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 fundamental science


Strategic White Paper on AI Infrastructure for Particle, Nuclear, and Astroparticle Physics: Insights from JENA and EuCAIF

arXiv.org Artificial Intelligence

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.


Supporting the development of Machine Learning for fundamental science in a federated Cloud with the AI_INFN platform

arXiv.org Artificial Intelligence

Machine Learning (ML) is driving a revolution in the way scientists design, develop, and deploy data-intensive software. However, the adoption of ML presents new challenges for the computing infrastructure, particularly in terms of provisioning and orchestrating access to hardware accelerators for development, testing, and production. The INFN-funded project AI_INFN ("Artificial Intelligence at INFN") aims at fostering the adoption of ML techniques within INFN use cases by providing support on multiple aspects, including the provision of AI-tailored computing resources. It leverages cloud-native solutions in the context of INFN Cloud, to share hardware accelerators as e ffec-tively as possible, ensuring the diversity of the Institute's research activities is not compromised. In this contribution, we provide an update on the commissioning of a Kubernetes platform designed to ease the development of GPU-powered data analysis workflows and their scalability on heterogeneous, distributed computing resources, possibly federated as Virtual Kubelets with the interLink provider.


The Future of Fundamental Science Led by Generative Closed-Loop Artificial Intelligence

arXiv.org Artificial Intelligence

Recent advances in machine learning and AI, including Generative AI and LLMs, are disrupting technological innovation, product development, and society as a whole. AI's contribution to technology can come from multiple approaches that require access to large training data sets and clear performance evaluation criteria, ranging from pattern recognition and classification to generative models. Yet, AI has contributed less to fundamental science in part because large data sets of high-quality data for scientific practice and model discovery are more difficult to access. Generative AI, in general, and Large Language Models in particular, may represent an opportunity to augment and accelerate the scientific discovery of fundamental deep science with quantitative models. Here we explore and investigate aspects of an AI-driven, automated, closed-loop approach to scientific discovery, including self-driven hypothesis generation and open-ended autonomous exploration of the hypothesis space. Integrating AI-driven automation into the practice of science would mitigate current problems, including the replication of findings, systematic production of data, and ultimately democratisation of the scientific process. Realising these possibilities requires a vision for augmented AI coupled with a diversity of AI approaches able to deal with fundamental aspects of causality analysis and model discovery while enabling unbiased search across the space of putative explanations. These advances hold the promise to unleash AI's potential for searching and discovering the fundamental structure of our world beyond what human scientists have been able to achieve. Such a vision would push the boundaries of new fundamental science rather than automatize current workflows and instead open doors for technological innovation to tackle some of the greatest challenges facing humanity today.


Deeply Uncertain: Comparing Methods of Uncertainty Quantification in Deep Learning Algorithms

arXiv.org Machine Learning

We present a comparison of methods for uncertainty quantification (UQ) in deep learning algorithms in the context of a simple physical system. Three of the most common uncertainty quantification methods - Bayesian Neural Networks (BNN), Concrete Dropout (CD), and Deep Ensembles (DE) - are compared to the standard analytic error propagation. We discuss this comparison in terms endemic to both machine learning ("epistemic" and "aleatoric") and the physical sciences ("statistical" and "systematic"). The comparisons are presented in terms of simulated experimental measurements of a single pendulum - a prototypical physical system for studying measurement and analysis techniques. Our results highlight some pitfalls that may occur when using these UQ methods. For example, when the variation of noise in the training set is small, all methods predicted the same relative uncertainty independently of the inputs. This issue is particularly hard to avoid in BNN. On the other hand, when the test set contains samples far from the training distribution, we found that no methods sufficiently increased the uncertainties associated to their predictions. This problem was particularly clear for CD. In light of these results, we make some recommendations for usage and interpretation of UQ methods.


Robust posterior inference when statistically emulating forward simulations

arXiv.org Machine Learning

Scientific analyses often rely on slow, but accurate forward models for observable data conditioned on known model parameters. While various emulation schemes exist to approximate these slow calculations, these approaches are only safe if the approximations are well understood and controlled. This workshop submission reviews and updates a previously published method, which has been used in cosmological simulations, to (1) train an emulator while simultaneously estimating posterior probabilities with MCMC and (2) explicitly propagate the emulation error into errors on the posterior probabilities for model parameters. We demonstrate how these techniques can be applied to quickly estimate posterior distributions for parameters of the $\Lambda$CDM cosmology model, while also gauging the robustness of the emulator approximation.