sampling, which remains fixed as the initial generic prior is refined to increasingly descriptive posteriors. Misspecified support can therefore yield suboptimal yet overconfident posteriors. We address this issue by using the posterior of an inference step to guide the adaptation of the support using three illustrative heuristics: EDGE, MODE, and CENTRE. Each heuristic interprets the updated belief and enables support adaptation alongside posterior inference. For illustrative purposes, we first study misspecified support in LFI and evaluate the utility of our heuristics using stochastic dynamical benchmarks. We then evaluate posterior-driven heuristic support adaptation for parameter inference and policy learning in a dynamic deformable linear object (DLO) manipulation task. Inference results in a finer length and stiffness classification for a parametric set of DLOs. When the resulting posteriors are used as domain distributions for sim-based policy learning, they lead to more robust object-centric agent performance.
Oct 20, 2025

Estimating Orbital Parameters of Direct Imaging Exoplanet Using Neural Network

In this work, we propose a flow-matching Markov chain Monte Carlo (FM-MCMC) algorithm for estimating the orbital parameters of exoplanetary systems, especially for those only one exoplanet is involved. Compared to traditional methods that rely on random sampling within the Bayesian framework, our approach first leverages flow matching posterior estimation (FMPE) to efficiently constrain the prior range of physical parameters, and then employs MCMC to accurately infer the posterior distribution. For example, in the orbital parameter inference of beta Pictoris b, our model achieved a substantial speed-up while maintaining comparable accuracy-running 77.8 times faster than Parallel Tempered MCMC (PTMCMC) and 365.4 times faster than nested sampling. Moreover, our FM-MCMC method also attained the highest average log-likelihood among all approaches, demonstrating its superior sampling efficiency and accuracy. This highlights the scalability and efficiency of our approach, making it well-suited for processing the massive datasets expected from future exoplanet surveys. Beyond astrophysics, our methodology establishes a versatile paradigm for synergizing deep generative models with traditional sampling, which can be adopted to tackle complex inference problems in other fields, such as cosmology, biomedical imaging, and particle physics.
May 27, 2025

Causal Posterior Estimation

We present Causal Posterior Estimation (CPE), a novel method for Bayesian inference in simulator models, where evaluating the likelihood function is intractable or computationally expensive, but generating outputs given parameter values is straightforward. CPE approximates the posterior distribution using flow matching while directly incorporating the conditional dependence structure induced by the model's graphical representation into the neural network architecture. Across extensive experiments, we demonstrate that hard-coding these conditional dependencies into the network, rather than requiring them to be learned from data, enables CPE to achieve highly accurate posterior inference that matches or outperforms state-of-the-art baselines.
Apr 2, 2025

Bifidelity Parameter Estimation Using Conditional Diffusion Models

We present a bifidelity method for uncertainty quantification of parameter estimates in complex systems, leveraging generative models trained to sample the target conditional distribution. In the Bayesian inference setting, traditional parameter estimation methods rely on repeated simulations of potentially expensive forward models to determine the posterior distribution of the parameter values, which may result in computationally intractable workflows. Furthermore, methods such as Markov Chain Monte Carlo (MCMC) necessitate rerunning the entire algorithm for each new data observation, further increasing the computational burden. Hence, we propose a novel method for efficiently obtaining posterior distributions of parameter estimates for high-fidelity models given data observations of interest. The method first constructs a low-fidelity, conditional generative model capable of amortized Bayesian inference and hence rapid posterior density approximation over a wide-range of data observations. When higher accuracy is needed for a specific data observation, the method employs adaptive refinement of the density approximation. It uses outputs from the low-fidelity generative model to refine the parameter sampling space, ensuring efficient use of the computationally expensive high-fidelity solver. Subsequently, a high-fidelity, unconditional generative model is trained to achieve greater accuracy in the target posterior distribution. Both low- and high- fidelity generative models enable efficient sampling from the target posterior and do not require repeated simulation of the high-fidelity forward model. We demonstrate the effectiveness of the proposed method on several numerical examples, including cases with multi-modal densities, as well as an application in plasma physics for a runaway electron simulation model.