Scientific discoveries are often made by finding a pattern or object that was not predicted by the known rules of science. Oftentimes, these anomalous events or objects that do not conform to the norms are an indication that the rules of science governing the data are incomplete, and something new needs to be present to explain these unexpected outliers. The challenge of finding anomalies can be confounding since it requires codifying a complete knowledge of the known scientific behaviors and then projecting these known behaviors on the data to look for deviations. When utilizing machine learning, this presents a particular challenge since we require that the model not only understands scientific data perfectly but also recognizes when the data is inconsistent and out of the scope of its trained behavior. In this paper, we present three datasets aimed at developing machine learning-based anomaly detection for disparate scientific domains covering astrophysics, genomics, and polar science. We present the different datasets along with a scheme to make machine learning challenges around the three datasets findable, accessible, interoperable, and reusable (FAIR). Furthermore, we present an approach that generalizes to future machine learning challenges, enabling the possibility of large, more compute-intensive challenges that can ultimately lead to scientific discovery.

We introduce SymbolFit, a framework that automates parametric modeling by using symbolic regression to perform a machine-search for functions that fit the data, while simultaneously providing uncertainty estimates in a single run. Traditionally, constructing a parametric model to accurately describe binned data has been a manual and iterative process, requiring an adequate functional form to be determined before the fit can be performed. The main challenge arises when the appropriate functional forms cannot be derived from first principles, especially when there is no underlying true closed-form function for the distribution. In this work, we address this problem by utilizing symbolic regression, a machine learning technique that explores a vast space of candidate functions without needing a predefined functional form, treating the functional form itself as a trainable parameter. Our approach is demonstrated in data analysis applications in high-energy physics experiments at the CERN Large Hadron Collider (LHC). We demonstrate its effectiveness and efficiency using five real proton-proton collision datasets from new physics searches at the LHC, namely the background modeling in resonance searches for high-mass dijet, trijet, paired-dijet, diphoton, and dimuon events. We also validate the framework using several toy datasets with one and more variables.

Abstract--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. Ground-breaking science requires instruments that push sensing technology with increasing spatial and temporal resolution to explore nature at unprecedented scales and in extreme environments.

Model size and inference speed at deployment time, are major challenges in many deep learning applications. A promising strategy to overcome these challenges is quantization. However, a straightforward uniform quantization to very low precision can result in significant accuracy loss. Mixed-precision quantization, based on the idea that certain parts of the network can accommodate lower precision without compromising performance compared to other parts, offers a potential solution. In this work, we present High Granularity Quantization (HGQ), an innovative quantization-aware training method designed to fine-tune the per-weight and per-activation precision in an automatic way for ultra-low latency and low power neural networks which are to be deployed on FPGAs. We demonstrate that HGQ can outperform existing methods by a substantial margin, achieving resource reduction by up to a factor of 20 and latency improvement by a factor of 5 while preserving accuracy.

Nature Machine Intelligence Dear Editors, We are hereby submitting the paper'AXXX' to Nature Machine Intelligence as we believe that the content fits the target audience of this Journal and the novelty criteria you require. To our knowledge the present study is the first demonstration of the application of graph neural networks for jet tagging on FPGAs for inference time within O(100) ns. Using the HLS4ML library combined with quantization-aware training and efficient FPGA implementations, we show that O(100) ns inference of complex architectures like graph convolutional neural networks, garnet and interaction networks is feasible at low resource-cost. Our target application is the real-time processing of Large Hadron Collider (LHC) data. However, we believe that the proposed solution could fit other problems related to low latency data selection beyond the LHC. The conditions at the LHC are unique and at the extreme end of the inference-on-the-edge spectrum.

This work introduces a highly efficient implementation of the transformer architecture on a Field-Programmable Gate Array (FPGA) by using the \texttt{hls4ml} tool. Given the demonstrated effectiveness of transformer models in addressing a wide range of problems, their application in experimental triggers within particle physics becomes a subject of significant interest. In this work, we have implemented critical components of a transformer model, such as multi-head attention and softmax layers. To evaluate the effectiveness of our implementation, we have focused on a particle physics jet flavor tagging problem, employing a public dataset. We recorded latency under 2 $\mu$s on the Xilinx UltraScale+ FPGA, which is compatible with hardware trigger requirements at the CERN Large Hadron Collider experiments.

Contrary to the use of genetic programming, the neural network approach to symbolic regression can scale well with high input dimension and leverage gradient methods for faster equation searching. Common ways of constraining expression complexity have relied on multistage pruning methods with fine-tuning, but these often lead to significant performance loss. In this work, we propose SymbolNet, a neural network approach to symbolic regression in a novel framework that enables dynamic pruning of model weights, input features, and mathematical operators in a single training, where both training loss and expression complexity are optimized simultaneously. We introduce a sparsity regularization term per pruning type, which can adaptively adjust its own strength and lead to convergence to a target sparsity level. In contrast to most existing symbolic regression methods that cannot efficiently handle datasets with more than $O$(10) inputs, we demonstrate the effectiveness of our model on the LHC jet tagging task (16 inputs), MNIST (784 inputs), and SVHN (3072 inputs).

Neural networks achieve state-of-the-art performance in image classification, speech recognition, scientific analysis and many more application areas. Due to the high computational complexity and memory footprint of neural networks, various compression techniques, such as pruning and quantization, have been proposed in literature. Pruning sparsifies a neural network, reducing the number of multiplications and memory. However, pruning often fails to capture properties of the underlying hardware, causing unstructured sparsity and load-balance inefficiency, thus bottlenecking resource improvements. We propose a hardware-centric formulation of pruning, by formulating it as a knapsack problem with resource-aware tensor structures. Evaluated on a range of tasks, including sub-microsecond particle classification at CERN's Large Hadron Collider and fast image classification, the proposed method achieves reductions ranging between 55% and 92% in the DSP utilization and up to 81% in BRAM utilization.

Deep neural networks use skip connections to improve training convergence. However, these skip connections are costly in hardware, requiring extra buffers and increasing on- and off-chip memory utilization and bandwidth requirements. In this paper, we show that skip connections can be optimized for hardware when tackled with a hardware-software codesign approach. We argue that while a network's skip connections are needed for the network to learn, they can later be removed or shortened to provide a more hardware efficient implementation with minimal to no accuracy loss. We introduce Tailor, a codesign tool whose hardware-aware training algorithm gradually removes or shortens a fully trained network's skip connections to lower their hardware cost. Tailor improves resource utilization by up to 34% for BRAMs, 13% for FFs, and 16% for LUTs for on-chip, dataflow-style architectures. Tailor increases performance by 30% and reduces memory bandwidth by 45% for a 2D processing element array architecture.

The high-energy physics community is investigating the feasibility of deploying machine-learning-based solutions on Field-Programmable Gate Arrays (FPGAs) to improve physics sensitivity while meeting data processing latency limitations. In this contribution, we introduce a novel end-to-end procedure that utilizes a machine learning technique called symbolic regression (SR). It searches equation space to discover algebraic relations approximating a dataset. We use PySR (software for uncovering these expressions based on evolutionary algorithm) and extend the functionality of hls4ml (a package for machine learning inference in FPGAs) to support PySR -generated expressions for resource-constrained production environments. Deep learning models often optimise the top metric by pinning the network size because vast hyperparameter space prevents extensive neural architecture search. Conversely, SR selects a set of models on the Pareto front, which allows for optimising the performanceresource tradeoff directly. By embedding symbolic forms, our implementation can dramatically reduce the computational resources needed to perform critical tasks. We validate our procedure on a physics benchmark: multiclass classification of jets produced in simulated proton-proton collisions at the CERN Large Hadron Collider, and show that we approximate a 3-layer neural network with an inference model that has as low as 5 ns execution time (a reduction by a factor of 13) and over 90% approximation accuracy.