Selecting a finite dictionary of observables whose span is Koopman-invariant is a central challenge in data-driven Koopman operator approximation. We address this problem by exploiting zero-block structure in Extended Dynamic Mode Decomposition (EDMD) matrices. We show that any sub-dictionary whose span is Koopman-invariant induces an exact zero block in the EDMD matrix, even for finite data. We then show that such blocks can be detected by applying PageRank to a row-normalized EDMD matrix constructed from a large initial dictionary. The theory extends to approximately invariant subspaces and yields stronger guarantees for personalized PageRank (PPR) when the seed observables lie inside the target block and reach all observables in that block. Combining EDMD concentration bounds with PageRank perturbation theory gives end-to-end detection guarantees with $O(1/\sqrt{M})$ finite-sample scaling and explicit constants. More generally, without assuming an invariant subspace exists, high PPR mass on a sub-dictionary controls discounted multi-step leakage from the seed observables. Numerical experiments on the Duffing oscillator, Van der Pol oscillator, Lorenz system, and a three-well Ramachandran potential suggest that the method identifies compact, interpretable dictionaries with accurate predictions.

In this section we briefly introduce the representation theory of the three groups we used in this work. Planar rotations group SO(2) The standard representation of r 2 SO(2) is as a 2 2 rotation matrix (r)= cos sin sin cos The complex irreducible representations are often used and correspond to the circular harmonics. Planar rotations and reflections group O(2) The standard representation of O(2) is as a 2 2 orthogonal matrix (r)= cos sin sin cos and (r f)= cos sin sin cos 10 01 Apart from the trivial representation 0,0(h)=1 8h 2 O(2) and the sign-flip representation 1,0(r)=1 and 1,0(f)= 1, all other irreps are 2 dimensional. These representations are isomorphic to the Wigner D matrices. In particular, 0 is the trivial representation and i is isomorphic to the standard representation of SO(3) as 3 3 rotation matrices. An element g =( m,r) 2 O(3) is a pair of a mirroring m 2{ e,mz} and a rotation r 2 SO(3). In general, if G is a group, we denote with bG the set of its irreducible representations. Recall the generative process for cryo-EM images: oi = (g 1i) with gi 2 SO(3) (12) 14 Let Rz = SO(2) < SO(3) the subgroup of SO(3) containing rotations around the Z axis and H = O(2) < SO(3) the subgroup containing also the rotation ry by around the Y axis.

Quantum principal component analysis (qPCA) is commonly formulated as the extraction of eigenvalues and eigenvectors of a covariance-encoded density operator. Yet in many qPCA settings, the practical objective is simpler: projecting data onto the dominant spectral subspace. In this work, we introduce a projection-first framework, the Filtered Spectral Projection Algorithm (FSPA), which bypasses explicit eigenvalue estimation while preserving the essential spectral structure. FSPA amplifies any nonzero warm-start overlap with the leading principal subspace and remains robust in small-gap and near-degenerate regimes without inducing artificial symmetry breaking in the absence of bias. To connect this approach to classical datasets, we show that for amplitude-encoded centered data, the ensemble density matrix $ρ=\sum_i p_i|ψ_i\rangle\langleψ_i|$ coincides with the covariance matrix. For uncentered data, $ρ$ corresponds to PCA without centering, and we derive eigenvalue interlacing bounds quantifying the deviation from standard PCA. We further show that ensembles of quantum states admit an equivalent centered covariance interpretation. Numerical demonstrations on benchmark datasets, including Breast Cancer Wisconsin and handwritten Digits, show that downstream performance remains stable whenever projection quality is preserved. These results suggest that, in a broad class of qPCA settings, spectral projection is the essential primitive, and explicit eigenvalue estimation is often unnecessary.

Approximating invariant subspaces of generalized eigenvalue problems (GEPs) is a fundamental computational problem at the core of machine learning and scientific computing. It is, for example, the root of Principal Component Analysis (PCA) for dimensionality reduction, data visualization, and noise filtering, and of Density Functional Theory (DFT), arguably the most popular method to calculate the electronic structure of materials. Given Hermitian $H,S\in\mathbb{C}^{n\times n}$, where $S$ is positive-definite, let $\Pi_k$ be the true spectral projector on the invariant subspace that is associated with the $k$ smallest (or largest) eigenvalues of the GEP $HC=SC\Lambda$, for some $k\in[n]$.

Solving large-scale sparse linear systems is essential in fields like mathematics, science, and engineering.

Fundamental limits to predictability are central to our understanding of many physical and computational systems. Here we show that, despite its remarkable capabilities, deep learning exhibits such fundamental limits rooted in the fractal, riddled geometry of its basins of attraction: any initialization that leads to one solution lies arbitrarily close to another that leads to a different one. We derive sufficient conditions for the emergence of riddled basins by analytically linking features widely observed in deep learning, including chaotic learning dynamics and symmetry-induced invariant subspaces, to reveal a general route to riddling in realistic deep networks. The resulting basins of attraction possess an infinitely fine-scale fractal structure characterized by an uncertainty exponent near zero, so that even large increases in the precision of initial conditions yield only marginal gains in outcome predictability. Riddling thus imposes a fundamental limit on the predictability and hence reproducibility of neural network training, providing a unified account of many empirical observations. These results reveal a general organizing principle of deep learning with important implications for optimization and the safe deployment of artificial intelligence.