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Atul Kumar Sinha, Daniele Paliotta, Bálint Máté, Sebastian Pina-Otey, John A. Raine, Tobias Golling, François Fleuret

Deep learning methods have gained popularity in high energy physics for fast modeling of particle showers in detectors. Detailed simulation frameworks such as the gold standard Geant4 are computationally intensive, and current deep generative architectures work on discretized, lower resolution versions of the detailed simulation. The development of models that work at higher spatial resolutions is currently hindered by the complexity of the full simulation data, and by the lack of simpler, more interpretable benchmarks. Our contribution is SUPA, the SUrrogate PArticle propagation simulator, an algorithm and software package for generating data by simulating simplified particle propagation, scattering and shower development in matter. The generation is extremely fast and easy to use compared to Geant4, but still exhibits the key characteristics and challenges of the detailed simulation. We support this claim experimentally by showing that performance of generative models on data from our simulator reflects the performance on a dataset generated with Geant4. The proposed simulator generates thousands of particle showers per second on a desktop machine, a speed up of up to 6 orders of magnitudes over Geant4, and stores detailed geometric information about the shower propagation. SUPA provides much greater flexibility for setting initial conditions and defining multiple benchmarks for the development of models. Moreover, interpreting particle showers as point clouds creates a connection to geometric machine learning and provides challenging and fundamentally new datasets for the field. The code for SUPA is available at https://github.com/itsdaniele/SUPA.

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Normalizing flows are diffeomorphic, typically dimension-preserving, models trained using the likelihood of the model. We use the SurVAE framework to construct dimension reducing surjective flows via a new layer, known as the funnel. We demonstrate its efficacy on a variety of datasets, and show it improves upon or matches the performance of existing flows while having a reduced latent space size. The funnel layer can be constructed from a wide range of transformations including restricted convolution and feed forward layers.

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The generation of accurate neutrino-nucleus cross-section models needed for neutrino oscillation experiments require simultaneously the description of many degrees of freedom and precise calculations to model nuclear responses. The detailed calculation of complete models makes the Monte Carlo generators slow and impractical. We present Exhaustive Neural Importance Sampling (ENIS), a method based on normalizing flows to find a suitable proposal density for rejection sampling automatically and efficiently, and discuss how this technique solves common issues of the rejection algorithm.

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For many applications, such as computing the expected value of different magnitudes, sampling from a known probability density function, the target density, is crucial but challenging through the inverse transform. In these cases, rejection and importance sampling require suitable proposal densities, which can be evaluated and sampled from efficiently. We will present a method based on normalizing flows, proposing a solution for the common problem of exploding reverse Kullback-Leibler divergence due to the target density having values of 0 in regions of the flow transformation. The performance of the method will be demonstrated using a multi-mode complex density function.

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We discuss the application of Neural Spline Flows, a neural density estimation algorithm, to the likelihood-free inference problem of the measurement of neutrino oscillation parameters in Long Base Line neutrino experiments. A method adapted to physics parameter inference is developed and applied to the case of the disappearance muon neutrino analysis at the T2K experiment.

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