Statistical Methodology
Parameter Estimation for Differential Equation Models Using Generalized Profiling: A Computational Tutorial
Matthew J Simpson, James S Bennett and Ruth E Baker
Parameter estimation connects mathematical models to real-world data and decision making across many scientific and industrial applications. Standard approaches such as maximum likelihood estimation and Markov chain Monte Carlo estimate parameters by repeatedly solving the model, which often requires numerical solutions of differential equation models. In contrast, generalized profiling (also called parameter cascading) focuses directly on the governing differential equation(s), linking the model and data through a penalized likelihood that explicitly measures both the data fit and model fit. Despite several advantages, generalized profiling is relatively rarely used in practice. This tutorial-style article outlines a set of self-directed computational exercises that facilitate skills development in applying generalized profiling to a range of ordinary differential equation models. All calculations can be repeated using reproducible open-source Jupyter notebooks that are available on GitHub.
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Machine Learning (Statistics) · Cross-listed from q-bio.QM
Early warning prediction: Onsager-Machlup vs Schrödinger
Xiaoai Xu, Yixuan Zhou, Xiang Zhou et al. (+2 more)
Predicting critical transitions in complex systems, such as epileptic seizures in the
brain, represents a major challenge in scientific research. The high-dimensional characteristics and hidden critical signals further complicate early-warning tasks. This study proposes a novel early-warning framework that integrates
manifold learning with
stochastic dynamical system modeling. Through systematic comparison, six methods including
diffusion maps (DM) are selected to construct low-dimensional representations. Based on these, a data-driven
stochastic differential equation model is established to robustly estimate the probability
evolution scoring function of the system. Building on this, a new Score Function (SF) indicator is defined by incorporating Schrödinger bridge theory to quantify the likelihood of significant state transitions in the system. Experiments demonstrate that this indicator exhibits higher sensitivity and robustness in epilepsy prediction, enables earlier identification of critical points, and clearly captures dynamic features across various stages before and after seizure onset. This work provides a systematic theoretical framework and practical methodology for extracting early-warning signals from high-dimensional data.
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All authors Xiaoai Xu, Yixuan Zhou, Xiang Zhou, Jingqiao Duan, Ting Gao
Machine Learning (Statistics) · Cross-listed from cs.LG
Optimization, Generalization and Differential Privacy Bounds for Gradient Descent on Kolmogorov-Arnold Networks
Puyu Wang, Junyu Zhou, Philipp Liznerski et al. (+1 more)
Kolmogorov–Arnold Networks (KANs) have recently emerged as a structured alternative to standard MLPs, yet a principled theory for their training dynamics, generalization, and
privacy properties remains limited. In this paper, we analyze gradient descent (GD) for training two-layer KANs and derive general bounds that characterize their training dynamics, generalization, and utility under differential
privacy (DP). As a concrete instantiation, we specialize our analysis to logistic loss under an NTK-separable assumption, where we show that polylogarithmic network width suffices for GD to achieve an optimization rate of order $1/T$ and a generalization rate of order $1/n$, with $T$ denoting the number of GD iterations and $n$ the sample size. In the private setting, we characterize the noise required for $(\epsilon,\delta)$-DP and obtain a utility bound of order $\sqrt{d}/(n\epsilon)$ (with $d$ the input dimension), matching the classical lower bound for general convex Lipschitz problems. Our results imply that polylogarithmic width is not only sufficient but also necessary under differential
privacy, revealing a qualitative gap between non-private (sufficiency only) and private (necessity also emerges) training regimes. Experiments further illustrate how these theoretical insights can guide practical choices, including network width selection and early stopping.
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All authors Puyu Wang, Junyu Zhou, Philipp Liznerski, Marius Kloft
Statistical Methodology
Mixed Latent Position Cluster Models for Networks
Chaoyi Lu and Riccardo Rastelli
Over the last two decades, the Latent Position Model (LPM) has become a prominent tool to obtain model-based visualizations of networks. However, the
geometric structure of the LPM is inherently symmetric, in the sense that outgoing and incoming edges are assumed to follow the same statistical distribution. As a consequence, the canonical LPM framework is not ideal for the analysis of directed networks. In addition, edges may be weighted to describe the duration or intensity of a connection. This can lead to disassortative patterns and other motifs that cannot be easily captured by the underlying geometry. To address these limitations, we develop a novel extension of the LPM, called the Mixed Latent Position Cluster Model (MLPCM), which can deal with asymmetry and non-Euclidean patterns, while providing new interpretations of the latent space. We dissect the directed edges of the network by formally disentangling how a node behaves from how it is perceived by others. This leads to a dual representation of a node's profile, identifying its “overt” and “covert” social positions. In order to efficiently estimate the parameters of our model, we develop a variational Bayes approach to approximate the posterior distribution. Unlike many existing variational frameworks, our
algorithm does not require any additional numerical approximations. Model selection is performed by introducing a novel partially integrated complete likelihood criteria, which builds upon the literature on penalized likelihood methods. We demonstrate the accuracy of our proposed methodology using synthetic
datasets, and we illustrate its practical utility with an application to a
dataset of international arms transfers.
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Machine Learning (Statistics)
It's all In the (Exponential) Family: An Equivalence between Maximum Likelihood Estimation and Control Variates for Sketching Algorithms
Keegan Kang, Kerong Wang, Ding Zhang et al. (+3 more)
Maximum likelihood
estimators (MLE) and control variate
estimators (CVE) have been used in conjunction with known information across sketching
algorithms and applications in machine learning. We prove that under certain conditions in an exponential family, an optimal CVE will achieve the same asymptotic variance as the MLE, giving a fixed point
algorithm for the MLE. Experiments show the fixed point
algorithm is faster and numerically stable compared to other root finding
algorithms for the MLE for the bivariate Normal distribution, and we expect this to hold across distributions satisfying these conditions. We show how this
algorithm leads to reproducibility for
algorithms using MLE / CVE, and demonstrate how the
algorithm leads to finding the MLE when the CV weights are known.
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All authors Keegan Kang, Kerong Wang, Ding Zhang, Rameshwar Pratap, Bhisham Dev Verma, Benedict H.W. Wong
Machine Learning (Statistics)
Amortized Simulation-Based Inference in Generalized Bayes via Neural Posterior Estimation
Shiyi Sun, Geoff K. Nicholls and Jeong Eun Lee
Generalized
Bayesian Inference (GBI) tempers a loss with a temperature $\beta > 0$ to mitigate overconfidence and improve robustness under model misspecification, but existing GBI methods typically rely on costly MCMC or SDE-based samplers and must be re-run for each new
dataset and each $\beta$ value. We give the first fully amortized variational approximation for the tempered posterior family by training a single data- and $\beta$-conditioned neural posterior
estimator that enables sampling in a single forward pass, without simulator calls or inference-time MCMC. We introduce two complementary training routes: one synthesizes off-
manifold samples from the tempered joint distribution, and the other reweights a fixed base
dataset using self-normalized importance sampling (SNIS). We show that the SNIS-weighted objective provides a consistent forward-KL fit to the tempered posterior with finite weight variance. Across four standard simulation-based inference
benchmarks, including the chaotic Lorenz-96 system, our $\beta$-amortized
estimator achieves competitive posterior approximations, in standard two-sample metrics, matching non-amortized MCMC-based power-posterior samplers over a wide range of temperatures.
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Machine Learning (Statistics)
Dependence-Aware Label Aggregation for LLM-as-a-Judge via Ising Models
Krishnakumar Balasubramanian, Aleksandr Podkopaev and Shiva Prasad Kasiviswanathan
Large-scale AI evaluation increasingly relies on aggregating binary judgments from $K$ annotators, including LLMs used as judges. Most classical methods, e.g., Dawid-Skene or (weighted) majority voting, assume annotators are conditionally independent given the true label $Y\in\{0,1\}$, an assumption often violated by LLM judges due to shared data, architectures,
prompts, and failure modes. Ignoring such dependencies can yield miscalibrated posteriors and even confidently incorrect predictions. We study label aggregation through a hierarchy of dependence-aware models based on Ising graphical models and latent factors. For class-dependent Ising models, the Bayes log-odds is generally quadratic in votes; for class-independent couplings, it reduces to a linear weighted vote with correlation-adjusted parameters. We present finite-$K$ examples showing that methods based on conditional independence can flip the Bayes label despite matching per-annotator marginals. We prove separation results demonstrating that these methods remain strictly suboptimal as the number of judges grows, incurring nonvanishing excess risk under latent factors. Finally, we evaluate the proposed method on three real-world
datasets, demonstrating improved performance over the classical baselines.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Knowledge Gradient for Preference Learning
Kaiwen Wu and Jacob R. Gardner
The knowledge gradient is a popular acquisition function in
Bayesian optimization (BO) for optimizing black-box objectives with noisy function evaluations. Many practical settings, however, allow only pairwise comparison queries, yielding a preferential BO problem where direct function evaluations are unavailable. Extending the knowledge gradient to preferential BO is hindered by its computational challenge. At its core, the look-ahead step in the preferential setting requires computing a non-Gaussian posterior, which was previously considered intractable. In this paper, we address this challenge by deriving an exact and analytical knowledge gradient for preferential BO. We show that the exact knowledge gradient performs strongly on a suite of
benchmark problems, often outperforming existing acquisition functions. In addition, we also present a case study illustrating the limitation of the knowledge gradient in certain scenarios.
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Statistical Computation · Cross-listed from cs.LG
Scalable Batch Correction for Cell Painting via Batch-Dependent Kernels and Adaptive Sampling
Aditya Narayan Ravi, Snehal Vadvalkar, Abhishek Pandey et al. (+1 more)
Cell Painting is a microscopy-based, high-content imaging assay that produces rich morphological profiles of
cells and can support drug discovery by quantifying cellular responses to chemical perturbations. At scale, however,
Cell Painting data is strongly affected by batch effects arising from differences in laboratories, instruments, and protocols, which can obscure biological signal. We present BALANS (Batch
Alignment via Local Affinities and Subsampling), a scalable batch-correction method that aligns samples across batches by constructing a smoothed affinity
matrix from pairwise distances. Given $n$ data points, BALANS builds a sparse affinity
matrix $A \in \mathbb{R}^{n \times n}$ using two ideas. (i) For points $i$ and $j$, it sets a local scale using the distance from $i$ to its $k$-th nearest neighbor within the batch of $j$, then computes $A_{ij}$ via a Gaussian kernel calibrated by these batch-aware local scales. (ii) Rather than forming all $n^2$ entries, BALANS uses an adaptive sampling procedure that prioritizes rows with low cumulative neighbor coverage and retains only the strongest affinities per row, yielding a sparse but informative approximation of $A$. We prove that this sampling strategy is order-optimal in sample complexity and provides an approximation guarantee, and we show that BALANS runs in nearly linear time in $n$. Experiments on diverse real-world
Cell Painting
datasets and controlled large-scale synthetic
benchmarks demonstrate that BALANS scales to large collections while improving runtime over native implementations of widely used batch-correction methods, without sacrificing correction quality.
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All authors Aditya Narayan Ravi, Snehal Vadvalkar, Abhishek Pandey, Ilan Shomorony
Statistics Applications · Cross-listed from cs.LG
Label-Efficient Monitoring of Classification Models via Stratified Importance Sampling
Lupo Marsigli and Angel Lopez de Haro
Monitoring the performance of classification models in production is critical yet challenging due to strict labeling budgets, one-shot batch acquisition of labels and extremely low error rates. We propose a general framework based on Stratified Importance Sampling (SIS) that directly addresses these constraints in model monitoring. While SIS has previously been applied in specialized domains, our theoretical analysis establishes its broad applicability to the monitoring of classification models. Under mild conditions, SIS yields unbiased
estimators with strict finite-sample mean squared error (MSE) improvements over both importance sampling (IS) and stratified random sampling (SRS). The framework does not rely on optimally defined proposal distributions or strata: even with noisy proxies and sub-optimal stratification, SIS can improve
estimator efficiency compared to IS or SRS individually, though extreme proposal mismatch may limit these gains. Experiments across binary and multiclass tasks demonstrate consistent efficiency improvements under fixed label budgets, underscoring SIS as a principled, label-efficient, and operationally lightweight methodology for post-deployment model monitoring.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Matrix Factorization for Practical Continual Mean Estimation Under User-Level Differential Privacy
Nikita P. Kalinin, Ali Najar, Valentin Roth et al. (+1 more)
We study continual mean estimation, where data vectors arrive sequentially and the goal is to maintain accurate estimates of the running mean. We address this problem under user-level differential
privacy, which protects each user's entire
dataset even when they contribute multiple data points. Previous work on this problem has focused on pure differential
privacy. While important, this approach limits applicability, as it leads to overly noisy estimates. In contrast, we analyze the problem under approximate differential
privacy, adopting recent advances in the
Matrix Factorization mechanism. We introduce a novel mean estimation specific factorization, which is both efficient and accurate, achieving asymptotically lower mean-squared error bounds in continual mean estimation under user-level differential
privacy.
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All authors Nikita P. Kalinin, Ali Najar, Valentin Roth, Christoph H. Lampert
Statistics Applications
A Time-Varying Branching Process Approach to Model Self-Renewing Cells
Huyen Nguyen, Haim Bar, Zhiyi Chi et al. (+1 more)
Stem
cells, through their ability to produce daughter stem
cells and differentiate into specialized
cells, are essential in the growth, maintenance, and repair of biological tissues. Understanding the dynamics of
cell populations in the proliferation process not only uncovers proliferative properties of stem
cells, but also offers insight into tissue development under both normal conditions and pathological disruption. In this paper, we develop a continuous time branching process model with time-dependent offspring distribution to characterize stem
cell proliferation process. We derive analytical expressions for mean, variance, and autocovariance of the stem
cell counts, and develop likelihood-based inference procedures to estimate model parameters. Particularly, we construct a forward
algorithm likelihood to handle situations when some
cell types cannot be directly observed. Simulation results demonstrate that our estimation method recovers the time-dependent division probabilities with good accuracy.
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All authors Huyen Nguyen, Haim Bar, Zhiyi Chi, Vladimir Pozdnyakov
Statistical Methodology · Cross-listed from cs.LG
Causal Imitation Learning Under Measurement Error and Distribution Shift
Shi Bo and AmirEmad Ghassami
We study offline imitation learning (IL) when part of the decision-relevant state is observed only through noisy measurements and the distribution may change between training and deployment. Such settings induce spurious state-action correlations, so standard behavioral cloning (BC) – whether conditioning on raw measurements or ignoring them – can converge to systematically biased policies under distribution shift. We propose a general framework for IL under measurement error, inspired by explicitly modeling the causal relationships among the variables, yielding a target that retains a causal interpretation and is robust to distribution shift. Building on ideas from proximal causal inference, we introduce CausIL, which treats noisy state observations as proxy variables, and we provide identification conditions under which the target policy is recoverable from demonstrations without rewards or interactive expert queries. We develop
estimators for both discrete and continuous state spaces; for continuous settings, we use an
adversarial procedure over RKHS function classes to learn the required parameters. We evaluate CausIL on semi-simulated longitudinal data from the PhysioNet/Computing in Cardiology Challenge 2019 cohort and demonstrate improved robustness to distribution shift compared to BC baselines.
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Machine Learning (Statistics) · Cross-listed from q-fin.ST
Adaptive Benign Overfitting (ABO): Overparameterized RLS for Online Learning in Non-stationary Time-series
Luis Ontaneda Mijares and Nick Firoozye
Overparameterized models have recently challenged conventional learning theory by exhibiting improved generalization beyond the interpolation limit, a phenomenon known as benign overfitting. This work introduces Adaptive Benign Overfitting (ABO), extending the recursive least-squares (RLS) framework to this regime through a numerically stable formulation based on orthogonal-triangular updates. A QR-based exponentially weighted RLS (QR-EWRLS)
algorithm is introduced, combining random
Fourier feature mappings with forgetting-factor regularization to enable online adaptation under non-stationary conditions. The orthogonal decomposition prevents the numerical divergence associated with covariance-form RLS while retaining adaptability to evolving data distributions. Experiments on nonlinear synthetic time series confirm that the proposed approach maintains bounded residuals and stable condition numbers while reproducing the double-descent behavior characteristic of overparameterized models. Applications to
forecasting foreign exchange and electricity demand show that ABO is highly accurate (comparable to baseline kernel methods) while achieving speed improvements of between 20 and 40 percent. The results provide a unified view linking adaptive filtering, kernel approximation, and benign overfitting within a stable online learning framework.
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Statistical Methodology
Variance component score test for multivariate change point detection with applications to mobile health
Melissa Lynne Martin, Juliette Brook, Sage Rush et al. (+2 more)
Multivariate change point detection is the process of identifying distributional shifts in time-ordered data across multiple features. This task is particularly challenging when the number of features is large relative to the number of observations. This problem is often present in mobile health, where behavioral changes in at-risk patients must be detected in real time in order to
prompt timely interventions. We propose a variance component score test (VC*) for detecting changes in feature means and/or variances using only pre-change point data to estimate distributional parameters. Through simulation studies, we show that VC* has higher power than existing methods. Moreover, we demonstrate that reducing bias by using only pre-change point days to estimate parameters outweighs the increased
estimator variances in most scenarios. Lastly, we apply VC* and competing methods to passively collected smartphone data in adolescents and young adults with affective instability.
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All authors Melissa Lynne Martin, Juliette Brook, Sage Rush, Theodore D. Satterthwaite, Ian J. Barnett
Statistical Methodology
Interval Spacing
Greg Kreider
We define interval spacing as the difference in the order statistics of data over a gap of some width. We derive its density, expected value, and variance for uniform, exponential, and logistic variates. We show that interval spacing is equivalent to running a rectangular low-pass filter over the spacing, which simplifies the expressions for the expected values and introduces correlations between overlapping intervals.
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Statistical Methodology
Information-geometry-driven graph sequential growth
Harry T. Bond, Bertrand Gauthier and Kirstin Strokorb
We investigate the properties of a class of regularisation-free approaches for Gaussian graphical inference based on the information-geometry-driven sequential growth of initially edgeless graphs. Relating the growth of a graph to a coordinate descent process, we characterise the fully-corrective descents corresponding to information-optimal growths, and propose numerically efficient strategies for their approximation. We demonstrate the ability of the proposed procedures to reliably extract sparse graphical models while limiting the number of false detections, and illustrate how activation ranks can provide insight into the informational relevance of edge sets. The considered approaches are tuning-parameter-free and have complexities akin to coordinate descents.
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Statistics Applications
Social Media Data for Population Mapping: A Bayesian Approach to Address Representativeness and Privacy Challenges
Paolo Andrich, Shengjie Lai, Halim Jun et al. (+4 more)
Accurate and timely population data are essential for disaster response and humanitarian planning, but traditional censuses often cannot capture rapid demographic changes. Social media data offer a promising alternative for dynamic population monitoring, but their representativeness remains poorly understood and stringent
privacy requirements limit their reliability. Here, we address these limitations in the context of the Philippines by calibrating Facebook user counts with the country's 2020 census figures. First, we find that differential
privacy techniques commonly applied to social media-based population
datasets disproportionately mask low-population areas. To address this, we propose a
Bayesian imputation approach to recover missing values, restoring data coverage for $5.5\%$ of rural areas. Further, using the imputed social media data and leveraging predictors such as urbanisation level, demographic composition, and socio-economic status, we develop a statistical model for the proportion of Facebook users in each municipality, which links observed Facebook user numbers to the true population levels. Out-of-sample validation demonstrates strong result generalisability, with errors as low as ${\approx}18\%$ and ${\approx}24\%$ for urban and rural Facebook user proportions, respectively. We further demonstrate that accounting for overdispersion and spatial correlations in the data is crucial to obtain accurate estimates and appropriate credible intervals. Crucially, as predictors change over time, the models can be used to regularly update the population predictions, providing a dynamic complement to census-based estimates. These results have direct implications for humanitarian response in disaster-prone regions and offer a general framework for using biased social media signals to generate reliable and timely population data.
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All authors Paolo Andrich, Shengjie Lai, Halim Jun, Qianwen Duan, Zhifeng Cheng, Seth R. Flaxman, Andrew J. Tatem
Statistical Methodology
Greg Kreider
The distribution of the spacing, or the difference between consecutive order statistics, is known only for uniform and exponential random variates. We add here logistic and Gumbel variates, and present an
estimator for distributions with a known inverse cumulative density function. We show the
estimator is accurate to the limit of numerical simulations for points near the middle of the order statistics, but degrades by up to 20% in the tails.
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Machine Learning (Statistics) · Cross-listed from cs.LG
Inverse Problems Conditioned on Observation Ensembles: Applications and Methods
Zhengyan Huan, Camila Pazos, Martin Klassen et al. (+3 more)
We introduce a new multivariate statistical problem that we refer to as the Ensemble-conditioned Inverse Problem (EIP). The aim of EIP is to invert for an ensemble that is distributed according to the pushforward of a prior under a forward process. In high energy physics (HEP), this is related to a widely known problem called unfolding, which aims to reconstruct the true physics distribution from observations that are distorted by detector effects. The EIP also arises in full waveform inversion (FWI) and inverse imaging with unknown priors. We propose non-iterative inference-time methods that construct posterior samplers based on a new class of conditional generative models, which we call ensemble inverse generative models. For the posterior modeling, these models additionally use the ensemble information contained in the observation set on top of single observations. Unlike existing methods, our proposed methods avoid explicit and iterative use of the forward model at inference time via training across several sets of truth-observation pairs that are consistent with the same forward model, but originate from a wide range of priors. We empirically demonstrate that this training procedure can implicitly encode the likelihood model, enabling direct posterior inference for unseen priors to some degree. We
benchmark the proposed method on several synthetic and real
datasets in inverse imaging, HEP, and FWI. Our code is available at https://github.com/ZhengyanHuan/EIP.
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All authors Zhengyan Huan, Camila Pazos, Martin Klassen, Vincent Croft, Pierre-Hugues Beauchemin, Shuchin Aeron
Statistics Theory · Cross-listed from quant-ph
Hierarchy of discriminative power and complexity in learning quantum ensembles
Jian Yao, Pengtao Li, Xiaohui Chen et al. (+1 more)
Distance metrics are central to machine learning, yet distances between ensembles of
quantum states remain poorly understood due to fundamental
quantum measurement constraints. We introduce a hierarchy of integral probability metrics, termed MMD-$k$, which generalizes the maximum mean discrepancy to
quantum ensembles and exhibits a strict trade-off between discriminative power and statistical efficiency as the moment order $k$ increases. For pure-state ensembles of size $N$, estimating MMD-$k$ with arbitrary measurement schemes requires $\Theta(N^{1-1/k})$ samples for constant $k$. At the same time, we prove that any stable distance metric with full discriminative power admits an $O(N\log N)$ upper bound and an $\Omega(N)$ instance-gap lower bound. For
quantum Wasserstein distance, with sufficiently large fixed state dimension, we establish a nearly linear lower bound in the ensemble size at constant additive accuracy, together with an $O(N\log N)$ upper bound. These results provide principled guidance for the design of loss functions in
quantum machine learning, as we illustrate in training
quantum denoising
diffusion probabilistic models.
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All authors Jian Yao, Pengtao Li, Xiaohui Chen, Quntao Zhuang
Machine Learning (Statistics)
Efficient Stochastic Optimisation via Sequential Monte Carlo
James Cuin, Davide Carbone, Yanbo Tang et al. (+1 more)
The problem of optimising functions with intractable gradients frequently arises in machine learning and statistics, ranging from maximum marginal likelihood estimation procedures to fine-tuning of generative models.
Stochastic approximation methods for this class of problems typically require inner sampling loops to obtain (biased)
stochastic gradient estimates, which rapidly becomes computationally expensive. In this work, we develop sequential Monte Carlo (SMC) samplers for optimisation of functions with intractable gradients. Our approach replaces expensive inner sampling methods with efficient SMC approximations, which can result in significant computational gains. We establish convergence results for the basic recursions defined by our methodology which SMC samplers approximate. We demonstrate the effectiveness of our approach on the reward-tuning of energy-based models within various settings.
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All authors James Cuin, Davide Carbone, Yanbo Tang, O. Deniz Akyildiz
Machine Learning (Statistics)
Near-Optimal Private Tests for Simple and MLR Hypotheses
Yu-Wei Chen, Raghu Pasupathy and Jordan Awan
We develop a near-optimal testing procedure under the framework of Gaussian differential
privacy for simple as well as one- and two-sided tests under monotone likelihood ratio conditions. Our mechanism is based on a private mean
estimator with data-driven clamping bounds, whose population risk matches the private minimax rate up to logarithmic factors. Using this
estimator, we construct private test statistics that achieve the same asymptotic relative efficiency as the non-private, most powerful tests while maintaining conservative type I error control. In addition to our theoretical results, our numerical experiments show that our private tests outperform competing DP methods and offer comparable power to the non-private most powerful tests, even at moderately small sample sizes and
privacy loss budgets.
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Machine Learning (Statistics)
Diffusion Path Samplers via Sequential Monte Carlo
James Matthew Young, Paula Cordero-Encinar, Sebastian Reich et al. (+2 more)
We develop
diffusion-based samplers for target distributions known up to a normalising constant. To this end, we rely on the well-known
diffusion path that smoothly interpolates between a simple base distribution and the target, popularised by
diffusion models. We tackle the score estimation problem by developing an efficient sequential Monte Carlo sampler that evolves auxiliary variables from conditional distributions along the path, providing principled score and density estimates for time-varying distributions. To control the variance of score estimates, we further propose practical control variate schedules that incur minimal overhead. We adapt this general framework to paths induced by the Ornstein-Uhlenbeck (OU) time-reversal process,
stochastic interpolants, and
diffusion annealed Langevin dynamics, outlining their trade-offs. Finally, we provide theoretical guarantees and empirically demonstrate the effectiveness of our method on several synthetic and real-world
datasets.
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All authors James Matthew Young, Paula Cordero-Encinar, Sebastian Reich, Andrew Duncan, O. Deniz Akyildiz
Machine Learning (Statistics)
Lev Fedorov, Michaël E. Sander, Romuald Elie et al. (+2 more)
Transformers have revolutionized deep learning across various domains but understanding the precise
token dynamics remains a theoretical challenge. Existing theories of deep
Transformers with layer normalization typically predict that
tokens cluster to a single point; however, these results rely on deterministic weight assumptions, which fail to capture the standard initialization scheme in
Transformers. In this work, we show that accounting for the intrinsic stochasticity of random initialization alters this picture. More precisely, we analyze deep
Transformers where noise arises from the random initialization of value
matrices. Under
diffusion scaling and
token-wise RMS normalization, we prove that, as the number of
Transformer layers goes to infinity, the discrete
token dynamics converge to an interacting-particle system on the sphere where
tokens are driven by a common
matrix-valued Brownian noise. In this limit, we show that initialization noise prevents the collapse to a single cluster predicted by deterministic models. For two
tokens, we prove a phase transition governed by the interaction strength and the
token dimension: unlike deterministic
attention flows, antipodal configurations become attracting with positive probability. Numerical experiments confirm the predicted transition, reveal that antipodal formations persist for more than two
tokens, and demonstrate that suppressing the intrinsic noise degrades accuracy.
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All authors Lev Fedorov, Michaël E. Sander, Romuald Elie, Pierre Marion, Mathieu Laurière
Statistics Theory
Extremal conditional independence for Hüsler-Reiss distributions via modular functions
Karel Devriendt, Ignacio Echave-Sustaeta Rodríguez and Frank Röttger
We study extremal conditional independence for Hüsler-Reiss distributions, which is a parametric subclass of multivariate Pareto distributions. As the main contribution, we introduce two set functions, i.e.~functions which assign a value to the distribution and each of its marginals, and show that extremal conditional independence statements can be characterized by modularity relations for these functions. For the first function, we make use of the close connection between Hüsler-Reiss and Gaussian models to introduce a multiinformation-inspired measure $m^{\text{HR}}$ for Hüsler-Reiss distributions. For the second function, we consider an invariant $\sigma^2$ that is naturally associated to the Hüsler-Reiss parameterization and establish the second modularity criterion under additional positivity constraints. Together, these results provide new tools for describing extremal dependence structures in high-dimensional extreme value statistics. In addition, we study the geometry of a bounded subset of Hüsler-Reiss parameters and its relation with the Gaussian elliptope.
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Machine Learning (Statistics) · Cross-listed from cs.LG
One-Step Bellman Alignment Enables Provably Efficient Transfer in Online RL
Elynn Chen, Enpei Zhang, Jinhang Chai et al. (+1 more)
We study online transfer reinforcement learning (RL) in episodic Markov decision processes, where experience from related source tasks is available during learning on a target task. A fundamental difficulty is that task similarity is typically defined in terms of rewards or transitions, whereas online RL
algorithms operate on Bellman regression targets. As a result, naively reusing source Bellman updates introduces systematic bias and invalidates regret guarantees. We identify one-step Bellman
alignment as the correct abstraction for transfer in online RL and propose re-weighted targeting (RWT), an operator-level correction that retargets continuation values and compensates for transition mismatch via a change of measure. RWT reduces task mismatch to a fixed one-step correction and enables statistically sound reuse of source data. This
alignment yields a two-stage RWT $Q$-learning framework that separates variance reduction from bias correction. Under RKHS function approximation, we establish regret bounds that scale with the complexity of the task shift rather than the target MDP. We further show the required density ratios admit a constructive RKHS
estimator with finite-sample guarantees, and empirically validate robustness to estimated and mis-specified ratios. Empirical results in both tabular and neural network settings demonstrate consistent improvements over single-task learning and naïve pooling, highlighting Bellman
alignment as a model-agnostic transfer principle for online RL.
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All authors Elynn Chen, Enpei Zhang, Jinhang Chai, Yujun Yan
Machine Learning (Statistics) · Cross-listed from math.OC
On Approximate Computation of Critical Points
Amir Ali Ahmadi and Georgina Hall
We show that computing even very coarse approximations of critical points is intractable for simple classes of nonconvex functions. More concretely, we prove that if there exists a
polynomial-time
algorithm that takes as input a
polynomial in $n$ variables of constant degree (as low as three) and outputs a point whose gradient has Euclidean norm at most $2^n$ whenever the
polynomial has a critical point, then P=NP. The
algorithm is permitted to return an arbitrary point when no critical point exists. We also prove hardness results for approximate computation of critical points under additional structural assumptions, including settings in which existence and uniqueness of a critical point are guaranteed, the function is lower bounded, and approximation is measured in terms of distance to a critical point. Overall, our results stand in contrast to the commonly-held belief that, in nonconvex optimization, approximate computation of critical points is a tractable task.
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