arXiv subjects

Gabriel Victorino Cardoso

Publications and source records attributed to Gabriel Victorino Cardoso.

3 recordsLinked to original sources

arXiv2026

Theoretical Guarantees for SMC-Guided Diffusion Sampling

Post-hoc conditioning of pretrained diffusion models can be addressed using Sequential Monte Carlo (SMC) methods. By evolving an interacting particle system, SMC-guided diffusion samplers combine unconditional reverse-diffusion dynamics with sequential reweighting to approximate conditional distributions. Nevertheless, even in the infinite-particle limit, the implemented sampler may differ from the ideal conditional target because of errors in the diffusion model, its numerical implementation, and the guidance mechanism. We characterize how these local errors propagate through forward-smoothing kernels, which jointly account for the reverse dynamics and the remaining conditioning information. This yields non-asymptotic error bounds that capture both finite-particle fluctuations and approximation errors arising from initialization, numerical integration, score approximation, and potential design. In doing so, we extend stability guarantees for diffusion models to the conditional setting. Finally, we apply our framework to several state-of-the-art SMC-guided diffusion algorithms, providing a unified theoretical perspective on their approximation mechanisms and sources of error.

stat.ML↗

arXiv2026

Diffusion posterior sampling for simulation-based inference in tall data settings

Identifying the parameters of a non-linear model that best explain observed data is a core task across scientific fields. When such models rely on complex simulators, evaluating the likelihood is typically intractable, making traditional inference methods such as MCMC inapplicable. Simulation-based inference (SBI) addresses this by training deep generative models to approximate the posterior distribution over parameters using simulated data. In this work, we consider the tall data setting, where multiple independent observations provide additional information, allowing sharper posteriors and improved parameter identifiability. Building on the flourishing score-based diffusion literature, F-NPSE (Geffner et al., 2023) estimates the tall data posterior by composing individual scores from a neural network trained only for a single context observation. This enables more flexible and simulation-efficient inference than alternative approaches for tall datasets in SBI. However, it relies on costly Langevin dynamics during sampling. We propose a new algorithm that eliminates the need for Langevin steps by explicitly approximating the diffusion process of the tall data posterior. Our method retains the advantages of compositional score-based inference while being significantly faster and more stable than F-NPSE. We demonstrate its improved performance on toy problems and standard SBI benchmarks, and showcase its scalability by applying it to a complex real-world model from computational neuroscience.

stat.ML↗

arXiv2023

Generative methods for sampling transition paths in molecular dynamics

Molecular systems often remain trapped for long times around some local minimum of the potential energy function, before switching to another one -- a behavior known as metastability. Simulating transition paths linking one metastable state to another one is difficult by direct numerical methods. In view of the promises of machine learning techniques, we explore in this work two approaches to more efficiently generate transition paths: sampling methods based on generative models such as variational autoencoders, and importance sampling methods based on reinforcement learning.

stat.ML↗