Machine-learned particle flow as a foundation model for collider physics

The workflow from particle collision to physics analysis passes through a series of reconstruction steps that are traditionally modular and disconnected, with no shared representation linking low-level detector data to high-level analysis tasks. We show that casting event reconstruction as a machine learning problem naturally produces such a shared representation. We repurpose a machine learning model trained for particle-flow reconstruction (MLPF) to perform three distinct analysis tasks: jet flavor identification, jet energy regression, and missing momentum regression. By appending the per-particle latent representations learned during reconstruction as additional input features, we substantially improve over baselines that use kinematic features alone. We further demonstrate that a single linear layer trained using only the latent representations achieves competitive performance against state-of-the-art baseline architectures, and outperforms the baseline for missing momentum regression with approximately 35 times fewer parameters. These results demonstrate that the latent representations learned during reconstruction encode essential physics information needed for downstream analysis, establishing MLPF as a foundation model and offering a concrete step toward an end-to-end pipeline from detector data to physics analysis.

BRICKS: Compositional Neural Markov Kernels for Zero-Shot Radiation-Matter Simulation

We introduce a new strategy for compositional neural surrogates for radiation-matter interactions, a key task spanning domains from particle physics through nuclear and space engineering to medical physics. Exploiting the locality and the Markov nature of particle interactions, we create a \emph{next-particle prediction} kernel using hybrid discrete-continuous transformer models based on Riemannian Flow Matching on product manifolds. The model generates variable-sized typed sets of particles and radiation side effects that are the result of the interaction of an incident particle with a material volume. The resulting kernel can be composed to simulate unseen large-scale material distributions in a zero-shot manner. Unlike mechanistic simulators, our model is designed to be differentiable, provides tractable likelihoods for future downstream applications. A significant computational speed-up on GPU compared to CPU-bound mechanistic simulation is observed for single-kernel execution. We evaluate the model at the kernel level and demonstrate predictive stability over multi-round autoregressive rollouts. We additionally release a novel 20M-event radiation-matter interaction dataset for further research.

Taming the Exponential: A Fast Softmax Surrogate for Integer-Native Edge Inference

Softmax can become a computational bottleneck in the Transformer model's Multi-Head Attention (MHA) block, particularly in small models under low-precision inference, where exponentiation and normalization incur significant overhead. As such, we suggest using Head-Calibrated Clipped-Linear Softmax (HCCS), a bounded, monotone surrogate to the exponential softmax function, which uses a clipped linear mapping of the max centered attention logits. This approximation produces a stable probability distribution, maintains the ordering of the original logits and has non-negative values. HCCS differs from previous softmax surrogates as it includes a set of lightweight calibration parameters that are optimized offline based on a representative dataset and calibrated for each individual attention head to preserve the statistical properties of the individual heads. We describe a hardware-motivated implementation of HCCS for high-throughput scenarios targeting the AMD Versal AI Engines. The current reference implementations from AMD for this platform rely upon either bfloat16 arithmetic or LUTs to perform the exponential operation, which might limit the throughput of the platform and fail to utilize the high-throughput integer vector processing units of the AI Engine. In contrast, HCCS provides a natural mapping to the AI Engines' int8 multiply accumulate (MAC) units. To the best of our knowledge, this is the first int8 optimized softmax surrogate for AMD AI engines that significantly exceeds the speed performance of other reference implementations while maintaining competitive task accuracy on small or heavily quantized MHA workloads after quantization-aware retraining.

PQuantML: A Tool for End-to-End Hardware-aware Model Compression

PQuantML is a new open-source, hardware-aware neural network model compression library tailored to end-to-end workflows. Motivated by the need to deploy performant models to environments with strict latency constraints, PQuantML simplifies training of compressed models by providing a unified interface to apply pruning and quantization, either jointly or individually. The library implements multiple pruning methods with different granularities, as well as fixed-point quantization with support for High-Granularity Quantization. We evaluate PQuantML on representative tasks such as the jet substructure classification, so-called jet tagging, an on-edge problem related to real-time LHC data processing. Using various pruning methods with fixed-point quantization, PQuantML achieves substantial parameter and bit-width reductions while maintaining accuracy. The resulting compression is further compared against existing tools, such as QKeras and HGQ.

Neural Scaling Laws for Boosted Jet Tagging

The success of Large Language Models (LLMs) has established that scaling compute, through joint increases in model capacity and dataset size, is the primary driver of performance in modern machine learning. While machine learning has long been an integral component of High Energy Physics (HEP) data analysis workflows, the compute used to train state-of-the-art HEP models remains orders of magnitude below that of industry foundation models. With scaling laws only beginning to be studied in the field, we investigate neural scaling laws for boosted jet classification using the public JetClass dataset. We derive compute optimal scaling laws and identify an effective performance limit that can be consistently approached through increased compute. We study how data repetition, common in HEP where simulation is expensive, modifies the scaling yielding a quantifiable effective dataset size gain. We then study how the scaling coefficients and asymptotic performance limits vary with the choice of input features and particle multiplicity, demonstrating that increased compute reliably drives performance toward an asymptotic limit, and that more expressive, lower-level features can raise the performance limit and improve results at fixed dataset size.

Supercharging Simulation-Based Inference for Bayesian Optimal Experimental Design

Bayesian optimal experimental design (BOED) seeks to maximize the expected information gain (EIG) of experiments. This requires a likelihood estimate, which in many settings is intractable. Simulation-based inference (SBI) provides powerful tools for this regime. However, existing work explicitly connecting SBI and BOED is restricted to a single contrastive EIG bound. We show that the EIG admits multiple formulations which can directly leverage modern SBI density estimators, encompassing neural posterior, likelihood, and ratio estimation. Building on this perspective, we define a novel EIG estimator using neural likelihood estimation. Further, we identify optimization as a key bottleneck of gradient based EIG maximization and show that a simple multi-start parallel gradient ascent procedure can substantially improve reliability and performance. With these innovations, our SBI-based BOED methods are able to match or outperform by up to $22\%$ existing state-of-the-art approaches across standard BOED benchmarks.

AIE4ML: An End-to-End Framework for Compiling Neural Networks for the Next Generation of AMD AI Engines

Efficient AI inference on AMD's Versal AI Engine (AIE) is challenging due to tightly coupled VLIW execution, explicit datapaths, and local memory management. Prior work focused on first-generation AIE kernel optimizations, without tackling full neural network execution across the 2D array. In this work, we present AIE4ML, the first comprehensive framework for converting AI models automatically into optimized firmware targeting the AIE-ML generation devices, also with forward compatibility for the newer AIE-MLv2 architecture. At the single-kernel level, we attain performance close to the architectural peak. At the graph and system levels, we provide a structured parallelization method that can scale across the 2D AIE-ML fabric and exploit its dedicated memory tiles to stay entirely on-chip throughout the model execution. As a demonstration, we designed a generalized and highly efficient linear-layer implementation with intrinsic support for fused bias addition and ReLU activation. Also, as our framework necessitates the generation of multi-layer implementations, our approach systematically derives deterministic, compact, and topology-optimized placements tailored to the physical 2D grid of the device through a novel graph placement and search algorithm. Finally, the framework seamlessly accepts quantized models imported from high-level tools such as hls4ml or PyTorch while preserving bit-exactness. In layer scaling benchmarks, we achieve up to 98.6% efficiency relative to the single-kernel baseline, utilizing 296 of 304 AIE tiles (97.4%) of the device with entirely on-chip data movement. With evaluations across real-world model topologies, we demonstrate that AIE4ML delivers GPU-class throughput under microsecond latency constraints, making it a practical companion for ultra-low-latency environments such as trigger systems in particle physics experiments.

Re-Simulation-based Self-Supervised Learning for Pre-Training Foundation Models

Self-Supervised Learning (SSL) is at the core of training modern large machine learning models, providing a scheme for learning powerful representations that can be used in a variety of downstream tasks. However, SSL strategies must be adapted to the type of training data and downstream tasks required. We propose RS3L, a novel simulation-based SSL strategy that employs a method of re-simulation to drive data augmentation for contrastive learning. By intervening in the middle of the simulation process and re-running simulation components downstream of the intervention, we generate multiple realizations of an event, thus producing a set of augmentations covering all physics-driven variations available in the simulator. Using experiments from high-energy physics, we explore how this strategy may enable the development of a foundation model; we show how R3SL pre-training enables powerful performance in downstream tasks such as discrimination of a variety of objects and uncertainty mitigation. In addition to our results, we make the RS3L dataset publicly available for further studies on how to improve SSL strategies.

Masked Particle Modeling on Sets: Towards Self-Supervised High Energy Physics Foundation Models

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a novel scheme to perform masked modeling based pre-training to learn permutation invariant functions on sets. More generally, this work provides a step towards building large foundation models for HEP that can be generically pre-trained with self-supervised learning and later fine-tuned for a variety of down-stream tasks. In MPM, particles in a set are masked and the training objective is to recover their identity, as defined by a discretized token representation of a pre-trained vector quantized variational autoencoder. We study the efficacy of the method in samples of high energy jets at collider physics experiments, including studies on the impact of discretization, permutation invariance, and ordering. We also study the fine-tuning capability of the model, showing that it can be adapted to tasks such as supervised and weakly supervised jet classification, and that the model can transfer efficiently with small fine-tuning data sets to new classes and new data domains.

Differentiable Vertex Fitting for Jet Flavour Tagging

We propose a differentiable vertex fitting algorithm that can be used for secondary vertex fitting, and that can be seamlessly integrated into neural networks for jet flavour tagging. Vertex fitting is formulated as an optimization problem where gradients of the optimized solution vertex are defined through implicit differentiation and can be passed to upstream or downstream neural network components for network training. More broadly, this is an application of differentiable programming to integrate physics knowledge into neural network models in high energy physics. We demonstrate how differentiable secondary vertex fitting can be integrated into larger transformer-based models for flavour tagging and improve heavy flavour jet classification.