In high dimensions, reflective Hamiltonian Monte Carlo with inexact reflections exhibits slow mixing when the particle ensemble is initialised from a Dirac delta distribution and the uniform distribution is targeted. By quantifying the instantaneous non-uniformity of the distribution with the Sinkhorn divergence, we elucidate the principal mechanisms underlying the mixing problems. In spheres and cubes, we show that the collective motion transitions between fluid-like and discretisation-dominated behaviour, with the critical step size scaling as a power law in the dimension. In both regimes, the particles can spontaneously unmix, leading to resonances in the particle density and the aforementioned problems. Additionally, low-dimensional toy models of the dynamics are constructed which reproduce the dominant features of the high-dimensional problem. Finally, the dynamics is contrasted with the exact Hamiltonian particle flow and tuning practices are discussed.

Across many domains of science, stochastic models are an essential tool to understand the mechanisms underlying empirically observed data. Models can be of different levels of detail and accuracy, with models of high-fidelity (i.e., high accuracy) to the phenomena under study being often preferable. However, inferring parameters of high-fidelity models via simulation-based inference is challenging, especially when the simulator is computationally expensive. We introduce a multifidelity approach to neural posterior estimation that uses transfer learning to leverage inexpensive low-fidelity simulations to efficiently infer parameters of high-fidelity simulators. Our method applies the multifidelity scheme to both amortized and non-amortized neural posterior estimation. We further improve simulation efficiency by introducing a sequential variant that uses an acquisition function targeting the predictive uncertainty of the density estimator to adaptively select high-fidelity parameters. On established benchmark and neuroscience tasks, our approaches require up to two orders of magnitude fewer high-fidelity simulations than current methods, while showing comparable performance. Overall, our approaches open new opportunities to perform efficient Bayesian inference on computationally expensive simulators.

Chest X-ray (CXR) images are among the most commonly used diagnostic imaging modalities in clinical practice. Stringent privacy constraints often limit the public dissemination of patient CXR images, contributing to the increasing use of synthetic images produced by deep generative models for data sharing and training machine learning models. Given the high-stakes downstream applications of CXR images, it is crucial to evaluate how faithfully synthetic images reflect the underlying target distribution. We propose the embedded characteristic score (ECS), a flexible evaluation procedure that compares synthetic and patient CXR samples through characteristic function transforms of feature embeddings. The choice of embedding can be tailored to the clinical or scientific context of interest. By leveraging the behavior of characteristic functions near the origin, ECS is sensitive to differences in higher moments and distribution tails, aspects that are often overlooked by commonly used evaluation metrics such as the Fréchet Inception Distance (FID). We establish theoretical properties of ECS and describe a calibration strategy based on a simple resampling procedure. We compare the empirical performance of ECS against FID via simulations and standard benchmark imaging datasets. Assessing synthetic CXR images with ECS uncovers clinically relevant distributional discrepancies relative to patient CXR images. These results highlight the importance of reliable evaluation of synthetic data that inform high-stakes decisions.

We introduce efficient plug-in (EP) learning, a novel framework for the estimation of heterogeneous causal contrasts, such as the conditional average treatment effect and conditional relative risk. The EP-learning framework enjoys the same oracle efficiency as Neyman-orthogonal learning strategies, such as DR-learning and R-learning, while addressing some of their primary drawbacks: (i) their practical applicability can be hindered by non-convex loss functions; and (ii) they may suffer from poor performance and instability due to inverse probability weighting and pseudo-outcomes that violate bounds. To overcome these issues, the EP-learner leverages an efficient plug-in estimator of the population risk function for the causal contrast. In doing so, it inherits the stability of plug-in strategies such as T-learning, while improving on their efficiency. Under reasonable conditions, EP-learners based on empirical risk minimization are oracle-efficient, exhibiting asymptotic equivalence to the minimizer of an oracle-efficient one-step debiased estimator of the population risk function. In simulation experiments, we show that EP-learners of the conditional average treatment effect and conditional relative risk outperform state-of-the-art competitors, including the T-learner, R-learner, and DR-learner. Open-source implementations of the proposed methods are available in our \texttt{R} package \texttt{hte3}.

In the era of fast-paced precision medicine, observational studies play a major role in properly evaluating new treatments in clinical practice. Yet, unobserved confounding can significantly compromise causal conclusions drawn from non-randomized data. We propose a novel strategy that leverages randomized trials to quantify unobserved confounding. First, we design a statistical test to detect unobserved confounding with strength above a given threshold. Then, we use the test to estimate an asymptotically valid lower bound on the unobserved confounding strength. We evaluate the power and validity of our statistical test on several synthetic and semi-synthetic datasets. Further, we show how our lower bound can correctly identify the absence and presence of unobserved confounding in a real-world setting.

In order to identify expertise, forecasters should not be tested by their calibration score, which can always be made arbitrarily small, but rather by their Brier score. The Brier score is the sum of the calibration score and the refinement score; the latter measures how good the sorting into bins with the same forecast is, and thus attests to "expertise." This raises the question of whether one can gain calibration without losing expertise, which we refer to as "calibeating." We provide an easy way to calibeat any forecast, by a deterministic online procedure. We moreover show that calibeating can be achieved by a stochastic procedure that is itself calibrated, and then extend the results to simultaneously calibeating multiple procedures, and to deterministic procedures that are continuously calibrated.

This work proposes a novel 2-D formation control scheme for acyclic triangulated directed graphs (a class of minimally acyclic persistent graphs) based on bipolar coordinates with (almost) global convergence to the desired shape. Prescribed performance control is employed to devise a decentralized control law that avoids singularities and introduces robustness against external disturbances while ensuring predefined transient and steady-state performance for the closed-loop system. Furthermore, it is shown that the proposed formation control scheme can handle formation maneuvering, scaling, and orientation specifications simultaneously. Additionally, the proposed control law is implementable in agents' arbitrarily oriented local coordinate frames using only low-cost onboard vision sensors, which are favorable for practical applications. Finally, a formation maneuvering simulation study verifies the proposed approach.

With the advent of system-in-package (SiP) chiplet-based design and heterogeneous 2.5D/3D integration, thermal-induced warpage has become a critical reliability concern. While conventional numerical approaches can deliver highly accurate results, they often incur prohib- itively high computational costs, limiting their scalability for complex chiplet-package systems. In this paper, we present WarPGNN, an ef- ficient and accurate parametric thermal warpage analysis framework powered by Graph Neural Networks (GNNs). By operating directly on graphs constructed from the floorplans, WarPGNN enables fast warpage-aware floorplan exploration and exhibits strong transfer- ability across diverse package configurations. Our method first en- codes multi-die floorplans into reduced Transitive Closure Graphs (rTCGs), then a Graph Convolution Network (GCN)-based encoder extracts hierarchical structural features, followed by a U-Net inspired decoder that reconstructs warpage maps from graph feature embed- dings. Furthermore, to address the long-tailed pattern of warpage data distribution, we developed a physics-informed loss and revised a message-passing encoder based on Graph Isomorphic Network (GIN) that further enhance learning performance for extreme cases and expressiveness of graph embeddings. Numerical results show that WarPGNN achieves more than 205.91x speedup compared with the 2-D efficient FEM-based method and over 119766.64x acceleration with 3-D FEM method COMSOL, respectively, while maintaining comparable accuracy at only 1.26% full-scale normalized RMSE and 2.21% warpage value error. Compared with recent DeepONet-based model, our method achieved comparable prediction accuracy and in- ference speedup with 3.4x lower training time. In addition, WarPGNN demonstrates remarkable transferability on unseen datasets with up to 3.69% normalized RMSE and similar runtime.

Deep unrolled models (DUMs) have become the state of the art for accelerated MRI reconstruction, yet their robustness under domain shift remains a critical barrier to clinical adoption. In this work, we identify coil sensitivity map (CSM) estimation as the primary bottleneck limiting generalization. To address this, we propose UEPS, a novel DUM architecture featuring three key innovations: (i) an Unrolled Expanded (UE) design that eliminates CSM dependency by reconstructing each coil independently; (ii) progressive resolution, which leverages k-space-to-image mapping for efficient coarse-to-fine refinement; and (iii) sparse attention tailored to MRI's 1D undersampling nature. These physics-grounded designs enable simultaneous gains in robustness and computational efficiency. We construct a large-scale zero-shot transfer benchmark comprising 10 out-of-distribution test sets spanning diverse clinical shifts -- anatomy, view, contrast, vendor, field strength, and coil configurations. Extensive experiments demonstrate that UEPS consistently and substantially outperforms existing DUM, end-to-end, diffusion, and untrained methods across all OOD tests, achieving state-of-the-art robustness with low-latency inference suitable for real-time deployment.

Quantum Generative Adversarial Networks (QGANs) offer a promising path for learning data distributions on near-term quantum devices. However, existing QGANs for image synthesis avoid direct full-image generation, relying on classical post-processing or patch-based methods. These approaches dilute the quantum generator's role and struggle to capture global image semantics. To address this, we propose ReQGAN, an end-to-end framework that synthesizes an entire N=2^D-pixel image using a single D-qubit quantum circuit. ReQGAN overcomes two fundamental bottlenecks hindering direct pixel generation: (1) the rigid classical-to-quantum noise interface and (2) the output mismatch between normalized quantum statistics and the desired pixel-intensity space. We introduce a learnable Neural Noise Encoder for adaptive state preparation and a differentiable Intensity Calibration module to map measurements to a stable, visually meaningful pixel domain. Experiments on MNIST and Fashion-MNIST demonstrate that ReQGAN achieves stable training and effective image synthesis under stringent qubit budgets, with ablation studies verifying the contribution of each component.

Accurate segmentation of tissues and instruments in surgical scenes is annotation-intensive due to irregular shapes, thin structures, specularities, and frequent occlusions. While SAM models support point, box, and mask prompts, points are often too sparse and boxes too coarse to localize such challenging targets. We present SCISSR, a scribble-promptable framework for interactive surgical scene segmentation. It introduces a lightweight Scribble Encoder that converts freehand scribbles into dense prompt embeddings compatible with the mask decoder, enabling iterative refinement for a target object by drawing corrective strokes on error regions. Because all added modules (the Scribble Encoder, Spatial Gated Fusion, and LoRA adapters) interact with the backbone only through its standard embedding interfaces, the framework is not tied to a single model: we build on SAM 2 in this work, yet the same components transfer to other prompt-driven segmentation architectures such as SAM 3 without structural modification. To preserve pre-trained capabilities, we train only these lightweight additions while keeping the remaining backbone frozen. Experiments on EndoVis 2018 demonstrate strong in-domain performance, while evaluation on the out-of-distribution CholecSeg8k further confirms robustness across surgical domains. SCISSR achieves 95.41% Dice on EndoVis 2018 with five interaction rounds and 96.30% Dice on CholecSeg8k with three interaction rounds, outperforming iterative point prompting on both benchmarks.

Sending massive Earth observation data produced by low Earth orbit (LEO) satellites back to the ground for processing consumes a large amount of on-orbit bandwidth and exacerbates the space-to-ground link bottleneck. Most prior work has concentrated on optimizing the routing of raw data within the constellation, yet cannot cope with the surge in data volume. Recently, advances in onboard computing have made it possible to process data in situ, thus significantly reducing the data volume to be transmitted. In this paper, we present iSatCR, a distributed graph-based approach that jointly optimizes onboard computing and routing to boost transmission efficiency. Within iSatCR, we design a novel graph embedding utilizing shifted feature aggregation and distributed message passing to capture satellite states, and then propose a distributed graph-based deep reinforcement learning algorithm that derives joint computing-routing strategies under constrained on-board storage to handle the complexity and dynamics of LEO networks. Extensive experiments show iSatCR outperforms baselines, particularly under high load.

Efficient coordination for collective spatial distribution is a fundamental challenge in multi-agent systems. Prior research on Density-Driven Optimal Control (D2OC) established a framework to match agent trajectories to a desired spatial distribution. However, implementing this as a predictive controller requires solving a large-scale Karush-Kuhn-Tucker (KKT) system, whose computational complexity grows cubically with the prediction horizon. To resolve this, we propose an analytical structural reduction that transforms the T-horizon KKT system into a condensed quadratic program (QP). This formulation achieves O(T) linear scalability, significantly reducing the online computational burden compared to conventional O(T^3) approaches. Furthermore, to ensure rigorous convergence in dynamic environments, we incorporate a contractive Lyapunov constraint and prove the Input-to-State Stability (ISS) of the closed-loop system against reference propagation drift. Numerical simulations verify that the proposed method facilitates rapid density coverage with substantial computational speed-up, enabling long-horizon predictive control for large-scale multi-agent swarms.

In the present paper we study the performance of linear denoisers for noisy data of the form $\mathbf{x} + \mathbf{z}$, where $\mathbf{x} \in \mathbb{R}^d$ is the desired data with zero mean and unknown covariance $\mathbfΣ$, and $\mathbf{z} \sim \mathcal{N}(0, \mathbfΣ_{\mathbf{z}})$ is additive noise. Since the covariance $\mathbfΣ$ is not known, the standard Wiener filter cannot be employed for denoising. Instead we assume we are given samples $\mathbf{x}_1,\dots,\mathbf{x}_n \in \mathbb{R}^d$ from the true distribution. A standard approach would then be to estimate $\mathbfΣ$ from the samples and use it to construct an ``empirical" Wiener filter. However, in this paper, motivated by the denoising step in diffusion models, we take a different approach whereby we train a linear denoiser $\mathbf{W}$ from the data itself. In particular, we synthetically construct noisy samples $\hat{\mathbf{x}}_i$ of the data by injecting the samples with Gaussian noise with covariance $\mathbfΣ_1 \neq \mathbfΣ_{\mathbf{z}}$ and find the best $\mathbf{W}$ that approximates $\mathbf{W}\hat{\mathbf{x}}_i \approx \mathbf{x}_i$ in a least-squares sense. In the proportional regime $\frac{n}{d} \rightarrow κ> 1$ we use the {\it Convex Gaussian Min-Max Theorem (CGMT)} to analytically find the closed form expression for the generalization error of the denoiser obtained from this process. Using this expression one can optimize over $\mathbfΣ_1$ to find the best possible denoiser. Our numerical simulations show that our denoiser outperforms the ``empirical" Wiener filter in many scenarios and approaches the optimal Wiener filter as $κ\rightarrow\infty$.

Medication recommendations aim to generate safe and effective medication sets from health records. However, accurately recommending medications hinges on inferring a patient's latent clinical condition from sparse and noisy observations, which requires both (i) preserving the visit-level combinatorial semantics of co-occurring entities and (ii) leveraging informative historical references through effective, visit-conditioned retrieval. Most existing methods fall short in one of both aspects: graph-based modeling often fragments higher-order intra-visit patterns into pairwise relations, while inter-visit augmentation methods commonly exhibit an imbalance between learning a globally stable representation space and performing dynamic retrieval within it. To address these limitations, this paper proposes HypeMed, a two-stage hypergraph-based framework unifying intra-visit coherence modeling and inter-visit augmentation. HypeMed consists of two core modules: MedRep for representation pre-training, and SimMR for similarity-enhanced recommendation. In the first stage, MedRep encodes clinical visits as hyperedges via knowledge-aware contrastive pre-training, creating a globally consistent, retrieval-friendly embedding space. In the second stage, SimMR performs dynamic retrieval within this space, fusing retrieved references with the patient's longitudinal data to refine medication prediction. Evaluation on real-world benchmarks shows that HypeMed outperforms state-of-the-art baselines in both recommendation precision and DDI reduction, simultaneously enhancing the effectiveness and safety of clinical decision support.

During research, domain experts often ask analytical questions whose answers require integrating data from a wide range of web sources. Thus, they must spend substantial effort searching, extracting, and organizing raw data before analysis can begin. We formalize this process as the SODIUM task, where we conceptualize open domains such as the web as latent databases that must be systematically instantiated to support downstream querying. Solving SODIUM requires (1) conducting in-depth and specialized exploration of the open web, which is further strengthened by (2) exploiting structural correlations for systematic information extraction and (3) integrating collected information into coherent, queryable database instances. To quantify the challenges in automating SODIUM, we construct SODIUM-Bench, a benchmark of 105 tasks derived from published academic papers across 6 domains, where systems are tasked with exploring the open web to collect and aggregate data from diverse sources into structured tables. Existing systems struggle with SODIUM tasks: we evaluate 6 advanced AI agents on SODIUM-Bench, with the strongest baseline achieving only 46.5% accuracy. To bridge this gap, we develop SODIUM-Agent, a multi-agent system composed of a web explorer and a cache manager. Powered by our proposed ATP-BFS algorithm and optimized through principled management of cached sources and navigation paths, SODIUM-Agent conducts deep and comprehensive web exploration and performs structurally coherent information extraction. SODIUM-Agent achieves 91.1% accuracy on SODIUM-Bench, outperforming the strongest baseline by approximately 2 times and the weakest by up to 73 times.

The distance from calibration, introduced by Błasiok, Gopalan, Hu, and Nakkiran (STOC 2023), has recently emerged as a central measure of miscalibration for probabilistic predictors. We study the fundamental problems of computing and estimating this quantity, given either an exact description of the data distribution or only sample access to it. We give an efficient algorithm that exactly computes the calibration distance when the distribution has a uniform marginal and noiseless labels, which improves the $O(1/\sqrt{|\mathcal{X}|})$ additive approximation of Qiao and Zheng (COLT 2024) for this special case. Perhaps surprisingly, the problem becomes $\mathsf{NP}$-hard when either of the two assumptions is removed. We extend our algorithm to a polynomial-time approximation scheme for the general case. For the estimation problem, we show that $Θ(1/ε^3)$ samples are sufficient and necessary for the empirical calibration distance to be upper bounded by the true distance plus $ε$. In contrast, a polynomial dependence on the domain size -- incurred by the learning-based baseline -- is unavoidable for two-sided estimation. Our positive results are based on simple sparsifications of both the distribution and the target predictor, which significantly reduce the search space for computation and lead to stronger concentration for the estimation problem. To prove the hardness results, we introduce new techniques for certifying lower bounds on the calibration distance -- a problem that is hard in general due to its $\textsf{co-NP}$-completeness.

As Large Language Models (LLMs) increasingly assist secure software development, their ability to meet the rigorous demands of Rust program verification remains unclear. Existing evaluations treat Rust verification as a black box, assessing models only by binary pass or fail outcomes for proof hints. This obscures whether models truly understand the logical deductions required for verifying nontrivial Rust code. To bridge this gap, we introduce VCoT-Lift, a framework that lifts low-level solver reasoning into high-level, human-readable verification steps. By exposing solver-level reasoning as an explicit Verification Chain-of-Thought, VCoT-Lift provides a concrete ground truth for fine-grained evaluation. Leveraging VCoT-Lift, we introduce VCoT-Bench, a comprehensive benchmark of 1,988 VCoT completion tasks for rigorously evaluating LLMs' understanding of the entire verification process. VCoT-Bench measures performance along three orthogonal dimensions: robustness to varying degrees of missing proofs, competence across different proof types, and sensitivity to the proof locations. Evaluation of ten state-of-the-art models reveals severe fragility, indicating that current LLMs fall well short of the reasoning capabilities exhibited by automated theorem provers.

Large language models (LLMs) based AI systems increasingly mediate what billions of people see, choose and buy. This creates an urgent need to quantify the systemic risks of LLM-driven market intermediation, including its implications for market fairness, competition, and the diversity of information exposure. This paper introduces ChoiceEval, a reproducible framework for auditing preferences for brands and cultures in large language models (LLMs) under realistic usage conditions. ChoiceEval addresses two core technical challenges: (i) generating realistic, persona-diverse evaluation queries and (ii) converting free-form outputs into comparable choice sets and quantitative preference metrics. For a given topic (e.g. running shoes, hotel chains, travel destinations), the framework segments users into psychographic profiles (e.g., budget-conscious, wellness-focused, convenience), and then derives diverse prompts that reflect real-world advice-seeking and decision-making behaviour. LLM responses are converted into normalised top-k choice sets. Preference and geographic bias are then quantified using comparable metrics across topics and personas. Thus, ChoiceEval provides a scalable audit pipeline for researchers, platforms, and regulators, linking model behaviour to real-world economic outcomes. Applied to Gemini, GPT, and DeepSeek across 10 topics spanning commerce and culture and more than 2,000 questions, ChoiceEval reveals consistent preferences: U.S.-developed models Gemini and GPT show marked favouritism toward American entities, while China-developed DeepSeek exhibits more balanced yet still detectable geographic preferences. These patterns persist across user personas, suggesting systematic rather than incidental effects.

Bayesian methods lie at the heart of modern data science and provide a powerful scaffolding for estimation in data-constrained settings and principled quantification and propagation of uncertainty. Yet in many real-world use cases where these methods are deployed, there is a natural need to preserve the privacy of the individuals whose data is being scrutinized. While a number of works have attempted to approach the problem of differentially private Bayesian estimation through either reasoning about the inherent privacy of the posterior distribution or privatizing off-the-shelf Bayesian methods, these works generally do not come with rigorous utility guarantees beyond low-dimensional settings. In fact, even for the prototypical tasks of Gaussian mean estimation and linear regression, it was unknown how close one could get to the Bayes-optimal error with a private algorithm, even in the simplest case where the unknown parameter comes from a Gaussian prior. In this work, we give the first efficient algorithms for both of these problems that achieve mean-squared error $(1+o(1))\mathrm{OPT}$ and additionally show that both tasks exhibit an intriguing computational-statistical gap. For Bayesian mean estimation, we prove that the excess risk achieved by our method is optimal among all efficient algorithms within the low-degree framework, yet is provably worse than what is achievable by an exponential-time algorithm. For linear regression, we prove a qualitatively similar lower bound. Our algorithms draw upon the privacy-to-robustness framework of arXiv:2212.05015, but with the curious twist that to achieve private Bayes-optimal estimation, we need to design sum-of-squares-based robust estimators for inherently non-robust objects like the empirical mean and OLS estimator. Along the way we also add to the sum-of-squares toolkit a new kind of constraint based on short-flat decompositions.

As large language models (LLMs) evolve into autonomous "AI scientists," they promise transformative advances but introduce novel vulnerabilities, from potential "biosafety risks" to "dangerous explosions." Ensuring trustworthy deployment in science requires a new paradigm centered on reliability (ensuring factual accuracy and reproducibility), safety (preventing unintentional physical or biological harm), and security (preventing malicious misuse). Existing general-purpose safety benchmarks are poorly suited for this purpose, suffering from a fundamental domain mismatch, limited threat coverage of science-specific vectors, and benchmark overfitting, which create a critical gap in vulnerability evaluation for scientific applications. This paper examines the unique security and safety landscape of LLM agents in science. We begin by synthesizing a detailed taxonomy of LLM threats contextualized for scientific research, to better understand the unique risks associated with LLMs in science. Next, we conceptualize a mechanism to address the evaluation gap by utilizing dedicated multi-agent systems for the automated generation of domain-specific adversarial security benchmarks. Based on our analysis, we outline how existing safety methods can be brought together and integrated into a conceptual multilayered defense framework designed to combine a red-teaming exercise and external boundary controls with a proactive internal Safety LLM Agent. Together, these conceptual elements provide a necessary structure for defining, evaluating, and creating comprehensive defense strategies for trustworthy LLM agent deployment in scientific disciplines.

Predicting stress fields in hyperelastic materials with complex microstructures remains challenging for traditional deep learning surrogates, which struggle to capture both sharp stress concentrations and the wide dynamic range of stress magnitudes. Convolutional architectures such as UNet tend to oversmooth high-frequency gradients, while neural operators like DeepONet exhibit spectral bias and underpredict localized extremes. Diffusion models can recover fine-scale structure but often introduce low-frequency amplitude drift, degrading physical scaling. To address these limitations, we propose a hybrid surrogate framework, cDDPM-DeepONet, that decouples stress morphology from magnitude. A conditional denoising diffusion probabilistic model (cDDPM), built on a UNet backbone, generates normalized von Mises stress fields conditioned on geometry and loading. In parallel, a modified DeepONet predicts global scaling parameters (minimum and maximum stress), enabling reconstruction of full-resolution physical stress maps. This separation allows the diffusion model to focus on spatial structure while the operator network corrects global amplitude, mitigating spectral and scaling biases. We evaluate the framework on nonlinear hyperelastic datasets with single and multiple polygonal voids. The proposed model consistently outperforms UNet, DeepONet, and standalone cDDPM baselines by one to two orders of magnitude. Spectral analysis shows strong agreement with finite element solutions across all wavenumbers, preserving both global behavior and localized stress concentrations.

The Hubbard model at finite chemical potential is a cornerstone for understanding doped correlated systems, but simulations are severely limited by the sign problem. In the auxiliary-field formulation, the spin basis mitigates the sign problem, yet severe ergodicity issues have limited its use. We extend recent advances with normalizing flows at half-filling to finite chemical potential by introducing an annealing scheme enabling ergodic sampling. Compared to state-of-the-art hybrid Monte Carlo in the charge basis, our approach accurately reproduces exact diagonalization results while reducing statistical uncertainties by an order of magnitude, opening a new path for simulations of doped correlated systems.

When working with real-world insurance data, practitioners often encounter challenges during the data preparation stage that can undermine the statistical validity and reliability of downstream modeling. This study illustrates that conventional data preparation procedures such as random train-test partitioning, often yield unreliable and unstable results when confronted with highly imbalanced insurance loss data. To mitigate these limitations, we propose a novel data preparation framework leveraging two recent statistical advancements: support points for representative data splitting to ensure distributional consistency across partitions, and the Chatterjee correlation coefficient for initial, non-parametric feature screening to capture feature relevance and dependence structure. We further integrate these theoretical advances into a unified, efficient framework that also incorporates missing-data handling, and embed this framework within our custom InsurAutoML pipeline. The performance of the proposed approach is evaluated using both simulated datasets and datasets often cited in the academic literature. Our findings definitively demonstrate that incorporating statistically rigorous data preparation methods not only significantly enhances model robustness and interpretability but also substantially reduces computational resource requirements across diverse insurance loss modeling tasks. This work provides a crucial methodological upgrade for achieving reliable results in high stakes insurance applications.

The field of learning-augmented algorithms seeks to use ML techniques on past instances of a problem to inform an algorithm designed for a future instance. In this paper, we introduce a novel model for learning-augmented algorithms inspired by online learning. In this model, we are given a sequence of instances of a problem and the goal of the learning-augmented algorithm is to use prior instances to propose a solution to a future instance of the problem. The performance of the algorithm is measured by its average performance across all the instances, where the performance on a single instance is the ratio between the cost of the algorithm's solution and that of an optimal solution for that instance. We apply this framework to the classic $k$-median clustering problem, and give an efficient learning algorithm that can approximately match the average performance of the best fixed $k$-median solution in hindsight across all the instances. We also experimentally evaluate our algorithm and show that its empirical performance is close to optimal, and also that it automatically adapts the solution to a dynamically changing sequence.

Continuous-variable systems enable key quantum technologies in computation, communication, and sensing. Bosonic Gaussian states emerge naturally in various such applications, including gravitational-wave and dark-matter detection. A fundamental question is how to characterize an unknown bosonic Gaussian state from as few samples as possible. Despite decades-long exploration, the ultimate efficiency limit remains unclear. In this work, we study the necessary and sufficient number of copies to learn an $n$-mode Gaussian state, with energy less than $E$, to $\varepsilon$ trace distance with high probability. We prove a lower bound of $Ω(n^3/\varepsilon^2)$ for Gaussian measurements, matching the best known upper bound up to doubly-log energy dependence, and $Ω(n^2/\varepsilon^2)$ for arbitrary measurements. We further show an upper bound of $\widetilde{O}(n^2/\varepsilon^2)$ given that the Gaussian state is promised to be either pure or passive. Interestingly, while Gaussian measurements suffice for nearly optimal learning of pure Gaussian states, non-Gaussian measurements are provably required for optimal learning of passive Gaussian states. Finally, focusing on learning single-mode Gaussian states via non-entangling Gaussian measurements, we provide a nearly tight bound of $\widetildeΘ(E/\varepsilon^2)$ for any non-adaptive schemes, showing adaptivity is indispensable for nearly energy-independent scaling. As a byproduct, we establish sharp bounds on the trace distance between Gaussian states in terms of the total variation distance between their Wigner distributions, and obtain a nearly tight sample complexity bound for learning the Wigner distribution of any Gaussian state to $\varepsilon$ total variation distance. Our results greatly advance quantum learning theory in the bosonic regimes and have practical impact in quantum sensing and benchmarking applications.

The inference phase of deep neural networks (DNNs) in embedded systems is increasingly vulnerable to fault attacks and failures, which can result in incorrect predictions. These vulnerabilities can potentially lead to catastrophic consequences, making the development of effective mitigation techniques essential. In this paper, we introduce MAED (Mathematical Activation Error Detection), an algorithm-level error detection framework that exploits mathematical identities to continuously validate the correctness of non-linear activation function computations at runtime. To the best of our knowledge, this work is the first to integrate algorithm-level error detection techniques to defend against both malicious fault injection attacks and naturally occurring faults in critical DNN components in embedded systems. The evaluation is conducted on three widely adopted activation functions, namely ReLu, sigmoid, and tanh which serve as fundamental building blocks for introducing non-linearity in DNNs and can lead to mispredictions when subjected to natural faults or fault attacks. We assessed the proposed error detection scheme via fault model simulation, achieving close to 100% error detection while mitigating existing fault attacks on DNN inference. Additionally, the overhead introduced by integrating the proposed scheme with the baseline implementation (i.e., without error detection) is validated through implementations on an AMD/Xilinx Artix-7 FPGA and an ATmega328P microcontroller, as well as through integration with TensorFlow. On the microcontroller, the proposed error detection incurs less than 1% clock cycle overhead, while on the FPGA it requires nearly zero additional area, at the cost of approximately a 20% increase in latency for sigmoid and tanh.

We study transfer learning for contextual joint assortment-pricing under a multinomial logit choice model with bandit feedback. A seller operates across multiple related markets and observes only posted prices and realized purchases. While data from source markets can accelerate learning in a target market, cross-market differences in customer preferences may introduce systematic bias if pooled indiscriminately. We model heterogeneity through a structured utility shift, where markets share a common contextual utility structure but differ along a sparse set of latent preference coordinates. Building on this, we develop Transfer Joint Assortment-Pricing (TJAP), a bias-aware framework that combines aggregate-then-debias estimation with a UCB-style policy. TJAP constructs two-radius confidence bounds that separately capture statistical uncertainty and transfer-induced bias, uniformly over continuous prices. We establish matching minimax regret bounds of order $\tilde{O}\!\left(d\sqrt{\frac{T}{1+H}} + s_0\sqrt{T}\right),$revealing a transparent variance-bias tradeoff: transfer accelerates learning along shared preference directions, while heterogeneous components impose an irreducible adaptation cost. Numerical experiments corroborate the theory, showing that TJAP outperforms both target-only learning and naive pooling while remaining robust to cross-market differences.

With the widespread deployment of deep-learning-based speech models in security-critical applications, backdoor attacks have emerged as a serious threat: an adversary who poisons a small fraction of training data can implant a hidden trigger that controls the model's output while preserving normal behavior on clean inputs. Existing inference-time defenses are not well suited to the audio domain, as they either rely on trigger over-robustness assumptions that fail on transformation-based and semantic triggers, or depend on properties specific to image or text modalities. In this paper, we propose STEP (Stability-based Trigger Exposure Profiling), a black-box, retraining-free backdoor detector that operates under hard-label-only access. Its core idea is to exploit a characteristic dual anomaly of backdoor triggers: anomalous label stability under semantic-breaking perturbations, and anomalous label fragility under semantic-preserving perturbations. STEP profiles each test sample with two complementary perturbation branches that target these two properties respectively, scores the resulting stability features with one-class anomaly detectors trained on benign references, and fuses the two scores via unsupervised weighting. Extensive experiments across seven backdoor attacks show that STEP achieves an average AUROC of 97.92% and EER of 4.54%, substantially outperforming state-of-the-art baselines, and generalizes across model architectures, speech tasks, an open-set verification scenario, and over-the-air physical-world settings.

In Agentic AI, Large Language Models (LLMs) are increasingly used in the orchestration layer to coordinate multiple agents and to interact with external services, retrieval components, and shared memory. In this setting, failures are not limited to incorrect final outputs. They also arise from long-horizon interaction, stochastic decisions, and external side effects (such as API calls, database writes, and message sends). Common failures include non-termination, role drift, propagation of unsupported claims, and attacks via untrusted context or external channels. This paper presents an assurance framework for such Agentic AI systems. Executions are instrumented as Message-Action Traces (MAT) with explicit step and trace contracts. Contracts provide machine-checkable verdicts, localize the first violating step, and support deterministic replay. The framework includes stress testing, formulated as a budgeted counterexample search over bounded perturbations. It also supports structured fault injection at service, retrieval, and memory boundaries to assess containment under realistic operational faults and degraded conditions. Finally, governance is treated as a runtime component, enforcing per-agent capability limits and action mediation (allow, rewrite, block) at the language-to-action boundary. To support comparative evaluations across stochastic seeds, models, and orchestration configurations, the paper defines trace-based metrics for task success, termination reliability, contract compliance, factuality indicators, containment rate, and governance outcome distributions. More broadly, the framework is intended as a common abstraction to support testing and evaluation of multi-agent LLM systems, and to facilitate reproducible comparison across orchestration designs and configurations.