Parameter Estimation using Neural Networks in the Presence of Detector Effects

Histogram-based template fits are the main technique used for estimating parameters of high energy physics Monte Carlo generators. Parameterized neural network reweighting can be used to extend this fitting procedure to many dimensions and does not require binning. If the fit is to be performed using reconstructed data, then expensive detector simulations must be used for training the neural networks. We introduce a new two-level fitting approach that only requires one dataset with detector simulation and then a set of additional generation-level datasets without detector effects included. This Simulation-level fit based on Reweighting Generator-level events with Neural networks (SRGN) is demonstrated using simulated datasets for a variety of examples including a simple Gaussian random variable, parton shower tuning, and the top quark mass extraction.

GANplifying Event Samples

A critical question concerning generative networks applied to event generation in particle physics is if the generated events add statistical precision beyond the training sample. We show for a simple example with increasing dimensionality how generative networks indeed amplify the training statistics. We quantify their impact through an amplification factor or equivalent numbers of sampled events.

Simulation-Assisted Decorrelation for Resonant Anomaly Detection

A growing number of weak- and unsupervised machine learning approaches to anomaly detection are being proposed to significantly extend the search program at the Large Hadron Collider and elsewhere. One of the prototypical examples for these methods is the search for resonant new physics, where a bump hunt can be performed in an invariant mass spectrum. A significant challenge to methods that rely entirely on data is that they are susceptible to sculpting artificial bumps from the dependence of the machine learning classifier on the invariant mass. We explore two solutions to this challenge by minimally incorporating simulation into the learning. In particular, we study the robustness of Simulation Assisted Likelihood-free Anomaly Detection (SALAD) to correlations between the classifier and the invariant mass. Next, we propose a new approach that only uses the simulation for decorrelation but the Classification without Labels (CWoLa) approach for achieving signal sensitivity. Both methods are compared using a full background fit analysis on simulated data from the LHC Olympics and are robust to correlations in the data.

DCTRGAN: Improving the Precision of Generative Models with Reweighting

Significant advances in deep learning have led to more widely used and precise neural network-based generative models such as Generative Adversarial Networks (GANs). We introduce a post-hoc correction to deep generative models to further improve their fidelity, based on the Deep neural networks using the Classification for Tuning and Reweighting (DCTR) protocol. The correction takes the form of a reweighting function that can be applied to generated examples when making predictions from the simulation. We illustrate this approach using GANs trained on standard multimodal probability densities as well as calorimeter simulations from high energy physics. We show that the weighted GAN examples significantly improve the accuracy of the generated samples without a large loss in statistical power. This approach could be applied to any generative model and is a promising refinement method for high energy physics applications and beyond.

Simulation Assisted Likelihood-free Anomaly Detection

Given the lack of evidence for new particle discoveries at the Large Hadron Collider (LHC), it is critical to broaden the search program. A variety of model-independent searches have been proposed, adding sensitivity to unexpected signals. There are generally two types of such searches: those that rely heavily on simulations and those that are entirely based on (unlabeled) data. This paper introduces a hybrid method that makes the best of both approaches. For potential signals that are resonant in one known feature, this new method first learns a parameterized reweighting function to morph a given simulation to match the data in sidebands. This function is then interpolated into the signal region and then the reweighted background-only simulation can be used for supervised learning as well as for background estimation. The background estimation from the reweighted simulation allows for non-trivial correlations between features used for classification and the resonant feature. A dijet search with jet substructure is used to illustrate the new method. Future applications of Simulation Assisted Likelihood-free Anomaly Detection (SALAD) include a variety of final states and potential combinations with other model-independent approaches.

Anomaly Detection with Density Estimation

We leverage recent breakthroughs in neural density estimation to propose a new unsupervised anomaly detection technique (ANODE). By estimating the probability density of the data in a signal region and in sidebands, and interpolating the latter into the signal region, a likelihood ratio of data vs. background can be constructed. This likelihood ratio is broadly sensitive to overdensities in the data that could be due to localized anomalies. In addition, a unique potential benefit of the ANODE method is that the background can be directly estimated using the learned densities. Finally, ANODE is robust against systematic differences between signal region and sidebands, giving it broader applicability than other methods. We demonstrate the power of this new approach using the LHC Olympics 2020 R\&D Dataset. We show how ANODE can enhance the significance of a dijet bump hunt by up to a factor of 7 with a 10\% accuracy on the background prediction. While the LHC is used as the recurring example, the methods developed here have a much broader applicability to anomaly detection in physics and beyond.

OmniFold: A Method to Simultaneously Unfold All Observables

Collider data must be corrected for detector effects ("unfolded") to be compared with theoretical calculations and measurements from other experiments. Unfolding is traditionally done for individual, binned observables without including all information relevant for characterizing the detector response. We introduce OmniFold, an unfolding method that iteratively reweights a simulated dataset, using machine learning to capitalize on all available information. Our approach is unbinned, works for arbitrarily high-dimensional data, and naturally incorporates information from the full phase space. We illustrate this technique on a realistic jet substructure example from the Large Hadron Collider and compare it to standard binned unfolding methods. This new paradigm enables the simultaneous measurement of all observables, including those not yet invented at the time of the analysis.

AI Safety for High Energy Physics

The field of high-energy physics (HEP), along with many scientific disciplines, is currently experiencing a dramatic influx of new methodologies powered by modern machine learning techniques. Over the last few years, a growing body of HEP literature has focused on identifying promising applications of deep learning in particular, and more recently these techniques are starting to be realized in an increasing number of experimental measurements. The overall conclusion from this impressive and extensive set of studies is that rarer and more complex physics signatures can be identified with the new set of powerful tools from deep learning. However, there is an unstudied systematic risk associated with combining the traditional HEP workflow and deep learning with high-dimensional data. In particular, calibrating and validating the response of deep neural networks is in general not experimentally feasible, and therefore current methods may be biased in ways that are not covered by current uncertainty estimates. By borrowing ideas from AI safety, we illustrate these potential issues and propose a method to bound the size of unaccounted for uncertainty. In addition to providing a pragmatic diagnostic, this work will hopefully begin a dialogue within the community about the robust application of deep learning to experimental analyses.

Neural Networks for Full Phase-space Reweighting and Parameter Tuning

Precise scientific analysis in collider-based particle physics is possible because of complex simulations that connect fundamental theories to observable quantities. The significant computational cost of these programs limits the scope, precision, and accuracy of Standard Model measurements and searches for new phenomena. We therefore introduce Deep neural networks using Classification for Tuning and Reweighting (DCTR), a neural network-based approach to reweight and fit simulations using all kinematic and flavor information -- the full phase space. DCTR can perform tasks that are currently not possible with existing methods, such as estimating non-perturbative fragmentation uncertainties. The core idea behind the new approach is to exploit powerful high-dimensional classifiers to reweight phase space as well as to identify the best parameters for describing data. Numerical examples from $e^+e^-\rightarrow\text{jets}$ demonstrate the fidelity of these methods for simulation parameters that have a big and broad impact on phase space as well as those that have a minimal and/or localized impact. The high fidelity of the full phase-space reweighting enables a new paradigm for simulations, parameter tuning, and model systematic uncertainties across particle physics and possibly beyond.