Reliable edge machine learning hardware for scientific applications

Extreme data rate scientific experiments create massive amounts of data that require efficient ML edge processing. This leads to unique validation challenges for VLSI implementations of ML algorithms: enabling bit-accurate functional simulations for performance validation in experimental software frameworks, verifying those ML models are robust under extreme quantization and pruning, and enabling ultra-fine-grained model inspection for efficient fault tolerance. We discuss approaches to developing and validating reliable algorithms at the scientific edge under such strict latency, resource, power, and area requirements in extreme experimental environments. We study metrics for developing robust algorithms, present preliminary results and mitigation strategies, and conclude with an outlook of these and future directions of research towards the longer-term goal of developing autonomous scientific experimentation methods for accelerated scientific discovery.

FAIR AI Models in High Energy Physics

The findable, accessible, interoperable, and reusable (FAIR) data principles have provided a framework for examining, evaluating, and improving how we share data with the aim of facilitating scientific discovery. Efforts have been made to generalize these principles to research software and other digital products. Artificial intelligence (AI) models -- algorithms that have been trained on data rather than explicitly programmed -- are an important target for this because of the ever-increasing pace with which AI is transforming scientific and engineering domains. In this paper, we propose a practical definition of FAIR principles for AI models and create a FAIR AI project template that promotes adherence to these principles. We demonstrate how to implement these principles using a concrete example from experimental high energy physics: a graph neural network for identifying Higgs bosons decaying to bottom quarks. We study the robustness of these FAIR AI models and their portability across hardware architectures and software frameworks, and report new insights on the interpretability of AI predictions by studying the interplay between FAIR datasets and AI models. Enabled by publishing FAIR AI models, these studies pave the way toward reliable and automated AI-driven scientific discovery.

Particle Graph Autoencoders and Differentiable, Learned Energy Mover's Distance

Autoencoders have useful applications in high energy physics in anomaly detection, particularly for jets - collimated showers of particles produced in collisions such as those at the CERN Large Hadron Collider. We explore the use of graph-based autoencoders, which operate on jets in their "particle cloud" representations and can leverage the interdependencies among the particles within a jet, for such tasks. Additionally, we develop a differentiable approximation to the energy mover's distance via a graph neural network, which may subsequently be used as a reconstruction loss function for autoencoders.

Explaining machine-learned particle-flow reconstruction

The particle-flow (PF) algorithm is used in general-purpose particle detectors to reconstruct a comprehensive particle-level view of the collision by combining information from different subdetectors. A graph neural network (GNN) model, known as the machine-learned particle-flow (MLPF) algorithm, has been developed to substitute the rule-based PF algorithm. However, understanding the model's decision making is not straightforward, especially given the complexity of the set-to-set prediction task, dynamic graph building, and message-passing steps. In this paper, we adapt the layerwise-relevance propagation technique for GNNs and apply it to the MLPF algorithm to gauge the relevant nodes and features for its predictions. Through this process, we gain insight into the model's decision-making.

Applications and Techniques for Fast Machine Learning in Science

In this community review report, we discuss applications and techniques for fast machine learning (ML) in science -- the concept of integrating power ML methods into the real-time experimental data processing loop to accelerate scientific discovery. The material for the report builds on two workshops held by the Fast ML for Science community and covers three main areas: applications for fast ML across a number of scientific domains; techniques for training and implementing performant and resource-efficient ML algorithms; and computing architectures, platforms, and technologies for deploying these algorithms. We also present overlapping challenges across the multiple scientific domains where common solutions can be found. This community report is intended to give plenty of examples and inspiration for scientific discovery through integrated and accelerated ML solutions. This is followed by a high-level overview and organization of technical advances, including an abundance of pointers to source material, which can enable these breakthroughs.

A FAIR and AI-ready Higgs Boson Decay Dataset

To enable the reusability of massive scientific datasets by humans and machines, researchers aim to create scientific datasets that adhere to the principles of findability, accessibility, interoperability, and reusability (FAIR) for data and artificial intelligence (AI) models. This article provides a domain-agnostic, step-by-step assessment guide to evaluate whether or not a given dataset meets each FAIR principle. We then demonstrate how to use this guide to evaluate the FAIRness of an open simulated dataset produced by the CMS Collaboration at the CERN Large Hadron Collider. This dataset consists of Higgs boson decays and quark and gluon background, and is available through the CERN Open Data Portal. We also use other available tools to assess the FAIRness of this dataset, and incorporate feedback from members of the FAIR community to validate our results. This article is accompanied by a Jupyter notebook to facilitate an understanding and exploration of the dataset, including visualization of its elements. This study marks the first in a planned series of articles that will guide scientists in the creation and quantification of FAIRness in high energy particle physics datasets and AI models.

Estimation of 2D Velocity Model using Acoustic Signals and Convolutional Neural Networks

The parameters estimation of a system using indirect measurements over the same system is a problem that occurs in many fields of engineering, known as the inverse problem. It also happens in the field of underwater acoustic, especially in mediums that are not transparent enough. In those cases, shape identification of objects using only acoustic signals is a challenge because it is carried out with information of echoes that are produced by objects with different densities from that of the medium. In general, these echoes are difficult to understand since their information is usually noisy and redundant. In this paper, we propose a model of convolutional neural network with an Encoder-Decoder configuration to estimate both localization and shape of objects, which produce reflected signals. This model allows us to obtain a 2D velocity model. The model was trained with data generated by the finite-difference method, and it achieved a value of 98.58% in the intersection over union metric 75.88% in precision and 64.69% in sensibility.

On the Implementation of GNU Prolog

GNU Prolog is a general-purpose implementation of the Prolog language, which distinguishes itself from most other systems by being, above all else, a native-code compiler which produces standalone executables which don't rely on any byte-code emulator or meta-interpreter. Other aspects which stand out include the explicit organization of the Prolog system as a multipass compiler, where intermediate representations are materialized, in Unix compiler tradition. GNU Prolog also includes an extensible and high-performance finite domain constraint solver, integrated with the Prolog language but implemented using independent lower-level mechanisms. This article discusses the main issues involved in designing and implementing GNU Prolog: requirements, system organization, performance and portability issues as well as its position with respect to other Prolog system implementations and the ISO standardization initiative.

Parallel local search for solving Constraint Problems on the Cell Broadband Engine (Preliminary Results)

We explore the use of the Cell Broadband Engine (Cell/BE for short) for combinatorial optimization applications: we present a parallel version of a constraint-based local search algorithm that has been implemented on a multiprocessor BladeCenter machine with twin Cell/BE processors (total of 16 SPUs per blade). This algorithm was chosen because it fits very well the Cell/BE architecture and requires neither shared memory nor communication between processors, while retaining a compact memory footprint. We study the performance on several large optimization benchmarks and show that this achieves mostly linear time speedups, even sometimes super-linear. This is possible because the parallel implementation might explore simultaneously different parts of the search space and therefore converge faster towards the best sub-space and thus towards a solution. Besides getting speedups, the resulting times exhibit a much smaller variance, which benefits applications where a timely reply is critical.