covariance matrix
Constructing efficient channels for ideal observers using the conjugate gradient method
Purpose: Task-based assessment of image quality (IQ) is critically important for the design and optimization of medical imaging systems. Ideal observers, including the Bayesian Ideal Observer (IO) and the ideal linear observer, i.e., the Hotelling observer (HO), provide objective figures of merit (FOMs) that quantify system performance on signal detection tasks. However, the application of ideal observers to high-dimensional image data is often computationally intractable. Channel mechanisms provide an effective framework for dimensionality reduction that can facilitate the computation of ideal observers. This work presents a conjugate gradient (CG)-based method to construct efficient channels for approximating the IO and HO performance.
Gaussian Process-based learning with new MCMC-based implementation of Wishart prior on correlation matrix
Warrior, Kane, Chakrabarty, Dalia
Gaussian Process (GP) models are widely used as probabilistic models for nonlinear functions because they combine flexible function modelling with uncertainty quantification (Rasmussen and Williams, 2006; Williams, 1998; MacKay, 1992; Neal, 1995). Their predictive performance depends heavily on how kernel hyperparameters are learnt (Sundararajan and Keerthi, 2001). This becomes especially important in higher-dimensional multivariate settings, where many input-specific hyperparameters may be present and where only some inputs may contribute meaningful predictive structure (MacKay, 1992; Neal, 1995; Rasmussen and Williams, 2006; Linkletter et al., 2006; Paananen et al., 2019). In standard Bayesian formulations of GP learning, prior specification is usually imposed directly on kernel hyperparameters such as lengthscales, amplitude parameters, and noise terms (Rasmussen and Williams, 2006; Williams, 1998). This is natural from a modelling point of view, but it does not always give useful control over the covariance structure that those hyperparameters induce over the observed design points (Barnard et al., 2000; Gelman, 2006; Daniels and Kass, 1999; Huang and Wand, 2013). However, it is this induced covariance matrix that directly governs likelihood evaluation, numerical stability, and predictive behaviour (Rasmussen and Williams, 2006; Stein, 1999). 1
Optimal Non-Asymptotic Edgeworth Expansions for Multivariate Neural Network Outputs
Finite-width fully connected neural networks with Gaussian-initialized weights deviate from their infinite-width Gaussian limit, exhibiting non-vanishing higher-order cumulants. We approximate these deviations, for a neural network evaluated in a finite number of inputs, using multidimensional Edgeworth expansions of arbitrary order $4m-1$, with $m\in\mathbb{N}$. Assuming that the corresponding Gaussian limit has an invertible covariance matrix and that the activation function is polynomially bounded, we establish a bound of order $n^{-m}$ on the total variation distance between the law of the true network output and its Edgeworth approximation, with matching lower bounds. As an application, we quantify the error in Bayesian posterior distributions when the prior is replaced by its Edgeworth expansion. Our results are more general and also apply to sequences of conditionally Gaussian vectors converging to a Gaussian vector with invertible covariance.
Private Adaptive Covariance Estimation via Gaussian Graphical Models
Ferrando, Cecilia, Fuentes, Miguel, Mullins, Brett, Musco, Cameron, Sheldon, Daniel
We propose PACE-GGM, a data-adaptive differentially private method for covariance estimation that concentrates its privacy budget on the most informative entries of the empirical covariance matrix, rather than perturbing all entries. This applies in the natural setting where the modeler supplies separate bounds for each variable, so that individual entries can be measured with less noise than the full matrix. In each round, our method selects a poorly approximated entry, measures it using the Gaussian mechanism, and then reconstructs a full covariance matrix using a maximum-entropy reconstruction objective, leading to a Gaussian graphical model structure. Experiments on diverse real-world datasets demonstrate consistent improvements in estimation error with respect to the Gaussian mechanism and other baselines, particularly in high-dimensional and low-to-moderate privacy regimes.
Score-Based Causal Discovery of Latent Variable Causal Models
Ng, Ignavier, Dong, Xinshuai, Dai, Haoyue, Huang, Biwei, Spirtes, Peter, Zhang, Kun
Identifying latent variables and the causal structure involving them is essential across various scientific fields. While many existing works fall under the category of constraint-based methods (with e.g. conditional independence or rank deficiency tests), they may face empirical challenges such as testing-order dependency, error propagation, and choosing an appropriate significance level. These issues can potentially be mitigated by properly designed score-based methods, such as Greedy Equivalence Search (GES) (Chickering, 2002) in the specific setting without latent variables. Yet, formulating score-based methods with latent variables is highly challenging. In this work, we develop score-based methods that are capable of identifying causal structures containing causally-related latent variables with identifiability guarantees. Specifically, we show that a properly formulated scoring function can achieve score equivalence and consistency for structure learning of latent variable causal models. We further provide a characterization of the degrees of freedom for the marginal over the observed variables under multiple structural assumptions considered in the literature, and accordingly develop both exact and continuous score-based methods. This offers a unified view of several existing constraint-based methods with different structural assumptions. Experimental results validate the effectiveness of the proposed methods.
Theoretical guidelines for annealed Langevin dynamics in compositional simulation-based inference
Touron, Camille, Cardoso, Gabriel V., Arbel, Julyan, Rodrigues, Pedro L. C.
Compositional score-based approaches to simulation-based inference (SBI) approximate the posterior over a shared parameter given $n$ independent observations by aggregating individually learned posterior scores: currently, there are two main propositions of such methods (Geffner et al. (2023), Linhart et al. (2026)). As the resulting composite score does not correspond to the score of any distribution along the forward diffusion path of the true multi-observation posterior, sampling from it via a reverse SDE leads to an irreducible bias. Annealed Langevin dynamics provides a principled alternative: it treats the composite score as the genuine score of a sequence of tractable bridging densities and samples from them in succession. When properly tuned, it could lead to a controllable bias. However, its hyperparameters, namely step sizes, the number of steps per level, and the number of annealing levels, have so far been chosen empirically. We derive Wasserstein bounds for annealed Langevin with approximate scores and translate them into explicit decision rules for these hyperparameters that guarantee a prescribed sampling accuracy, while highlighting different theoretical aspects of each composite score formulation. In the Gaussian setting, we obtain closed-form expressions for all relevant quantities and prove that the bridging densities of Linhart et al. (2026) consistently admit larger step sizes and require fewer total Langevin steps than those of Geffner et al. (2023). Furthermore, we show empirically that the tuning obtained in the Gaussian setting generalizes to more complex problems, thus providing a well-understood and theoretically grounded starting point for practitioners using compositional score-based approaches.
A Fourier perspective on the learning dynamics of neural networks: from sample complexities to mechanistic insights
Ricci, Fabiola, Merger, Claudia, Goldt, Sebastian
Neural networks trained with gradient-based methods exhibit a strong simplicity bias: they learn simpler statistical features of their data before moving to more complex features. Previous analyses of this phenomenon have largely focused on settings with (quasi-)isotropic inputs. In this work, we study the simplicity bias from a Fourier perspective, which allows us to include two key features of natural images in the analysis: approximate translation-invariance and power-law spectra. We first show experimentally that simple neural networks trained on image classification tasks first rely on amplitude information -- related to pair-wise correlations between pixels -- before exploiting phase information, which encodes edges and higher-order correlations. In view of this, we introduce a synthetic data model for translation-invariant inputs that allows precise control over amplitudes and phases while remaining tractable. We rigorously establish that for isotropic and high-dimensional inputs, classification based on phase information alone is a genuinely hard task: online stochastic gradient descent (SGD) cannot distinguish the structured inputs from noise within $n \ll N^3$ steps, but needs at least $n \gg N^3 \log^2{N}$ steps. In contrast, we show both experimentally and theoretically that power-law spectra can dramatically accelerate the speed of learning phase information, even if the spectra do not help with classification. Simulations with two-layer networks trained on textures and with deep convolutional networks on ImageNet and CIFAR100 confirm this non-trivial interaction between amplitudes and phases, providing mechanistic insights into how deep neural networks can learn natural image distributions efficiently.
Self-Distillation is Optimal Among Spectral Shrinkage Estimators in Spiked Covariance Models
Lecoiu, Radu, Mukherjee, Debarghya, Sur, Pragya
Self-distillation has emerged as a promising technique for improving model performance in modern machine learning systems. We develop the statistical foundations of self-distillation in spiked covariance models, by introducing and analyzing a broad class of estimators, namely spectral shrinkage estimators. We establish that for spiked covariance matrices with $s$ spikes, $s$-step self-distillation achieves optimal performance among spectral shrinkage estimators, outperforming well-known estimators in statistics and machine learning. Moreover, we show that $s$ steps are necessary for optimality: any $(s-k)$-step distilled estimator is strictly suboptimal for $1 \leq k \leq s$. For the special subclass of isotropic covariances, we show that optimally tuned Ridge regression performs best among spectral shrinkage estimators. We also study a federated approach where multiple data centers share spectral shrinkage estimators and a common server seeks to aggregate them to achieve optimal performance. In this case, we find that the best local rule again takes the form of self-distillation, though it differs from the optimal rule when data are hosted centrally on a single server. Together, our results elucidate why self-distillation improves predictive performance and provide a broader statistical framework connecting it with classical shrinkage-based methods.
Attention-based PCA
Maulen-Soto, Rodrigo, Boyer, Claire
We study attention mechanisms through the lens of a canonical unsupervised problem: principal component analysis (PCA). We show that, when trained on Gaussian data, both softmax and linear attention layers learn parameters that align with the principal eigenvectors of the covariance matrix, thereby establishing a direct and explicit connection with PCA. Our analysis covers both finite and infinite prompt regimes. In the infinite-prompt limit, we prove convergence to globally optimal solutions aligned with the leading spectral direction, while in the finiteprompt setting we show that the same behavior emerges up to sampling effects. We further extend the analysis to an in-context setting with spiked Wishart covariances, where attention successfully recovers the underlying signal direction. These results demonstrate that attention inherently performs PCA-like computations under unsupervised objectives, providing a theoretical foundation for its representation-learning capabilities.
How Does Attention Help? Insights from Random Matrices on Signal Recovery from Sequence Models
We study the spectral properties of sample covariance matrices constructed from pooled sequence representations, where token embeddings are drawn from a fixed two-class Gaussian mixture table and pooled via (fixed) attention weights. Working in the high-dimensional regime $d,V,N\to\infty$ with $d/V\toδ$ and $d/N\toγ$, we derive exact characterizations of the limiting eigenvalue distribution, outlier eigenvalues, and eigenvector alignment with the hidden signal. The bulk spectrum follows a non-Marchenko--Pastur law given by the free multiplicative convolution $κ(MP_δ\boxtimes MP_γ)$, reflecting the finite vocabulary structure. Signal recovery undergoes two successive BBP-type phase transitions characterized by the scalars: $δ,γ,α=w^{\top} R w$ and $κ=\|w\|^2$, where $w$ denotes the attention pooling weights and $R$ the positional correlation matrix. An aftermath of our analysis demonstrates that the optimal attention weights maximizing the signal-to-noise ratio $α/κ$ are given by the (normalized) top eigenvector of $R$, and we show (as a particular case of our analysis) that parameter-free causal self-attention with $τ/d$ score scaling yields deterministic harmonic weights that improve signal recovery over mean pooling whenever early tokens carry more signal. Extensive simulations confirm sharp agreement between theory and finite-dimensional experiments.