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Nested Slice Sampling: Vectorized Nested Sampling for GPU-Accelerated Inference

arXiv.org Machine Learning

Model comparison and calibrated uncertainty quantification often require integrating over parameters, but scalable inference can be challenging for complex, multimodal targets. Nested Sampling is a robust alternative to standard MCMC, yet its typically sequential structure and hard constraints make efficient accelerator implementations difficult. This paper introduces Nested Slice Sampling (NSS), a GPU-friendly, vectorized formulation of Nested Sampling that uses Hit-and-Run Slice Sampling for constrained updates. A tuning analysis yields a simple near-optimal rule for setting the slice width, improving high-dimensional behavior and making per-step compute more predictable for parallel execution. Experiments on challenging synthetic targets, high dimensional Bayesian inference, and Gaussian process hyperparameter marginalization show that NSS maintains accurate evidence estimates and high-quality posterior samples, and is particularly robust on difficult multimodal problems where current state-of-the-art methods such as tempered SMC baselines can struggle. An open-source implementation is released to facilitate adoption and reproducibility.


Dynamic SBI: Round-free Sequential Simulation-Based Inference with Adaptive Datasets

arXiv.org Machine Learning

Simulation-based inference (SBI) is emerging as a new statistical paradigm for addressing complex scientific inference problems. By leveraging the representational power of deep neural networks, SBI can extract the most informative simulation features for the parameters of interest. Sequential SBI methods extend this approach by iteratively steering the simulation process towards the most relevant regions of parameter space. This is typically implemented through an algorithmic structure, in which simulation and network training alternate over multiple rounds. This strategy is particularly well suited for high-precision inference in high-dimensional settings, which are commonplace in physics applications with growing data volumes and increasing model fidelity. Here, we introduce dynamic SBI, which implements the core ideas of sequential methods in a round-free, asynchronous, and highly parallelisable manner. At its core is an adaptive dataset that is iteratively transformed during inference to resemble the target observation. Simulation and training proceed in parallel: trained networks are used both to filter out simulations incompatible with the data and to propose new, more promising ones. Compared to round-based sequential methods, this asynchronous structure can significantly reduce simulation costs and training overhead. We demonstrate that dynamic SBI achieves significant improvements in simulation and training efficiency while maintaining inference performance. We further validate our framework on two challenging astrophysical inference tasks: characterising the stochastic gravitational wave background and analysing strong gravitational lensing systems. Overall, this work presents a flexible and efficient new paradigm for sequential SBI.




Multidimensional Distributional Neural Network Output Demonstrated in Super-Resolution of Surface Wind Speed

arXiv.org Machine Learning

Accurate quantification of uncertainty in neural network predictions remains a central challenge for scientific applications involving high-dimensional, correlated data. While existing methods capture either aleatoric or epistemic uncertainty, few offer closed-form, multidimensional distributions that preserve spatial correlation while remaining computationally tractable. In this work, we present a framework for training neural networks with a multidimensional Gaussian loss, generating closed-form predictive distributions over outputs with non-identically distributed and heteroscedastic structure. Our approach captures aleatoric uncertainty by iteratively estimating the means and covariance matrices, and is demonstrated on a super-resolution example. We leverage a Fourier representation of the covariance matrix to stabilize network training and preserve spatial correlation. We introduce a novel regularization strategy -- referred to as information sharing -- that interpolates between image-specific and global covariance estimates, enabling convergence of the super-resolution downscaling network trained on image-specific distributional loss functions. This framework allows for efficient sampling, explicit correlation modeling, and extensions to more complex distribution families all without disrupting prediction performance. We demonstrate the method on a surface wind speed downscaling task and discuss its broader applicability to uncertainty-aware prediction in scientific models.


Deep Neural Network Driven Simulation Based Inference Method for Pole Position Estimation under Model Misspecification

arXiv.org Machine Learning

Simulation Based Inference (SBI) is shown to yield more accurate resonance parameter estimates than traditional chi-squared minimization in certain cases of model misspecification, demonstrated through a case study of pi-pi scattering and the rho(770) resonance. Models fit to some data sets using chi-squared minimization can predict inaccurate pole positions for the rho(770), while SBI provides more robust predictions across the same models and data. This result is significant both as a proof of concept that SBI can handle model misspecification, and because accurate modeling of pi-pi scattering is essential in the study of many contemporary physical systems (e.g., a1(1260), omega(782)).


Recent Advances in Simulation-based Inference for Gravitational Wave Data Analysis

arXiv.org Machine Learning

The detection of gravitational waves by the LIGO-Virgo-KAGRA collaboration has ushered in a new era of observational astronomy, emphasizing the need for rapid and detailed parameter estimation and population-level analyses. Traditional Bayesian inference methods, particularly Markov chain Monte Carlo, face significant computational challenges when dealing with the high-dimensional parameter spaces and complex noise characteristics inherent in gravitational wave data. This review examines the emerging role of simulation-based inference methods in gravitational wave astronomy, with a focus on approaches that leverage machine-learning techniques such as normalizing flows and neural posterior estimation. We provide a comprehensive overview of the theoretical foundations underlying various simulation-based inference methods, including neural posterior estimation, neural ratio estimation, neural likelihood estimation, flow matching, and consistency models. We explore the applications of these methods across diverse gravitational wave data processing scenarios, from single-source parameter estimation and overlapping signal analysis to testing general relativity and conducting population studies. Although these techniques demonstrate speed improvements over traditional methods in controlled studies, their model-dependent nature and sensitivity to prior assumptions are barriers to their widespread adoption. Their accuracy, which is similar to that of conventional methods, requires further validation across broader parameter spaces and noise conditions.


Simulation-based population inference of LISA's Galactic binaries: Bypassing the global fit

arXiv.org Machine Learning

The Laser Interferometer Space Antenna (LISA) is expected to detect thousands of individually resolved gravitational wave sources, overlapping in time and frequency, on top of unresolved astrophysical and/or primordial backgrounds. Disentangling resolved sources from backgrounds and extracting their parameters in a computationally intensive "global fit" is normally regarded as a necessary step toward reconstructing the properties of the underlying astrophysical populations. Here, we show that it is possible to infer the properties of the most numerous population of LISA sources - Galactic double white dwarfs - directly from the frequency (or, equivalently, time) strain series, by using a simulation-based approach that bypasses the global fit entirely. By training a normalizing flow on a custom-designed compression of simulated LISA frequency series from the Galactic double white dwarf population, we demonstrate how to infer the posterior distribution of population parameters (e.g., mass function, frequency, and spatial distributions). This allows for extracting information on the population parameters from both resolved and unresolved sources simultaneously and in a computationally efficient manner. Our approach to target population properties directly can be readily extended to other source classes (e.g., massive and stellar-mass black holes, extreme mass ratio inspirals), provided fast simulations are available, and to scenarios involving non-Gaussian or non-stationary noise (e.g., data gaps).


Summary Statistics of Large-scale Model Outputs for Observation-corrected Outputs

arXiv.org Machine Learning

Physics-based models capture broad spatial and temporal dynamics, but often suffer from biases and numerical approximations, while observations capture localized variability but are sparse. Integrating these complementary data modalities is important to improving the accuracy and reliability of model outputs. Meanwhile, physics-based models typically generate large outputs that are challenging to manipulate. In this paper, we propose Sig-PCA, a space-time framework that integrates summary statistics from model outputs with localized observations via a neural network (NN). By leveraging reduced-order representations from physics-based models and integrating them with observational data, our approach corrects model outputs, while allowing to work with dimensionally-reduced quantities hence with smaller NNs. This framework highlights the synergy between observational data and statistical summaries of model outputs, and effectively combines multisource data by preserving essential statistical information. We demonstrate our approach on two datasets (surface temperature and surface wind) with different statistical properties and different ratios of model to observational data. Our method corrects model outputs to align closely with the observational data, specifically enabling to correct probability distributions and space-time correlation structures.