Tobias Golling

Matthew Leigh, Debajyoti Sengupta, Guillaume Quétant et al.

In this paper, we present a new method to efficiently generate jets in High Energy Physics called PC-JeDi. This method utilises score-based diffusion models in conjunction with transformers which are well suited to the task of generating jets as particle clouds due to their permutation equivariance. PC-JeDi achieves competitive performance with current state-of-the-art methods across several metrics that evaluate the quality of the generated jets. Although slower than other models, due to the large number of forward passes required by diffusion models, it is still substantially faster than traditional detailed simulation. Furthermore, PC-JeDi uses conditional generation to produce jets with a desired mass and transverse momentum for two different particles, top quarks and gluons.

Erik Buhmann, Cedric Ewen, Darius A. Faroughy et al.

Jets at the LHC, typically consisting of a large number of highly correlated particles, are a fascinating laboratory for deep generative modeling. In this paper, we present two novel methods that generate LHC jets as point clouds efficiently and accurately. We introduce \epcjedi, which combines score-matching diffusion models with the Equivariant Point Cloud (EPiC) architecture based on the deep sets framework. This model offers a much faster alternative to previous transformer-based diffusion models without reducing the quality of the generated jets. In addition, we introduce \epcfm, the first permutation equivariant continuous normalizing flow (CNF) for particle cloud generation. This model is trained with {\it flow-matching}, a scalable and easy-to-train objective based on optimal transport that directly regresses the vector fields connecting the Gaussian noise prior to the data distribution. Our experiments demonstrate that \epcjedi and \epcfm both achieve state-of-the-art performance on the top-quark JetNet datasets whilst maintaining fast generation speed. Most notably, we find that the \epcfm model consistently outperforms all the other generative models considered here across every metric. Finally, we also introduce two new particle cloud performance metrics: the first based on the Kullback-Leibler divergence between feature distributions, the second is the negative log-posterior of a multi-model ParticleNet classifier.

Matthew Leigh, John Andrew Raine, Knut Zoch et al.

We present $ν$-Flows, a novel method for restricting the likelihood space of neutrino kinematics in high energy collider experiments using conditional normalizing flows and deep invertible neural networks. This method allows the recovery of the full neutrino momentum which is usually left as a free parameter and permits one to sample neutrino values under a learned conditional likelihood given event observations. We demonstrate the success of $ν$-Flows in a case study by applying it to simulated semileptonic $t\bar{t}$ events and show that it can lead to more accurate momentum reconstruction, particularly of the longitudinal coordinate. We also show that this has direct benefits in a downstream task of jet association, leading to an improvement of up to a factor of 1.41 compared to conventional methods.

Matthew Leigh, Samuel Klein, François Charton et al.

In this work, we significantly enhance masked particle modeling (MPM), a self-supervised learning scheme for constructing highly expressive representations of unordered sets relevant to developing foundation models for high-energy physics. In MPM, a model is trained to recover the missing elements of a set, a learning objective that requires no labels and can be applied directly to experimental data. We achieve significant performance improvements over previous work on MPM by addressing inefficiencies in the implementation and incorporating a more powerful decoder. We compare several pre-training tasks and introduce new reconstruction methods that utilize conditional generative models without data tokenization or discretization. We show that these new methods outperform the tokenized learning objective from the original MPM on a new test bed for foundation models for jets, which includes using a wide variety of downstream tasks relevant to jet physics, such as classification, secondary vertex finding, and track identification.

John Andrew Raine, Matthew Leigh, Knut Zoch et al.

In this work we introduce $ν^2$-Flows, an extension of the $ν$-Flows method to final states containing multiple neutrinos. The architecture can natively scale for all combinations of object types and multiplicities in the final state for any desired neutrino multiplicities. In $t\bar{t}$ dilepton events, the momenta of both neutrinos and correlations between them are reconstructed more accurately than when using the most popular standard analytical techniques, and solutions are found for all events. Inference time is significantly faster than competing methods, and can be reduced further by evaluating in parallel on graphics processing units. We apply $ν^2$-Flows to $t\bar{t}$ dilepton events and show that the per-bin uncertainties in unfolded distributions is much closer to the limit of performance set by perfect neutrino reconstruction than standard techniques. For the chosen double differential observables $ν^2$-Flows results in improved statistical precision for each bin by a factor of 1.5 to 2 in comparison to the Neutrino Weighting method and up to a factor of four in comparison to the Ellipse approach.

Matthew Leigh, Debajyoti Sengupta, John Andrew Raine et al.

Building on the success of PC-JeDi we introduce PC-Droid, a substantially improved diffusion model for the generation of jet particle clouds. By leveraging a new diffusion formulation, studying more recent integration solvers, and training on all jet types simultaneously, we are able to achieve state-of-the-art performance for all types of jets across all evaluation metrics. We study the trade-off between generation speed and quality by comparing two attention based architectures, as well as the potential of consistency distillation to reduce the number of diffusion steps. Both the faster architecture and consistency models demonstrate performance surpassing many competing models, with generation time up to two orders of magnitude faster than PC-JeDi and three orders of magnitude faster than Delphes.

Lukas Ehrke, John Andrew Raine, Knut Zoch et al.

We present a new approach, the Topograph, which reconstructs underlying physics processes, including the intermediary particles, by leveraging underlying priors from the nature of particle physics decays and the flexibility of message passing graph neural networks. The Topograph not only solves the combinatoric assignment of observed final state objects, associating them to their original mother particles, but directly predicts the properties of intermediate particles in hard scatter processes and their subsequent decays. In comparison to standard combinatoric approaches or modern approaches using graph neural networks, which scale exponentially or quadratically, the complexity of Topographs scales linearly with the number of reconstructed objects. We apply Topographs to top quark pair production in the all hadronic decay channel, where we outperform the standard approach and match the performance of the state-of-the-art machine learning technique.

Malte Algren, Tobias Golling, Manuel Guth et al.

We present an alternative to reweighting techniques for modifying distributions to account for a desired change in an underlying conditional distribution, as is often needed to correct for mis-modelling in a simulated sample. We employ conditional normalizing flows to learn the full conditional probability distribution from which we sample new events for conditional values drawn from the target distribution to produce the desired, altered distribution. In contrast to common reweighting techniques, this procedure is independent of binning choice and does not rely on an estimate of the density ratio between two distributions. In several toy examples we show that normalizing flows outperform reweighting approaches to match the distribution of the target.We demonstrate that the corrected distribution closes well with the ground truth, and a statistical uncertainty on the training dataset can be ascertained with bootstrapping. In our examples, this leads to a statistical precision up to three times greater than using reweighting techniques with identical sample sizes for the source and target distributions. We also explore an application in the context of high energy particle physics.

Samuel Klein, John Andrew Raine, Tobias Golling

Normalizing flows are constructed from a base distribution with a known density and a diffeomorphism with a tractable Jacobian. The base density of a normalizing flow can be parameterised by a different normalizing flow, thus allowing maps to be found between arbitrary distributions. We demonstrate and explore the utility of this approach and show it is particularly interesting in the case of conditional normalizing flows and for introducing optimal transport constraints on maps that are constructed using normalizing flows.

Bálint Máté, Samuel Klein, Tobias Golling et al.

The two key characteristics of a normalizing flow is that it is invertible (in particular, dimension preserving) and that it monitors the amount by which it changes the likelihood of data points as samples are propagated along the network. Recently, multiple generalizations of normalizing flows have been introduced that relax these two conditions. On the other hand, neural networks only perform a forward pass on the input, there is neither a notion of an inverse of a neural network nor is there one of its likelihood contribution. In this paper we argue that certain neural network architectures can be enriched with a stochastic inverse pass and that their likelihood contribution can be monitored in a way that they fall under the generalized notion of a normalizing flow mentioned above. We term this enrichment flowification. We prove that neural networks only containing linear layers, convolutional layers and invertible activations such as LeakyReLU can be flowified and evaluate them in the generative setting on image datasets.

Samuel Klein, Tobias Golling

The sensitivity of many physics analyses can be enhanced by constructing discriminants that preferentially select signal events. Such discriminants become much more useful if they are uncorrelated with a set of protected attributes. In this paper we show that a normalizing flow conditioned on the protected attributes can be used to find a decorrelated representation for any discriminant. As a normalizing flow is invertible the separation power of the resulting discriminant will be unchanged at any fixed value of the protected attributes. We demonstrate the efficacy of our approach by building supervised jet taggers that produce almost no sculpting in the mass distribution of the background.

Tobias Golling, Samuel Klein, Radha Mastandrea et al.

Many components of data analysis in high energy physics and beyond require morphing one dataset into another. This is commonly solved via reweighting, but there are many advantages of preserving weights and shifting the data points instead. Normalizing flows are machine learning models with impressive precision on a variety of particle physics tasks. Naively, normalizing flows cannot be used for morphing because they require knowledge of the probability density of the starting dataset. In most cases in particle physics, we can generate more examples, but we do not know densities explicitly. We propose a protocol called flows for flows for training normalizing flows to morph one dataset into another even if the underlying probability density of neither dataset is known explicitly. This enables a morphing strategy trained with maximum likelihood estimation, a setup that has been shown to be highly effective in related tasks. We study variations on this protocol to explore how far the data points are moved to statistically match the two datasets. Furthermore, we show how to condition the learned flows on particular features in order to create a morphing function for every value of the conditioning feature. For illustration, we demonstrate flows for flows for toy examples as well as a collider physics example involving dijet events

Malte Algren, John Andrew Raine, Tobias Golling

Being able to decorrelate a feature space from protected attributes is an area of active research and study in ethics, fairness, and also natural sciences. We introduce a novel decorrelation method using Convex Neural Optimal Transport Solvers (Cnots) that is able to decorrelate a continuous feature space against protected attributes with optimal transport. We demonstrate how well it performs in the context of jet classification in high energy physics, where classifier scores are desired to be decorrelated from the mass of a jet. The decorrelation achieved in binary classification approaches the levels achieved by the state-of-the-art using conditional normalising flows. When moving to multiclass outputs the optimal transport approach performs significantly better than the state-of-the-art, suggesting substantial gains at decorrelating multidimensional feature spaces.

Atul Kumar Sinha, Daniele Paliotta, Bálint Máté et al.

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.

Vitaliy Kinakh, Mariia Drozdova, Guillaume Quétant et al.

Conditional generation is a subclass of generative problems where the output of the generation is conditioned by the attribute information. In this paper, we present a stochastic contrastive conditional generative adversarial network (InfoSCC-GAN) with an explorable latent space. The InfoSCC-GAN architecture is based on an unsupervised contrastive encoder built on the InfoNCE paradigm, an attribute classifier and an EigenGAN generator. We propose a novel training method, based on generator regularization using external or internal attributes every $n$-th iteration, using a pre-trained contrastive encoder and a pre-trained classifier. The proposed InfoSCC-GAN is derived based on an information-theoretic formulation of mutual information maximization between input data and latent space representation as well as latent space and generated data. Thus, we demonstrate a link between the training objective functions and the above information-theoretic formulation. The experimental results show that InfoSCC-GAN outperforms the "vanilla" EigenGAN in the image generation on AFHQ and CelebA datasets. In addition, we investigate the impact of discriminator architectures and loss functions by performing ablation studies. Finally, we demonstrate that thanks to the EigenGAN generator, the proposed framework enjoys a stochastic generation in contrast to vanilla deterministic GANs yet with the independent training of encoder, classifier, and generator in contrast to existing frameworks. Code, experimental results, and demos are available online at https://github.com/vkinakh/InfoSCC-GAN.

Taoli Cheng, Jean-François Arguin, Julien Leissner-Martin et al.

We present a detailed study on Variational Autoencoders (VAEs) for anomalous jet tagging at the Large Hadron Collider. By taking in low-level jet constituents' information, and training with background QCD jets in an unsupervised manner, the VAE is able to encode important information for reconstructing jets, while learning an expressive posterior distribution in the latent space. When using the VAE as an anomaly detector, we present different approaches to detect anomalies: directly comparing in the input space or, instead, working in the latent space. In order to facilitate general search approaches such as bump-hunt, mass-decorrelated VAEs based on distance correlation regularization are also studied. We find that the naive mass-decorrelated VAEs fail at maintaining proper detection performance, by assigning higher probabilities to some anomalous samples. To build a performant mass-decorrelated anomalous jet tagger, we propose the Outlier Exposed VAE (OE-VAE), for which some outlier samples are introduced in the training process to guide the learned information. OE-VAEs are employed to achieve two goals at the same time: increasing sensitivity of outlier detection and decorrelating jet mass from the anomaly score. We succeed in reaching excellent results from both aspects. Code implementation of this work can be found at https://github.com/taolicheng/VAE-Jet

Debajyoti Sengupta, Matthew Leigh, John Andrew Raine et al.

We introduce a new technique called Drapes to enhance the sensitivity in searches for new physics at the LHC. By training diffusion models on side-band data, we show how background templates for the signal region can be generated either directly from noise, or by partially applying the diffusion process to existing data. In the partial diffusion case, data can be drawn from side-band regions, with the inverse diffusion performed for new target conditional values, or from the signal region, preserving the distribution over the conditional property that defines the signal region. We apply this technique to the hunt for resonances using the LHCO di-jet dataset, and achieve state-of-the-art performance for background template generation using high level input features. We also show how Drapes can be applied to low level inputs with jet constituents, reducing the model dependence on the choice of input observables. Using jet constituents we can further improve sensitivity to the signal process, but observe a loss in performance where the signal significance before applying any selection is below 4$σ$.

Kristian G. Barman, Sascha Caron, Emily Sullivan et al.

This paper explores ideas and provides a potential roadmap for the development and evaluation of physics-specific large-scale AI models, which we call Large Physics Models (LPMs). These models, based on foundation models such as Large Language Models (LLMs) - trained on broad data - are tailored to address the demands of physics research. LPMs can function independently or as part of an integrated framework. This framework can incorporate specialized tools, including symbolic reasoning modules for mathematical manipulations, frameworks to analyse specific experimental and simulated data, and mechanisms for synthesizing theories and scientific literature. We begin by examining whether the physics community should actively develop and refine dedicated models, rather than relying solely on commercial LLMs. We then outline how LPMs can be realized through interdisciplinary collaboration among experts in physics, computer science, and philosophy of science. To integrate these models effectively, we identify three key pillars: Development, Evaluation, and Philosophical Reflection. Development focuses on constructing models capable of processing physics texts, mathematical formulations, and diverse physical data. Evaluation assesses accuracy and reliability by testing and benchmarking. Finally, Philosophical Reflection encompasses the analysis of broader implications of LLMs in physics, including their potential to generate new scientific understanding and what novel collaboration dynamics might arise in research. Inspired by the organizational structure of experimental collaborations in particle physics, we propose a similarly interdisciplinary and collaborative approach to building and refining Large Physics Models. This roadmap provides specific objectives, defines pathways to achieve them, and identifies challenges that must be addressed to realise physics-specific large scale AI models.

Kinga Anna Wozniak, Stephen Mulligan, Jan Kieseler et al.

We introduce a novel approach for end-to-end black-box optimization of high energy physics (HEP) detectors using local deep learning (DL) surrogates. These surrogates approximate a scalar objective function that encapsulates the complex interplay of particle-matter interactions and physics analysis goals. In addition to a standard reconstruction-based metric commonly used in the field, we investigate the information-theoretic metric of mutual information. Unlike traditional methods, mutual information is inherently task-agnostic, offering a broader optimization paradigm that is less constrained by predefined targets. We demonstrate the effectiveness of our method in a realistic physics analysis scenario: optimizing the thicknesses of calorimeter detector layers based on simulated particle interactions. The surrogate model learns to approximate objective gradients, enabling efficient optimization with respect to energy resolution. Our findings reveal three key insights: (1) end-to-end black-box optimization using local surrogates is a practical and compelling approach for detector design, providing direct optimization of detector parameters in alignment with physics analysis goals; (2) mutual information-based optimization yields design choices that closely match those from state-of-the-art physics-informed methods, indicating that these approaches operate near optimality and reinforcing their reliability in HEP detector design; and (3) information-theoretic methods provide a powerful, generalizable framework for optimizing scientific instruments. By reframing the optimization process through an information-theoretic lens rather than domain-specific heuristics, mutual information enables the exploration of new avenues for discovery beyond conventional approaches.

Franck Rothen, Samuel Klein, Matthew Leigh et al.

Machine learning is becoming increasingly popular in the context of particle physics. Supervised learning, which uses labeled Monte Carlo (MC) simulations, remains one of the most widely used methods for discriminating signals beyond the Standard Model. However, this paper suggests that supervised models may depend excessively on artifacts and approximations from Monte Carlo simulations, potentially limiting their ability to generalize well to real data. This study aims to enhance the generalization properties of supervised models by reducing the sharpness of local minima. It reviews the application of four distinct white-box adversarial attacks in the context of classifying Higgs boson decay signals. The attacks are divided into weight-space attacks and feature-space attacks. To study and quantify the sharpness of different local minima, this paper presents two analysis methods: gradient ascent and reduced Hessian eigenvalue analysis. The results show that white-box adversarial attacks significantly improve generalization performance, albeit with increased computational complexity.

Malte Algren, Tobias Golling, Christopher Pollard et al.

In this paper, we present a novel method for pile-up removal of $pp$ interactions using variational inference with diffusion models, called vipr. Instead of using classification methods to identify which particles are from the primary collision, a generative model is trained to predict the constituents of the hard-scatter particle jets with pile-up removed. This results in an estimate of the full posterior over hard-scatter jet constituents, which has not yet been explored in the context of pile-up removal, yielding a clear advantage over existing methods especially in the presence of imperfect detector efficiency. We evaluate the performance of vipr in a sample of jets from simulated $t\bar{t}$ events overlain with pile-up contamination. vipr outperforms softdrop and has comparable performance to puppiml in predicting the substructure of the hard-scatter jets over a wide range of pile-up scenarios.

Malte Algren, Tobias Golling, Francesco Armando Di Bello et al.

Machine learning (ML) techniques have recently enabled enormous gains in sensitivity to new phenomena across the sciences. In particle physics, much of this progress has relied on excellent simulations of a wide range of physical processes. However, due to the sophistication of modern machine learning algorithms and their reliance on high-quality training samples, discrepancies between simulation and experimental data can significantly limit their effectiveness. In this work, we present a solution to this ``misspecification'' problem: a model calibration approach based on optimal transport, which we apply to high-dimensional simulations for the first time. We demonstrate the performance of our approach through jet tagging, using a dataset inspired by the CMS experiment at the Large Hadron Collider. A 128-dimensional internal jet representation from a powerful general-purpose classifier is studied; after calibrating this internal ``latent'' representation, we find that a wide variety of quantities derived from it for downstream tasks are also properly calibrated: using this calibrated high-dimensional representation, powerful new applications of jet flavor information can be utilized in LHC analyses. This is a key step toward allowing the unbiased use of ``foundation models'' in particle physics. More broadly, this calibration framework has broad applications for correcting high-dimensional simulations across the sciences.

Sascha Caron, Andreas Ipp, Gert Aarts et al.

Artificial intelligence (AI) is transforming scientific research, with deep learning methods playing a central role in data analysis, simulations, and signal detection across particle, nuclear, and astroparticle physics. Within the JENA communities-ECFA, NuPECC, and APPEC-and as part of the EuCAIF initiative, AI integration is advancing steadily. However, broader adoption remains constrained by challenges such as limited computational resources, a lack of expertise, and difficulties in transitioning from research and development (R&D) to production. This white paper provides a strategic roadmap, informed by a community survey, to address these barriers. It outlines critical infrastructure requirements, prioritizes training initiatives, and proposes funding strategies to scale AI capabilities across fundamental physics over the next five years.

Ivan Oleksiyuk, Svyatoslav Voloshynovskiy, Tobias Golling

We introduce a new model for conditional and continuous data morphing called TRansport Adversarial Network for Smooth InTerpolation (TRANSIT). We apply it to create a background data template for weakly-supervised searches at the LHC. The method smoothly transforms sideband events to match signal region mass distributions. We demonstrate the performance of TRANSIT using the LHC Olympics R\&D dataset. The model captures non-linear mass correlations of features and produces a template that offers a competitive anomaly sensitivity compared to state-of-the-art transport-based template generators. Moreover, the computational training time required for TRANSIT is an order of magnitude lower than that of competing deep learning methods. This makes it ideal for analyses that iterate over many signal regions and signal models. Unlike generative models, which must learn a full probability density distribution, i.e., the correlations between all the variables, the proposed transport model only has to learn a smooth conditional shift of the distribution. This allows for a simpler, more efficient residual architecture, enabling mass uncorrelated features to pass the network unchanged while the mass correlated features are adjusted accordingly. Furthermore, we show that the latent space of the model provides a set of mass decorrelated features useful for anomaly detection without background sculpting.

Guillaume Quétant, John Andrew Raine, Matthew Leigh et al.

This paper presents a novel approach for directly generating full events at detector-level from parton-level information, leveraging cutting-edge machine learning techniques. To address the challenge of multiplicity variations between parton and reconstructed object spaces, we employ transformers, score-based models and normalizing flows. Our method tackles the inherent complexities of the stochastic transition between these two spaces and achieves remarkably accurate results. The combination of innovative techniques and the achieved accuracy demonstrates the potential of our approach in advancing the field and opens avenues for further exploration. This research contributes to the ongoing efforts in high-energy physics and generative modelling, providing a promising direction for enhanced precision in fast detector simulation.

Tobias Golling, Lukas Heinrich, Michael Kagan et al.

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Debajyoti Sengupta, Samuel Klein, John Andrew Raine et al.

Model independent techniques for constructing background data templates using generative models have shown great promise for use in searches for new physics processes at the LHC. We introduce a major improvement to the CURTAINs method by training the conditional normalizing flow between two side-band regions using maximum likelihood estimation instead of an optimal transport loss. The new training objective improves the robustness and fidelity of the transformed data and is much faster and easier to train. We compare the performance against the previous approach and the current state of the art using the LHC Olympics anomaly detection dataset, where we see a significant improvement in sensitivity over the original CURTAINs method. Furthermore, CURTAINsF4F requires substantially less computational resources to cover a large number of signal regions than other fully data driven approaches. When using an efficient configuration, an order of magnitude more models can be trained in the same time required for ten signal regions, without a significant drop in performance.

Guillaume Quétant, Mariia Drozdova, Vitaliy Kinakh et al.

We present Turbo-Sim, a generalised autoencoder framework derived from principles of information theory that can be used as a generative model. By maximising the mutual information between the input and the output of both the encoder and the decoder, we are able to rediscover the loss terms usually found in adversarial autoencoders and generative adversarial networks, as well as various more sophisticated related models. Our generalised framework makes these models mathematically interpretable and allows for a diversity of new ones by setting the weight of each loss term separately. The framework is also independent of the intrinsic architecture of the encoder and the decoder thus leaving a wide choice for the building blocks of the whole network. We apply Turbo-Sim to a collider physics generation problem: the transformation of the properties of several particles from a theory space, right after the collision, to an observation space, right after the detection in an experiment.

Mariia Drozdova, Vitaliy Kinakh, Guillaume Quétant et al.

The generation of discontinuous distributions is a difficult task for most known frameworks such as generative autoencoders and generative adversarial networks. Generative non-invertible models are unable to accurately generate such distributions, require long training and often are subject to mode collapse. Variational autoencoders (VAEs), which are based on the idea of keeping the latent space to be Gaussian for the sake of a simple sampling, allow an accurate reconstruction, while they experience significant limitations at generation task. In this work, instead of trying to keep the latent space to be Gaussian, we use a pre-trained contrastive encoder to obtain a clustered latent space. Then, for each cluster, representing a unimodal submanifold, we train a dedicated low complexity network to generate this submanifold from the Gaussian distribution. The proposed framework is based on the information-theoretic formulation of mutual information maximization between the input data and latent space representation. We derive a link between the cost functions and the information-theoretic formulation. We apply our approach to synthetic 2D distributions to demonstrate both reconstruction and generation of discontinuous distributions using continuous stochastic networks.

Samuel Klein, John A. Raine, Sebastian Pina-Otey et al.

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.

Sabrina Amrouche, Laurent Basara, Paolo Calafiura et al.

This paper reports on the second "Throughput" phase of the Tracking Machine Learning (TrackML) challenge on the Codalab platform. As in the first "Accuracy" phase, the participants had to solve a difficult experimental problem linked to tracking accurately the trajectory of particles as e.g. created at the Large Hadron Collider (LHC): given O($10^5$) points, the participants had to connect them into O($10^4$) individual groups that represent the particle trajectories which are approximated helical. While in the first phase only the accuracy mattered, the goal of this second phase was a compromise between the accuracy and the speed of inference. Both were measured on the Codalab platform where the participants had to upload their software. The best three participants had solutions with good accuracy and speed an order of magnitude faster than the state of the art when the challenge was designed. Although the core algorithms were less diverse than in the first phase, a diversity of techniques have been used and are described in this paper. The performance of the algorithms are analysed in depth and lessons derived.

Sabrina Amrouche, Moritz Kiehn, Tobias Golling et al.

We propose a novel approach to charged particle tracking at high intensity particle colliders based on Approximate Nearest Neighbors search. With hundreds of thousands of measurements per collision to be reconstructed e.g. at the High Luminosity Large Hadron Collider, the currently employed combinatorial track finding approaches become inadequate. Here, we use hashing techniques to separate measurements into buckets of 20-50 hits and increase their purity using metric learning. Two different approaches are studied to further resolve tracks inside buckets: Local Fisher Discriminant Analysis and Neural Networks for triplet similarity learning. We demonstrate the proposed approach on simulated collisions and show significant speed improvement with bucket tracking efficiency of 96% and a fake rate of 8% on unseen particle events.

Kim Albertsson, Piero Altoe, Dustin Anderson et al.

Machine learning has been applied to several problems in particle physics research, beginning with applications to high-level physics analysis in the 1990s and 2000s, followed by an explosion of applications in particle and event identification and reconstruction in the 2010s. In this document we discuss promising future research and development areas for machine learning in particle physics. We detail a roadmap for their implementation, software and hardware resource requirements, collaborative initiatives with the data science community, academia and industry, and training the particle physics community in data science. The main objective of the document is to connect and motivate these areas of research and development with the physics drivers of the High-Luminosity Large Hadron Collider and future neutrino experiments and identify the resource needs for their implementation. Additionally we identify areas where collaboration with external communities will be of great benefit.