Crucial to many measurements at the LHC is the use of correlated multi-dimensional information to distinguish rare processes from large backgrounds, which is complicated by the poor modeling of many of the crucial backgrounds in Monte Carlo simulations. In this work, we introduce HI-SIGMA, a method to perform unbinned high-dimensional statistical inference with data-driven background distributions. In contradistinction to many applications of Simulation Based Inference in High Energy Physics, HI-SIGMA relies on generative ML models, rather than classifiers, to learn the signal and background distributions in the high-dimensional space. These ML models allow for efficient, interpretable inference while also incorporating model errors and other sources of systematic uncertainties. We showcase this methodology on a simplified version of a di-Higgs measurement in the $bbγγ$ final state, where the di-photon resonance allows for efficient background interpolation from sidebands into the signal region. We demonstrate that HI-SIGMA provides improved sensitivity as compared to standard classifier-based methods, and that systematic uncertainties can be straightforwardly incorporated by extending methods which have been used for histogram based analyses.

Quantifying uncertainties for machine learning (ML) models is a foundational challenge in modern data analysis. This challenge is compounded by at least two key aspects of the field: (a) inconsistent terminology surrounding uncertainty and estimation across disciplines, and (b) the varying technical requirements for establishing trustworthy uncertainties in diverse problem contexts. In this position paper, we aim to clarify the depth of these challenges by identifying these inconsistencies and articulating how different contexts impose distinct epistemic demands. We examine the current landscape of estimation targets (e.g., prediction, inference, simulation-based inference), uncertainty constructs (e.g., frequentist, Bayesian, fiducial), and the approaches used to map between them. Drawing on the literature, we highlight and explain examples of problematic mappings. To help address these issues, we advocate for standards that promote alignment between the \textit{intent} and \textit{implementation} of uncertainty quantification (UQ) approaches. We discuss several axes of trustworthiness that are necessary (if not sufficient) for reliable UQ in ML models, and show how these axes can inform the design and evaluation of uncertainty-aware ML systems. Our practical recommendations focus on scientific ML, offering illustrative cases and use scenarios, particularly in the context of simulation-based inference (SBI).

Precise cell classification is essential in biomedical diagnostics and therapeutic monitoring, particularly for identifying diverse cell types involved in various diseases. Traditional cell classification methods such as flow cytometry depend on molecular labeling which is often costly, time-intensive, and can alter cell integrity. To overcome these limitations, we present a label-free machine learning framework for cell classification, designed for real-time sorting applications using bright-field microscopy images. This approach leverages a teacher-student model architecture enhanced by knowledge distillation, achieving high efficiency and scalability across different cell types. Demonstrated through a use case of classifying lymphocyte subsets, our framework accurately classifies T4, T8, and B cell types with a dataset of 80,000 preprocessed images, accessible via an open-source Python package for easy adaptation. Our teacher model attained 98\% accuracy in differentiating T4 cells from B cells and 93\% accuracy in zero-shot classification between T8 and B cells. Remarkably, our student model operates with only 0.02\% of the teacher model's parameters, enabling field-programmable gate array (FPGA) deployment. Our FPGA-accelerated student model achieves an ultra-low inference latency of just 14.5~$\mu$s and a complete cell detection-to-sorting trigger time of 24.7~$\mu$s, delivering 12x and 40x improvements over the previous state-of-the-art real-time cell analysis algorithm in inference and total latency, respectively, while preserving accuracy comparable to the teacher model. This framework provides a scalable, cost-effective solution for lymphocyte classification, as well as a new SOTA real-time cell sorting implementation for rapid identification of subsets using in situ deep learning on off-the-shelf computing hardware.

We explore the innovative use of MLP-Mixer models for real-time jet tagging and establish their feasibility on resource-constrained hardware like FPGAs. MLP-Mixers excel in processing sequences of jet constituents, achieving state-of-the-art performance on datasets mimicking Large Hadron Collider conditions. By using advanced optimization techniques such as High-Granularity Quantization and Distributed Arithmetic, we achieve unprecedented efficiency. These models match or surpass the accuracy of previous architectures, reduce hardware resource usage by up to 97%, double the throughput, and half the latency. Additionally, non-permutation-invariant architectures enable smart feature prioritization and efficient FPGA deployment, setting a new benchmark for machine learning in real-time data processing at particle colliders.

In this paper, we propose a method to perform empirical analysis of the loss landscape of machine learning (ML) models. The method is applied to two ML models for scientific sensing, which necessitates quantization to be deployed and are subject to noise and perturbations due to experimental conditions. Our method allows assessing the robustness of ML models to such effects as a function of quantization precision and under different regularization techniques -- two crucial concerns that remained underexplored so far. By investigating the interplay between performance, efficiency, and robustness by means of loss landscape analysis, we both established a strong correlation between gently-shaped landscapes and robustness to input and weight perturbations and observed other intriguing and non-obvious phenomena. Our method allows a systematic exploration of such trade-offs a priori, i.e., without training and testing multiple models, leading to more efficient development workflows. This work also highlights the importance of incorporating robustness into the Pareto optimization of ML models, enabling more reliable and adaptive scientific sensing systems.

We present an end-to-end workflow for superconducting qubit readout that embeds co-designed Neural Networks (NNs) into the Quantum Instrumentation Control Kit (QICK). Capitalizing on the custom firmware and software of the QICK platform, which is built on Xilinx RFSoC FPGAs, we aim to leverage machine learning (ML) to address critical challenges in qubit readout accuracy and scalability. The workflow utilizes the hls4ml package and employs quantization-aware training to translate ML models into hardware-efficient FPGA implementations via user-friendly Python APIs. We experimentally demonstrate the design, optimization, and integration of an ML algorithm for single transmon qubit readout, achieving 96% single-shot fidelity with a latency of 32ns and less than 16% FPGA look-up table resource utilization. Our results offer the community an accessible workflow to advance ML-driven readout and adaptive control in quantum information processing applications.

Modern neural networks (NNs) often do not generalize well in the presence of a "covariate shift"; that is, in situations where the training and test data distributions differ, but the conditional distribution of classification labels remains unchanged. In such cases, NN generalization can be reduced to a problem of learning more domain-invariant features. Domain adaptation (DA) methods include a range of techniques aimed at achieving this; however, these methods have struggled with the need for extensive hyperparameter tuning, which then incurs significant computational costs. In this work, we introduce SIDDA, an out-of-the-box DA training algorithm built upon the Sinkhorn divergence, that can achieve effective domain alignment with minimal hyperparameter tuning and computational overhead. We demonstrate the efficacy of our method on multiple simulated and real datasets of varying complexity, including simple shapes, handwritten digits, and real astronomical observations. SIDDA is compatible with a variety of NN architectures, and it works particularly well in improving classification accuracy and model calibration when paired with equivariant neural networks (ENNs). We find that SIDDA enhances the generalization capabilities of NNs, achieving up to a $\approx40\%$ improvement in classification accuracy on unlabeled target data. We also study the efficacy of DA on ENNs with respect to the varying group orders of the dihedral group $D_N$, and find that the model performance improves as the degree of equivariance increases. Finally, we find that SIDDA enhances model calibration on both source and target data--achieving over an order of magnitude improvement in the ECE and Brier score. SIDDA's versatility, combined with its automated approach to domain alignment, has the potential to advance multi-dataset studies by enabling the development of highly generalizable models.

Adaptive physics-informed super-resolution diffusion is developed for non-invasive virtual diagnostics of the 6D phase space density of charged particle beams. An adaptive variational autoencoder (VAE) embeds initial beam condition images and scalar measurements to a low-dimensional latent space from which a 326 pixel 6D tensor representation of the beam's 6D phase space density is generated. Projecting from a 6D tensor generates physically consistent 2D projections. Physics-guided super-resolution diffusion transforms low-resolution images of the 6D density to high resolution 256x256 pixel images. Un-supervised adaptive latent space tuning enables tracking of time-varying beams without knowledge of time-varying initial conditions. The method is demonstrated with experimental data and multi-particle simulations at the HiRES UED. The general approach is applicable to a wide range of complex dynamic systems evolving in high-dimensional phase space. The method is shown to be robust to distribution shift without re-training.

Neutrino-nucleus scattering cross sections are critical theoretical inputs for long-baseline neutrino oscillation experiments. However, robust modeling of these cross sections remains challenging. For a simple but physically motivated toy model of the DUNE experiment, we demonstrate that an accurate neural-network model of the cross section -- leveraging Standard Model symmetries -- can be learned from near-detector data. We then perform a neutrino oscillation analysis with simulated far-detector events, finding that the modeled cross section achieves results consistent with what could be obtained if the true cross section were known exactly. This proof-of-principle study highlights the potential of future neutrino near-detector datasets and data-driven cross-section models.

Extracting anomaly causality facilitates diagnostics once monitoring systems detect system faults. Identifying anomaly causes in large systems involves investigating a more extensive set of monitoring variables across multiple subsystems. However, learning causal graphs comes with a significant computational burden that restrains the applicability of most existing methods in real-time and large-scale deployments. In addition, modern monitoring applications for large systems often generate large amounts of binary alarm flags, and the distinct characteristics of binary anomaly data -- the meaning of state transition and data sparsity -- challenge existing causality learning mechanisms. This study proposes an anomaly causal discovery approach (AnomalyCD), addressing the accuracy and computational challenges of generating causal graphs from binary flag data sets. The AnomalyCD framework presents several strategies, such as anomaly flag characteristics incorporating causality testing, sparse data and link compression, and edge pruning adjustment approaches. We validate the performance of this framework on two datasets: monitoring sensor data of the readout-box system of the Compact Muon Solenoid experiment at CERN, and a public data set for information technology monitoring. The results demonstrate the considerable reduction of the computation overhead and moderate enhancement of the accuracy of temporal causal discovery on binary anomaly data sets.