A framework for E(3)-equivariant UQ is introduced, modeling the full predictive distribution where both mean and covariance preserve rotational symmetry, and a Log-Euclidean Equivariant Scoring Objective (LE-ESO) is formulated, a robust surrogate loss based on the Multivariate Laplace distribution providing robustness to heavy-tailed errors and stable optimization.
Abstract
Tensor-valued prediction is fundamental to geometric deep learning, yet uncertainty quantification (UQ) for such outputs remains an open challenge. While E(3)-equivariant neural networks excel at point estimates, they lack rigorous confidence measures. We focus on symmetric rank-2 tensor prediction, where the target has six Kelvin--Mandel coordinates and full uncertainty is represented by a $6\times6$ covariance matrix. We introduce a framework for E(3)-equivariant UQ, modeling the full predictive distribution where both mean and covariance preserve rotational symmetry. Our approach decomposes the covariance into irreducible representations $\mathrm{Sym}^2(\rho_c) \cong 2\times(l=0) \oplus 2\times(l=2) \oplus 1\times(l=4)$. By mapping from the flat Lie algebra $\mathfrak{sym}(6)$ to the curved SPD manifold via matrix exponentiation, we strictly ensure positive-definite covariances while maintaining exact equivariance. Furthermore, we formulate a Log-Euclidean Equivariant Scoring Objective (LE-ESO)---a robust surrogate loss based on the Multivariate Laplace distribution---providing robustness to heavy-tailed errors and stable optimization. Validation on ModelNet40 inertia tensors and Materials Project dielectric tensors demonstrates that our method achieves competitive performance and provides physically consistent, symmetry-preserving uncertainty estimates with useful risk and OOD sensitivity.
This tutorial provides a comprehensive introduction to rotational equivariance, starting from the physical and geometric intuition behind coordinate independence and building up the necessary machinery from geometric deep learning, group theory, and representation theory.
We study exact Kullback--Leibler (KL) projection for low-rank factorizations whose two nonnegative factors have prescribed row marginals and a shared, learned column marginal. For arbitrary positive row marginals of equal total mass, the joint KL projection reduces exactly to a strictly convex gauge-fixed dual with only $r-1$ effective variables; its Hessian is a sum of categorical covariance terms and admits $O((n+m)r)$ matrix-free Hessian--vector products. The projection theorem is objective-independent. We then specialize this geometry to doubly stochastic (DS) graph learning through $W=U\operatorname{Diag}(g)^{-1}V^\top$, where row-simplex factors with a common column mass induce an exactly DS graph without materializing an $n\times n$ optimization variable. Combined with observed-edge sparse fitting, a stochastic anchor-reduced manifold regularizer, and Bregman backtracking, the resulting mirror-descent method preserves exact feasibility at every accepted step. Under a nonvanishing latent-mass condition, it satisfies sufficient decrease and an $O(1/N)$ mirror-stationarity bound, while strictly positive accumulation points are KKT stationary. Matched clustering experiments show competitive accuracy, feasibility residuals near numerical precision, and favorable anytime behavior without a dense learned graph.
In Geometric Deep Learning, inductive biases serve two primary functions: enforcing manifold constraints and embedding relational priors. Currently, representation learning on SPD manifolds frequently relies on pullback Euclidean metrics, such as the Log-Euclidean Metric, to satisfy the former. While computationally efficient in avoiding domain boundary violations, these metrics induce a flat geometry that may fail to capture the intrinsic relational priors of datasets. While metrics such as the Poincar\'e metric are widely utilized to induce domain-aligned relational priors, generalizing them from standard vector representations to the SPD manifold has remained a challenge. To bridge this gap, we introduce a Nested Inductive Bias framework that utilizes a two-stage diffeomorphic composition to formally pull back non-Euclidean target geometries onto the SPD manifold. This framework enables the construction of curvature-aligned Riemannian classifiers that simultaneously respect matrix constraints and the latent relational geometry of the data. Empirical evaluations on kinematic and signal processing benchmarks, together with synthetic experiments, demonstrate that deep manifold networks experience degradation in class separability unless the metric curvature aligns with the intrinsic data distribution. Furthermore, for standard vectorized architectures, we propose the Rational Conformal Metric (RCM), designed to establish state-of-the-art geometric robustness against outliers by bounding the representation space.
TFMs are introduced, realization-level Mathematical Structures in which a learned Operator maps a product of admissible component-section families to a prescribed family of time-dependent tangent sections on a Generative State Manifold.
We present a novel leverage score-based sampling strategy for the randomized alternating least squares optimization (ALS) of the canonical polyadic decomposition (CPD-ALS). Unlike previous strategies, we determine row-wise samples for the CPD-ALS problem from the leverage scores of the target tensor which is being decomposed. We demonstrate that, when rows are sampled according to the leverage score distribution of the matricized target tensor, each least squares subproblem of the CPD-ALS problem achieves $(1+\epsilon)-$relative accuracy in the residual norm with probability at least $1-\delta$ using a sampling $s=\frac{R\gamma}{\beta} \max\left(\frac{4}{\delta \epsilon}, \frac{144\ln(2R/\delta)}{\epsilon_{0}^{2}}\right)$, where $\epsilon_{0}$ is a constant, $\beta$ is leverage score's approximation constant, $R$ is the target rank and $\gamma$ captures the coherence between the Khatri Rao product (KRP) of the CPD factor matrices and the exact KRP; $\gamma$ decreases as the ALS iterates converge. To efficiently approximate the leverage score distribution for each matricization of the target tensor without explicitly computing leverage scores we use a randomized strong rank-revealing QR (sRRQR) factorizations, SE-QRCS. By construction, this QR-based leverage score sampling method outperforms previously published schemes as it does not, in principle, require the resampling of the target tensor or recomputing the leverage scores of the KRP, minimizing the computational and storage overhead of the CPD-ALS procedure.
Israa Fakih, Laura Grigori, Karl Pierce· arXiv.org· 1 citation
High-dimensional multi-way (tensor) data pose significant challenges for covariance estimation due to the curse of dimensionality. We introduce a unified framework for scalable estimation of tensor covariances based on a Kronecker-structured sparse inverse Cholesky (KSIC) projection. Our approach is grounded in the geometry of information projection, defining the estimator as the moment-matching projection of a target distribution onto a manifold characterized by sparse, Kronecker-factored inverse Cholesky factors. By leveraging physical or data-driven nearest-neighbor sparsity, KSIC provides a geometry-aware representation that is both statistically interpretable and computationally efficient. Our framework integrates two estimation regimes: a nonparametric estimator that projects the empirical covariance directly onto the manifold, utilizing the KSIC structure to implicitly regularize rank-deficient data; and a parametric estimator that fits generative covariance models (e.g., Mat\'ern) by maximizing the likelihood of their KSIC projections, formulated as a nested double forward Kullback-Leibler minimization. Theoretically, we establish the conditions for the existence of the KSIC projection and finite-sample concentration rates for the nonparametric regime, proving that the KSIC estimator gainfully exploits cross-mode information and is robust to data scarcity. Numerical experiments demonstrate that the proposed KSIC estimators achieve state-of-the-art accuracy and scalability, particularly in settings with high dimensionality and limited sample sizes. We apply KSIC to spatiotemporal temperature anomalies and functional MRI data, demonstrating its broad applicability across diverse multi-way data domains.
Wentao Zhan, Matthias Katzfuss· 0 citations
We use cookies to run the site and, with your consent, for analytics and to show ads.
See our Cookie Policy.
