Gaia Grosso

Marco Letizia, Gianvito Losapio, Marco Rando et al.

We present a machine learning approach for model-independent new physics searches. The corresponding algorithm is powered by recent large-scale implementations of kernel methods, nonparametric learning algorithms that can approximate any continuous function given enough data. Based on the original proposal by D'Agnolo and Wulzer (arXiv:1806.02350), the model evaluates the compatibility between experimental data and a reference model, by implementing a hypothesis testing procedure based on the likelihood ratio. Model-independence is enforced by avoiding any prior assumption about the presence or shape of new physics components in the measurements. We show that our approach has dramatic advantages compared to neural network implementations in terms of training times and computational resources, while maintaining comparable performances. In particular, we conduct our tests on higher dimensional datasets, a step forward with respect to previous studies.

Gaia Grosso, Nicolò Lai, Marco Letizia et al.

We here propose a machine learning approach for monitoring particle detectors in real-time. The goal is to assess the compatibility of incoming experimental data with a reference dataset, characterising the data behaviour under normal circumstances, via a likelihood-ratio hypothesis test. The model is based on a modern implementation of kernel methods, nonparametric algorithms that can learn any continuous function given enough data. The resulting approach is efficient and agnostic to the type of anomaly that may be present in the data. Our study demonstrates the effectiveness of this strategy on multivariate data from drift tube chamber muon detectors.

Gaia Grosso, Sai Sumedh R. Hindupur, Thomas Fel et al.

Modern artificial intelligence has revolutionized our ability to extract rich and versatile data representations across scientific disciplines. Yet, the statistical properties of these representations remain poorly controlled, causing misspecified anomaly detection (AD) methods to falter. Weak or rare signals can remain hidden within the apparent regularity of normal data, creating a gap in our ability to detect and interpret anomalies. We examine this gap and identify a set of structural desiderata for detection methods operating under minimal prior information: sparsity, to enforce parsimony; locality, to preserve geometric sensitivity; and competition, to promote efficient allocation of model capacity. These principles define a class of self-organizing local kernels that adaptively partition the representation space around regions of statistical imbalance. As an instantiation of these principles, we introduce SparKer, a sparse ensemble of Gaussian kernels trained within a semi-supervised Neyman--Pearson framework to locally model the likelihood ratio between a sample that may contain anomalies and a nominal, anomaly-free reference. We provide theoretical insights into the mechanisms that drive detection and self-organization in the proposed model, and demonstrate the effectiveness of this approach on realistic high-dimensional problems of scientific discovery, open-world novelty detection, intrusion detection, and generative-model validation. Our applications span both the natural- and computer-science domains. We demonstrate that ensembles containing only a handful of kernels can identify statistically significant anomalous locations within representation spaces of thousands of dimensions, underscoring both the interpretability, efficiency and scalability of the proposed approach.

Gaia Grosso, Marco Letizia

In this work, we address the question of how to enhance signal-agnostic searches by leveraging multiple testing strategies. Specifically, we consider hypothesis tests relying on machine learning, where model selection can introduce a bias towards specific families of new physics signals. We show that it is beneficial to combine different tests, characterised by distinct choices of hyperparameters, and that performances comparable to the best available test are generally achieved while providing a more uniform response to various types of anomalies. Focusing on the New Physics Learning Machine, a methodology to perform a signal-agnostic likelihood-ratio test, we explore a number of approaches to multiple testing, such as combining p-values and aggregating test statistics.

Pietro Cappelli, Gaia Grosso, Marco Letizia et al.

Generative models are increasingly central to scientific workflows, yet their systematic use and interpretation require a proper understanding of their limitations through rigorous validation. Classic approaches struggle with scalability, statistical power, or interpretability when applied to high-dimensional data, making it difficult to certify the reliability of these models in realistic, high-dimensional scientific settings. Here, we propose the use of the New Physics Learning Machine (NPLM), a learning based approach to goodness-of-fit testing inspired by the Neyman-Pearson construction, to test generative networks trained on high-dimensional scientific data. We demonstrate the performance of NPLM for validation in two benchmark cases: generative models trained on mixtures of Gaussian models with increasing dimensionality, and a public end-to-end generator for the Large Hadron Collider called FlashSim, trained on jet data, typical in the field of high-energy physics. We demonstrate that the NPLM can serve as a powerful validation method while also providing a means to diagnose sub-optimally modeled regions of the data.

Samuel Bright-Thonney, Christina Reissel, Gaia Grosso et al.

Novelty detection in large scientific datasets faces two key challenges: the noisy and high-dimensional nature of experimental data, and the necessity of making statistically robust statements about any observed outliers. While there is a wealth of literature on anomaly detection via dimensionality reduction, most methods do not produce outputs compatible with quantifiable claims of scientific discovery. In this work we directly address these challenges, presenting the first step towards a unified pipeline for novelty detection adapted for the rigorous statistical demands of science. We introduce AutoSciDACT (Automated Scientific Discovery with Anomalous Contrastive Testing), a general-purpose pipeline for detecting novelty in scientific data. AutoSciDACT begins by creating expressive low-dimensional data representations using a contrastive pre-training, leveraging the abundance of high-quality simulated data in many scientific domains alongside expertise that can guide principled data augmentation strategies. These compact embeddings then enable an extremely sensitive machine learning-based two-sample test using the New Physics Learning Machine (NPLM) framework, which identifies and statistically quantifies deviations in observed data relative to a reference distribution (null hypothesis). We perform experiments across a range of astronomical, physical, biological, image, and synthetic datasets, demonstrating strong sensitivity to small injections of anomalous data across all domains.