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Training data attribution in diffusion models via mirrored unlearning and noise-consistent skew

arXiv.org Machine Learning

Training data attribution (TDA) should enable generative model interpretability and foster a variety of related downstream tasks. Nonetheless, current TDA approaches lack reliability and robustness, preventing their adoption in real-world setups. In this paper, we take a decisive step towards more reliable and robust TDA for diffusion models. We propose to perform TDA with mirrored unlearning and noise-consistent skew (MUCS). The idea is to fine-tune a second model with bounded mirrored gradient ascent, and to measure the normalized skew of this model with respect to the original one using consistent noise samples. We show that, while being conceptually simple and generic, MUCS systematically outperforms existing methods on three different datasets by a large margin. We additionally study the effect that core design choices have on final performance, and analyze novel aspects regarding the overlap of influential instances across generated items and the potential of ensembling TDA approaches. We believe that our findings may have broader implications for more general unlearning setups, as well as for tasks requiring the comparison of diffusion losses.


From Saddle Points Toward Global Minima: A Newton-Type Method on Wasserstein Space

arXiv.org Machine Learning

We study the minimization of non-convex functionals over the Wasserstein space. While recent work has showed that perturbed Wasserstein gradient methods can avoid saddle points for benign landscapes, existing approaches remain essentially first-order and do not provide fast local convergence once the iterates enter a neighborhood of a global minimizer. We propose Wasserstein Saddle-Free Newton (WSFN), a second-order method that preconditions the Wasserstein gradient by a regularized square root of the squared Wasserstein Hessian. This construction preserves attraction toward directions of positive curvature while inducing repulsion along directions of negative curvature, thereby overcoming the tendency of standard Wasserstein Newton dynamics to be attracted to saddles. We also establish second-order sufficient optimality conditions on Wasserstein space for strict local minimality. Under regularity and benign landscape assumptions, we prove that WSFN escapes saddle regions and reaches an $α$-neighborhood of a global minimizer in polynomial time, with improved dependence on saddle parameters compared with prior perturbed first-order methods. Once inside this neighborhood, we show that WSFN converges linearly in $L^2$-Wasserstein distance to a non-degenerate global minimizer. Finally, we present a particle-based implementation of the method.


Scalable Decision-Focused Learning through Cost-Sensitive Regression

arXiv.org Machine Learning

Many real-world combinatorial problems involve uncertain parameters, which can be predicted given contextual features and historical data. These `predict-then-optimize' or `contextual optimization' problems have gained significant attention: end-to-end training methods can now minimize the downstream task cost rather than the predictive error. However, despite their effectiveness, these decision-focused learning (DFL) approaches often rely on repeated solving of the underlying combinatorial optimization problem during training, making them computationally expensive and difficult to scale. We reframe the learning problem as a cost-sensitive multi-output regression problem: multi-output due to the combinatorial problem having multiple uncertain parameters, and cost-sensitive due to the downstream task cost being the real target. Our technical contribution is the formalization of multiple loss function components that follow from this reframing: cost-insensitive normalization, decision-aware asymmetric penalization of over- and underpredictions, and instance-based costs that mimic the true downstream task-based loss locally. These components require zero or one solve per training data instance, while requiring no further solves during training. Experiments show that the combination of loss components achieves comparable downstream task quality to the state of the art, while being significantly more efficient, enabling scaling to problem sizes that have not been tackled before with DFL.


Uncertainty Reliability Under Domain Shift: An Investigation for Data-Driven Blood Pressure Estimation in Photoplethysmography

arXiv.org Machine Learning

Uncertainty quantification (UQ) is critical for safety-critical domains like healthcare, yet it is rarely evaluated under realistic out-of-distribution (OOD) conditions. Here, we assessed predictive performance and uncertainty reliability for deep learning-based blood pressure (BP) estimation from photoplethysmography (PPG) signals under both in-distribution (ID) and OOD settings. Using an XResNet1D-50 trained on PulseDB and tested on four external datasets, we compared deep ensembles (DE) and Monte Carlo dropout (MCD) with Gaussian negative log-likelihood (GNLL) and mean squared error (MSE) losses, optionally followed by post-hoc recalibration via conformal prediction (CP), temperature scaling (TS), and isotonic regression (IR). The key findings of our study are as follows: (1) DE provides stronger predictive robustness under domain shift than MCD, an advantage that becomes clear primarily under external shift. (2) Recalibrated GNLL-based methods yield the best uncertainty calibration (e.g., GNLL+DE+CP for systolic blood pressure (SBP), GNLL+DE+TS for diastolic blood pressure (DBP)), while MSE-based uncertainty requires recalibration to become practically useful. (3) Across settings, CP and TS offer the most consistent gains, with IR remaining competitive in several cases. Overall, our results identify DE-based methods as most robust for predictive performance under domain shift, GNLL as strongest for native UQ, and recalibration as essential for making MSE-based uncertainty practical. These findings highlight the need to jointly assess predictive accuracy and calibration on external data for trustworthy cuffless BP estimation


A data-driven Fourier-mixture neural-network method for density estimation

arXiv.org Machine Learning

We propose a data-driven Fourier-trained neural-network method for estimating fixed-horizon probability densities from empirical characteristic-function (CF) information. The estimator is a positive Gaussian--Laplace mixture with closed-form CF, so training can be performed directly in Fourier space while preserving nonnegativity and unit mass. We consider two sampling settings. In the direct i.i.d. sampling setting, the method is trained against an empirical CF constructed from i.i.d. samples. In the resampling-based pseudo-sampling setting, it is trained against an empirical pseudo-CF constructed from dependent data by resampling. For the direct i.i.d. case, we derive an expected $L_2$ error bound that separates Fourier truncation, empirical training error, discretization, and CF sampling error. For the pseudo-sampling case, we obtain a conditional analogue with two additional pseudo-law discrepancy terms. We develop a multidimensional extension of the framework and analyze its computational complexity. Numerical experiments show competitive performance relative to Expectation--Maximization on Gaussian-mixture benchmarks, clear gains on heavy-tailed targets, $L_2$ error decay consistent with the theory in a well-specified setting, and effective estimation of one-year Australian equity return law from resampled dependent data.


Unveiling Memorization-Generalization Coexistence: A Case Study on Arithmetic Tasks with Label Noise

arXiv.org Machine Learning

Highly over-parameterized models can simultaneously memorize noisy labels and generalize well, yet how these behaviors coexist remains poorly understood. In this work, we investigate the underlying mechanisms of this coexistence using modular arithmetic tasks under heavy label noise. Through extensive experiments on two-layer neural networks, we find that larger models tend to generalize better under appropriate optimization and model configurations, while noisy labels are memorized faster than clean data. Over-parameterized models internally form a generalization structure, but its expression in the output is suppressed by the need to fit noisy labels. Remarkably, even with 80\% label noise, near-perfect test accuracy can be achieved by extracting this internal structure using frequency-based methods. We further propose a task-agnostic method to partition networks into generalization and memorization components. Although this subnetwork improves generalization, it is limited compared with frequency-based extraction, indicating that the generalization structure is distributed across neurons and motivating the development of new tools to retrieve generalizable knowledge from over-parameterized networks.


A note on connections between the Föllmer process and the denoising diffusion probabilistic model

arXiv.org Machine Learning

The Föllmer process is a Brownian motion conditioned to have a pre-specified distribution at time 1. This process can be interpreted as an "augmented" time-compressed version of the reverse stochastic differential equation (SDE) for the denoising diffusion probabilistic model (DDPM). While this fact has been indirectly used to analyze DDPM sampling errors via discretization of the reverse SDE, connections between direct discretization of the Föllmer process and the DDPM sampler have not yet been fully explored. This note aims to clarify this point while surveying relevant results from existing work. We show that discretized Föllmer processes give natural hyper-parameter settings of the DDPM sampler. Moreover, this allows us to systematically recover state-of-the-art results on DDPM sampling error bounds with slight improvements.


On efficient robust regression with subquadratic samples

arXiv.org Machine Learning

We revisit the problem of robust linear regression under Gaussian covariates with an unknown covariance matrix of condition number $κ$. For this fundamental problem, significant gaps remain in our understanding of the trade-offs among sample complexity, condition number, runtime, and prediction error for efficient algorithms. Our first result is a near-linear-time algorithm that uses $\widetilde{O}(d/ε^4)$ samples, where $d$ is the dimension and $ε$ is the corruption rate, and achieves prediction error $O(\sqrt{εκ})$ under the condition $εκ\lesssim 1$, improving over all prior works. We complement this result with a Statistical Query (SQ) lower bound showing that efficient SQ algorithms achieving error $o(\sqrt{εκ})$ when $εκ\lesssim 1$ require queries that take $Ω(d^2)$ samples to simulate. Finally, we prove a low-degree polynomial lower bound that gives fine-grained evidence that, without assumptions such as $εκ\lesssim 1$, efficient algorithms may require $\tildeΩ\left(\min\{dε^{2}κ^{2},\ ε^{2}d^{2}\}\right)$ samples to significantly outperform the trivial estimator that always guesses $0$.


Wasserstein bounds for denoising diffusion probabilistic models via the Föllmer process

arXiv.org Machine Learning

This paper studies sampling error bounds for denoising diffusion probabilistic models (DDPMs) in the 2-Wasserstein distance. Our contributions are threefold. (i) Under general Lipschitz-type conditions on the score function and for a broad class of variance schedules, including the cosine schedule, we establish sharp upper bounds that are optimal in both the dimension and the number of steps, and recover several sharp error bounds previously obtained in the literature. (ii) We prove that the same Lipschitz-type conditions, which encompass those commonly imposed on the (learned) score, imply a logarithmic Sobolev inequality and hence a quadratic transportation cost inequality for the DDPM. As a consequence, in settings covered by existing work, an optimal Wasserstein bound, up to a logarithmic factor, follows from the recently obtained sharp error bound in the Kullback-Leibler divergence under geometric-type variance schedules. (iii) We show that for general log-concave target distributions, the optimal Wasserstein error bound remains attainable even without a quadratic transportation cost inequality for the target. Our analysis is based on viewing the DDPM sampler as a discretization of the Föllmer process rather than the conventional reverse Ornstein-Uhlenbeck process.


Ringmaster LMO: Asynchronous Linear Minimization Oracle Momentum Method

arXiv.org Machine Learning

Muon has recently emerged as a strong alternative to AdamW for training neural networks, with encouraging large-scale pretraining results and growing evidence that matrix-structured updates can be faster in practice. Yet Muon, and more generally Linear Minimization Oracle (LMO) based methods, are typically used synchronously. This is problematic in heterogeneous distributed systems, where workers complete gradient computations at different speeds and synchronous training must repeatedly wait for slower workers. In this work, we introduce Ringmaster LMO, an asynchronous LMO-based momentum method for unconstrained stochastic nonconvex optimization. Our method builds on the delay-thresholding idea of Ringmaster ASGD. For SGD-type methods, Ringmaster ASGD achieves optimal time complexity by discarding overly stale gradients. Ringmaster LMO extends this mechanism to general LMO-based updates. We establish convergence guarantees under generalized $(L_0, L_1)$-smoothness and further develop a parameter-agnostic variant with decreasing stepsizes and adaptive delay thresholds. Finally, we translate our iteration guarantees into time complexity bounds under heterogeneous worker computation times. In the classical Euclidean smooth setting, these bounds recover the optimal time complexity of Ringmaster ASGD. Experiments on stochastic quadratic problems and NanoChat language-model pretraining show that the advantages of Ringmaster LMO grow with system heterogeneity and that the method outperforms strong synchronous and asynchronous baselines.