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Fast Rates for Nonstationary Weighted Risk Minimization

arXiv.org Machine Learning

Weighted empirical risk minimization is a common approach to prediction under distribution drift. This article studies its out-of-sample prediction error under nonstationarity. We provide a general decomposition of the excess risk into a learning term and an error term associated with distribution drift, and prove oracle inequalities for the learning error under mixing conditions. The learning bound holds uniformly over arbitrary weight classes and accounts for the effective sample size induced by the weight vector, the complexity of the weight and hypothesis classes, and potential data dependence. We illustrate the applicability and sharpness of our results in (auto-) regression problems with linear models, basis approximations, and neural networks, recovering minimax-optimal rates (up to logarithmic factors) when specialized to unweighted and stationary settings.


Transformers Are Born Biased: Structural Inductive Biases at Random Initialization and Their Practical Consequences

arXiv.org Machine Learning

Transformers underpin modern large language models (LLMs) and are commonly assumed to be behaviorally unstructured at random initialization, with all meaningful preferences emerging only through large-scale training. We challenge this assumption by showing that randomly initialized transformers already exhibit strong and systematic structural biases. In particular, untrained models display extreme token preferences: across random input sequences, certain tokens are predicted with probabilities orders of magnitude larger. We provide a mechanistic explanation for this phenomenon by dissecting the transformer architecture at initialization. We show that extreme token preference arises from a contraction of token representations along a random seed-dependent direction. This contraction is driven by two interacting forces: (i) asymmetric nonlinear activations in MLP sublayers induce global (inter-sequence) representation concentration, and (ii) self-attention further amplifies this effect through local (intra-sequence) aggregation. Together, these mechanisms align hidden representations along a direction determined solely by the random initialization, producing highly non-uniform next-token predictions. Beyond mechanistic insight, we demonstrate that these initialization-induced biases persist throughout training, forming a stable and intrinsic model identity. Leveraging this property, we introduce SeedPrint, a fingerprinting method that can reliably distinguish models that differ only in their random initialization, even after extensive training and under substantial distribution shift. Finally, we identify a fundamental positional discrepancy inherent to the attention mechanism's intra-sequence contraction that is causally linked to the attention-sink phenomenon. This discovery provides a principled explanation for the emergence of sinks and offers a pathway for their control.


Principled Confidence Estimation for Deep Computed Tomography

arXiv.org Machine Learning

We present a principled framework for confidence estimation in computed tomography (CT) reconstruction. Based on the sequential likelihood mixing framework (Kirschner et al., 2025), we establish confidence regions with theoretical coverage guarantees for deep-learning-based CT reconstructions. We consider a realistic forward model following the Beer-Lambert law, i.e., a log-linear forward model with Poisson noise, closely reflecting clinical and scientific imaging conditions. The framework is general and applies to both classical algorithms and deep learning reconstruction methods, including U-Nets, U-Net ensembles, and generative Diffusion models. Empirically, we demonstrate that deep reconstruction methods yield substantially tighter confidence regions than classical reconstructions, without sacrificing theoretical coverage guarantees. Our approach allows the detection of hallucinations in reconstructed images and provides interpretable visualizations of confidence regions. This establishes deep models not only as powerful estimators, but also as reliable tools for uncertainty-aware medical imaging.


Decision-Focused Sequential Experimental Design: A Directional Uncertainty-Guided Approach

arXiv.org Machine Learning

We consider the sequential experimental design problem in the predict-then-optimize paradigm. In this paradigm, the outputs of the prediction model are used as coefficient vectors in a downstream linear optimization problem. Traditional sequential experimental design aims to control the input variables (features) so that the improvement in prediction accuracy from each experimental outcome (label) is maximized. However, in the predict-then-optimize setting, performance is ultimately evaluated based on the decision loss induced by the downstream optimization, rather than by prediction error. This mismatch between prediction accuracy and decision loss renders traditional decision-blind designs inefficient. To address this issue, we propose a directional-based metric to quantify predictive uncertainty. This metric does not require solving an optimization oracle and is therefore computationally tractable. We show that the resulting sequential design criterion enjoys strong consistency and convergence guarantees. Under a broad class of distributions, we demonstrate that our directional uncertainty-based design attains an earlier stopping time than decision-blind designs. This advantage is further supported by real-world experiments on an LLM job allocation problem.


Denoising diffusion networks for normative modeling in neuroimaging

arXiv.org Machine Learning

Normative modeling estimates reference distributions of biological measures conditional on covariates, enabling centiles and clinically interpretable deviation scores to be derived. Most neuroimaging pipelines fit one model per imaging-derived phenotype (IDP), which scales well but discards multivariate dependence that may encode coordinated patterns. We propose denoising diffusion probabilistic models (DDPMs) as a unified conditional density estimator for tabular IDPs, from which univariate centiles and deviation scores are derived by sampling. We utilise two denoiser backbones: (i) a feature-wise linear modulation (FiLM) conditioned multilayer perceptron (MLP) and (ii) a tabular transformer with feature self-attention and intersample attention (SAINT), conditioning covariates through learned embeddings. We evaluate on a synthetic benchmark with heteroscedastic and multimodal age effects and on UK Biobank FreeSurfer phenotypes, scaling from dimension of 2 to 200. Our evaluation suite includes centile calibration (absolute centile error, empirical coverage, and the probability integral transform), distributional fidelity (Kolmogorov-Smirnov tests), multivariate dependence diagnostics, and nearest-neighbour memorisation analysis. For low dimensions, diffusion models deliver well-calibrated per-IDP outputs comparable to traditional baselines while jointly modeling realistic dependence structure. At higher dimensions, the transformer backbone remains substantially better calibrated than the MLP and better preserves higher-order dependence, enabling scalable joint normative models that remain compatible with standard per-IDP pipelines. These results support diffusion-based normative modeling as a practical route to calibrated multivariate deviation profiles in neuroimaging.


Solving Stochastic Variational Inequalities without the Bounded Variance Assumption

arXiv.org Machine Learning

We analyze algorithms for solving stochastic variational inequalities (VI) without the bounded variance or bounded domain assumptions, where our main focus is min-max optimization with possibly unbounded constraint sets. We focus on two classes of problems: monotone VIs; and structured nonmonotone VIs that admit a solution to the weak Minty VI. The latter assumption allows us to solve structured nonconvex-nonconcave min-max problems. For both classes of VIs, to make the expected residual norm less than $\varepsilon$, we show an oracle complexity of $\widetilde{O}(\varepsilon^{-4})$, which is the best-known for constrained VIs. In our setting, this complexity had been obtained with the bounded variance assumption in the literature, which is not even satisfied for bilinear min-max problems with an unbounded domain. We obtain this complexity for stochastic oracles whose variance can grow as fast as the squared norm of the optimization variable.


Asymptotically optimal sequential change detection for bounded means

arXiv.org Machine Learning

We consider the problem of quickest changepoint detection under the Average Run Length (ARL) constraint where the pre-change and post-change laws lie in composite families $\mathscr{P}$ and $\mathscr{Q}$ respectively. In such a problem, a massive challenge is characterizing the best possible detection delay when the "hardest" pre-change law in $\mathscr{P}$ depends on the unknown post-change law $Q\in\mathscr{Q}$. And typical simple-hypothesis likelihood-ratio arguments for Page-CUSUM and Shiryaev-Roberts do not at all apply here. To that end, we derive a universal sharp lower bound in full generality for any ARL-calibrated changepoint detector in the low type-I error ($ฮณ\to\infty$ regime) of the order $\log(ฮณ)/\mathrm{KL}_{\mathrm{inf}}(Q,\mathscr{P})$. We show achievability of this universal lower bound by proving a tight matching upper bound (with the same sharp $\logฮณ$ constant) in the important bounded mean detection setting. In addition, for separated mean shifts, we also we derive a uniform minimax guarantee of this achievability over the alternatives.


Privacy Amplification Persists under Unlimited Synthetic Data Release

arXiv.org Machine Learning

We study privacy amplification by synthetic data release, a phenomenon in which differential privacy guarantees are improved by releasing only synthetic data rather than the private generative model itself. Recent work by Pierquin et al. (2025) established the first formal amplification guarantees for a linear generator, but they apply only in asymptotic regimes where the model dimension far exceeds the number of released synthetic records, limiting their practical relevance. In this work, we show a surprising result: under a bounded-parameter assumption, privacy amplification persists even when releasing an unbounded number of synthetic records, thereby improving upon the bounds of Pierquin et al. (2025). Our analysis provides structural insights that may guide the development of tighter privacy guarantees for more complex release mechanisms.


Piecewise Deterministic Markov Processes for Bayesian Inference of PDE Coefficients

arXiv.org Machine Learning

We develop a general framework for piecewise deterministic Markov process (PDMP) samplers that enables efficient Bayesian inference in non-linear inverse problems with expensive likelihoods. The key ingredient is a surrogate-assisted thinning scheme in which a surrogate model provides a proposal event rate and a robust correction mechanism enforces an upper bound on the true rate by dynamically adjusting an additive offset whenever violations are detected. This construction is agnostic to the choice of surrogate and PDMP, and we demonstrate it for the Zig-Zag sampler and the Bouncy particle sampler with constant, Laplace, and Gaussian process (GP) surrogates, including gradient-informed and adaptively refined GP variants. As a representative application, we consider Bayesian inference of a spatially varying Young's modulus in a one-dimensional linear elasticity problem. Across dimensions, PDMP samplers equipped with GP-based surrogates achieve substantially higher accuracy and effective sample size per forward model evaluation than Random Walk Metropolis algorithm and the No-U-Turn sampler. The Bouncy particle sampler exhibits the most favorable overall efficiency and scaling, illustrating the potential of the proposed PDMP framework beyond this particular setting.


Data Kernel Perspective Space Performance Guarantees for Synthetic Data from Transformer Models

arXiv.org Machine Learning

Scarcity of labeled training data remains the long pole in the tent for building performant language technology and generative AI models. Transformer models -- particularly LLMs -- are increasingly being used to mitigate the data scarcity problem via synthetic data generation. However, because the models are black boxes, the properties of the synthetic data are difficult to predict. In practice it is common for language technology engineers to 'fiddle' with the LLM temperature setting and hope that what comes out the other end improves the downstream model. Faced with this uncertainty, here we propose Data Kernel Perspective Space (DKPS) to provide the foundation for mathematical analysis yielding concrete statistical guarantees for the quality of the outputs of transformer models. We first show the mathematical derivation of DKPS and how it provides performance guarantees. Next we show how DKPS performance guarantees can elucidate performance of a downstream task, such as neural machine translation models or LLMs trained using Contrastive Preference Optimization (CPO). Limitations of the current work and future research are also discussed.