snf
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Supplementary Material
Here we elaborate on the details of using SNFs as a variational approximation of the posterior distribution of a variational autoencoder (V AE) [21] as presented in our last results section. All experiments were run using PyTorch 1.2 and on GTX1080Ti cards. NSF block consists of two subsequent NSF layers with intermediate swap layers. "Biased data" is defined by running local Metropolis MC in each of the two wells. "Unbiased data" is produced by running Metropolis MC with a large proposal step (standard The other settings are the same as in Table 1.
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Physics-Informed Sylvester Normalizing Flows for Bayesian Inference in Magnetic Resonance Spectroscopy
Merkofer, Julian P., van de Sande, Dennis M. J., Bhogal, Alex A., van Sloun, Ruud J. G.
Magnetic resonance spectroscopy (MRS) is a non-invasive technique to measure the metabolic composition of tissues, offering valuable insights into neurological disorders, tumor detection, and other metabolic dysfunctions. However, accurate metabolite quantification is hindered by challenges such as spectral overlap, low signal-to-noise ratio, and various artifacts. Traditional methods like linear-combination modeling are susceptible to ambiguities and commonly only provide a theoretical lower bound on estimation accuracy in the form of the Cramér-Rao bound. This work introduces a Bayesian inference framework using Sylvester normalizing flows (SNFs) to approximate posterior distributions over metabolite concentrations, enhancing quantification reliability. A physics-based decoder incorporates prior knowledge of MRS signal formation, ensuring realistic distribution representations. We validate the method on simulated 7T proton MRS data, demonstrating accurate metabolite quantification, well-calibrated uncertainties, and insights into parameter correlations and multi-modal distributions.
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Stochastic normalizing flows for Effective String Theory
Caselle, Michele, Cellini, Elia, Nada, Alessandro
Effective String Theory (EST) is a powerful tool used to study confinement in pure gauge theories by modeling the confining flux tube connecting a static quark-anti-quark pair as a thin vibrating string. Recently, flow-based samplers have been applied as an efficient numerical method to study EST regularized on the lattice, opening the route to study observables previously inaccessible to standard analytical methods. Flow-based samplers are a class of algorithms based on Normalizing Flows (NFs), deep generative models recently proposed as a promising alternative to traditional Markov Chain Monte Carlo methods in lattice field theory calculations. By combining NF layers with out-of-equilibrium stochastic updates, we obtain Stochastic Normalizing Flows (SNFs), a scalable class of machine learning algorithms that can be explained in terms of stochastic thermodynamics. In this contribution, we outline EST and SNFs, and report some numerical results for the shape of the flux tube.
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Scaling of Stochastic Normalizing Flows in $\mathrm{SU}(3)$ lattice gauge theory
Bulgarelli, Andrea, Cellini, Elia, Nada, Alessandro
Non-equilibrium Markov Chain Monte Carlo (NE-MCMC) simulations provide a well-understood framework based on Jarzynski's equality to sample from a target probability distribution. By driving a base probability distribution out of equilibrium, observables are computed without the need to thermalize. If the base distribution is characterized by mild autocorrelations, this approach provides a way to mitigate critical slowing down. Out-of-equilibrium evolutions share the same framework of flow-based approaches and they can be naturally combined into a novel architecture called Stochastic Normalizing Flows (SNFs). In this work we present the first implementation of SNFs for $\mathrm{SU}(3)$ lattice gauge theory in 4 dimensions, defined by introducing gauge-equivariant layers between out-of-equilibrium Monte Carlo updates. The core of our analysis is focused on the promising scaling properties of this architecture with the degrees of freedom of the system, which are directly inherited from NE-MCMC. Finally, we discuss how systematic improvements of this approach can realistically lead to a general and yet efficient sampling strategy at fine lattice spacings for observables affected by long autocorrelation times.
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Flow-based Sampling for Entanglement Entropy and the Machine Learning of Defects
Bulgarelli, Andrea, Cellini, Elia, Jansen, Karl, Kühn, Stefan, Nada, Alessandro, Nakajima, Shinichi, Nicoli, Kim A., Panero, Marco
We introduce a novel technique to numerically calculate R\'enyi entanglement entropies in lattice quantum field theory using generative models. We describe how flow-based approaches can be combined with the replica trick using a custom neural-network architecture around a lattice defect connecting two replicas. Numerical tests for the $\phi^4$ scalar field theory in two and three dimensions demonstrate that our technique outperforms state-of-the-art Monte Carlo calculations, and exhibit a promising scaling with the defect size.
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