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An approach to Fisher-Rao metric for infinite dimensional non-parametric information geometry

Cheng, Bing, Tong, Howell

arXiv.org Machine Learning

Being infinite dimensional, non-parametric information geometry has long faced an "intractability barrier" due to the fact that the Fisher-Rao metric is now a functional incurring difficulties in defining its inverse. This paper introduces a novel framework to resolve the intractability with an Orthogonal Decomposition of the Tangent Space ($T_fM = S \oplus S^{\perp}$), where $S$ represents an observable covariate subspace. Through the decomposition, we derive the Covariate Fisher Information Matrix (cFIM), denoted as ${\bf G}_f$, which is a finite-dimensional and computable representative of information extractable from the manifold's geometry. Significantly, by proving the Trace Theorem: $H_G(f) = \text{Tr}({\bf G}_f)$, we establish a rigorous foundation for the G-entropy previously introduced by us, thereby identifying it as a fundamental geometric invariant representing the total explainable statistical information captured by the probability distribution associated with a model. Furthermore, we establish a link between ${\bf G}_f$ and the second derivative (i.e. the curvature) of the KL-divergence, leading to the notion of Covariate Cramér-Rao Lower Bound(CRLB). We demonstrate that ${\bf G}_f$ is congruent to the Efficient Fisher Information Matrix, thereby providing fundamental limits of variance for semi-parametric estimators. Finally, we apply our geometric framework to the Manifold Hypothesis, lifting the latter from a heuristic assumption into a testable condition of rank-deficiency within the cFIM. By defining the Information Capture Ratio, we provide a rigorous method for estimating intrinsic dimensionality in high-dimensional data. In short, our work bridges the gap between abstract information geometry and the demand of explainable AI, by providing a tractable path for assessing the statistical coverage and the efficiency of non-parametric models.


Ineffectiveness for Search and Undecidability of PCSP Meta-Problems

Larrauri, Alberto

arXiv.org Artificial Intelligence

It is an open question whether the search and decision versions of promise CSPs are equivalent. Most known algorithms for PCSPs solve only their \emph{decision} variant, and it is unknown whether they can be adapted to solve \emph{search} as well. The main approaches, called BLP, AIP and BLP+AIP, handle a PCSP by finding a solution to a relaxation of some integer program. We prove that rounding those solutions to a proper search certificate can be as hard as any problem in the class TFNP. In other words, these algorithms are ineffective for search. Building on the algebraic approach to PCSPs, we find sufficient conditions that imply ineffectiveness for search. Our tools are tailored to algorithms that are characterized by minions in a suitable way, and can also be used to prove undecidability results for meta-problems. This way, we show that the families of templates solvable via BLP, AIP, and BLP+AIP are undecidable. Using the same techniques we also analyze several algebraic conditions that are known to guarantee the tractability of finite-template CSPs. We prove that several meta-problems related to cyclic polymorphims and WNUs are undecidable for PCSPs. In particular, there is no algorithm deciding whether a finite PCSP template (1) admits cyclic a polymorphism, (2) admits a WNU.


A Broader View on Clustering under Cluster-Aware Norm Objectives

Herold, Martin G., Kipouridis, Evangelos, Spoerhase, Joachim

arXiv.org Artificial Intelligence

We revisit the $(f,g)$-clustering problem that we introduced in a recent work [SODA'25], and which subsumes fundamental clustering problems such as $k$-Center, $k$-Median, Min-Sum of Radii, and Min-Load $k$-Clustering. This problem assigns each of the $k$ clusters a cost determined by the monotone, symmetric norm $f$ applied to the vector distances in the cluster, and aims at minimizing the norm $g$ applied to the vector of cluster costs. Previously, we focused on certain special cases for which we designed constant-factor approximation algorithms. Our bounds for more general settings left, however, large gaps to the known bounds for the basic problems they capture. In this work, we provide a clearer picture of the approximability of these more general settings. First, we design an $O(\log^2 n)$-approximation algorithm for $(f, L_{1})$-clustering for any $f$. This improves upon our previous $\widetilde{O}(\sqrt{n})$-approximation. Second, we provide an $O(k)$-approximation for the general $(f,g)$-clustering problem, which improves upon our previous $\widetilde{O}(\sqrt{kn})$-approximation algorithm and matches the best-known upper bound for Min-Load $k$-Clustering. We then design an approximation algorithm for $(f,g)$-clustering that interpolates, up to polylog factors, between the best known bounds for $k$-Center, $k$-Median, Min-Sum of Radii, Min-Load $k$-Clustering, (Top, $L_{1}$)-clustering, and $(L_{\infty},g)$-clustering based on a newly defined parameter of $f$ and $g$.


Generalization Bounds for Rank-sparse Neural Networks

Ledent, Antoine, Alves, Rodrigo, Lei, Yunwen

arXiv.org Artificial Intelligence

It has been recently observed in much of the literature that neural networks exhibit a bottleneck rank property: for larger depths, the activation and weights of neural networks trained with gradient-based methods tend to be of approximately low rank. In fact, the rank of the activations of each layer converges to a fixed value referred to as the ``bottleneck rank'', which is the minimum rank required to represent the training data. This perspective is in line with the observation that regularizing linear networks (without activations) with weight decay is equivalent to minimizing the Schatten $p$ quasi norm of the neural network. In this paper we investigate the implications of this phenomenon for generalization. More specifically, we prove generalization bounds for neural networks which exploit the approximate low rank structure of the weight matrices if present. The final results rely on the Schatten $p$ quasi norms of the weight matrices: for small $p$, the bounds exhibit a sample complexity $ \widetilde{O}(WrL^2)$ where $W$ and $L$ are the width and depth of the neural network respectively and where $r$ is the rank of the weight matrices. As $p$ increases, the bound behaves more like a norm-based bound instead.


Approximation rates of quantum neural networks for periodic functions via Jackson's inequality

Neufeld, Ariel, Schmocker, Philipp, Tran, Viet Khoa

arXiv.org Machine Learning

Quantum neural networks (QNNs) are an analog of classical neural networks in the world of quantum computing, which are represented by a unitary matrix with trainable parameters. Inspired by the universal approximation property of classical neural networks, ensuring that every continuous function can be arbitrarily well approximated uniformly on a compact set of a Euclidean space, some recent works have established analogous results for QNNs, ranging from single-qubit to multi-qubit QNNs, and even hybrid classical-quantum models. In this paper, we study the approximation capabilities of QNNs for periodic functions with respect to the supremum norm. We use the Jackson inequality to approximate a given function by implementing its approximating trigonometric polynomial via a suitable QNN. In particular, we see that by restricting to the class of periodic functions, one can achieve a quadratic reduction of the number of parameters, producing better approximation results than in the literature. Moreover, the smoother the function, the fewer parameters are needed to construct a QNN to approximate the function.


Incremental Generation is Necessity and Sufficient for Universality in Flow-Based Modelling

Rouhvarzi, Hossein, Kratsios, Anastasis

arXiv.org Machine Learning

Incremental flow-based denoising models have reshaped generative modelling, but their empirical advantage still lacks a rigorous approximation-theoretic foundation. We show that incremental generation is necessary and sufficient for universal flow-based generation on the largest natural class of self-maps of $[0,1]^d$ compatible with denoising pipelines, namely the orientation-preserving homeomorphisms of $[0,1]^d$. All our guarantees are uniform on the underlying maps and hence imply approximation both samplewise and in distribution. Using a new topological-dynamical argument, we first prove an impossibility theorem: the class of all single-step autonomous flows, independently of the architecture, width, depth, or Lipschitz activation of the underlying neural network, is meagre and therefore not universal in the space of orientation-preserving homeomorphisms of $[0,1]^d$. By exploiting algebraic properties of autonomous flows, we conversely show that every orientation-preserving Lipschitz homeomorphism on $[0,1]^d$ can be approximated at rate $\mathcal{O}(n^{-1/d})$ by a composition of at most $K_d$ such flows, where $K_d$ depends only on the dimension. Under additional smoothness assumptions, the approximation rate can be made dimension-free, and $K_d$ can be chosen uniformly over the class being approximated. Finally, by linearly lifting the domain into one higher dimension, we obtain structured universal approximation results for continuous functions and for probability measures on $[0,1]^d$, the latter realized as pushforwards of empirical measures with vanishing $1$-Wasserstein error.


On the Optimal Construction of Unbiased Gradient Estimators for Zeroth-Order Optimization

Ma, Shaocong, Huang, Heng

arXiv.org Artificial Intelligence

Zeroth-order optimization (ZOO) is an important framework for stochastic optimization when gradients are unavailable or expensive to compute. A potential limitation of existing ZOO methods is the bias inherent in most gradient estimators unless the perturbation stepsize vanishes. In this paper, we overcome this biasedness issue by proposing a novel family of unbiased gradient estimators based solely on function evaluations. By reformulating directional derivatives as a telescoping series and sampling from carefully designed distributions, we construct estimators that eliminate bias while maintaining favorable variance. We analyze their theoretical properties, derive optimal scaling distributions and perturbation stepsizes of four specific constructions, and prove that SGD using the proposed estimators achieves optimal complexity for smooth non-convex objectives. Experiments on synthetic tasks and language model fine-tuning confirm the superior accuracy and convergence of our approach compared to standard methods.


Enforcing convex constraints in Graph Neural Networks

Rashwan, Ahmed, Briggs, Keith, Budd, Chris, Kreusser, Lisa

arXiv.org Artificial Intelligence

Many machine learning applications require outputs that satisfy complex, dynamic constraints. This task is particularly challenging in Graph Neural Network models due to the variable output sizes of graph-structured data. In this paper, we introduce ProjNet, a Graph Neural Network framework which satisfies input-dependant constraints. ProjNet combines a sparse vector clipping method with the Component-Averaged Dykstra (CAD) algorithm, an iterative scheme for solving the best-approximation problem. We establish a convergence result for CAD and develop a GPU-accelerated implementation capable of handling large-scale inputs efficiently. To enable end-to-end training, we introduce a surrogate gradient for CAD that is both computationally efficient and better suited for optimization than the exact gradient. We validate ProjNet on four classes of constrained optimisation problems: linear programming, two classes of non-convex quadratic programs, and radio transmit power optimization, demonstrating its effectiveness across diverse problem settings.


Rethinking Consistent Multi-Label Classification under Inexact Supervision

Wang, Wei, Ma, Tianhao, Xie, Ming-Kun, Niu, Gang, Sugiyama, Masashi

arXiv.org Artificial Intelligence

Partial multi-label learning and complementary multi-label learning are two popular weakly supervised multi-label classification paradigms that aim to alleviate the high annotation costs of collecting precisely annotated multi-label data. In partial multi-label learning, each instance is annotated with a candidate label set, among which only some labels are relevant; in complementary multi-label learning, each instance is annotated with complementary labels indicating the classes to which the instance does not belong. Existing consistent approaches for the two paradigms either require accurate estimation of the generation process of candidate or complementary labels or assume a uniform distribution to eliminate the estimation problem. However, both conditions are usually difficult to satisfy in real-world scenarios. In this paper, we propose consistent approaches that do not rely on the aforementioned conditions to handle both problems in a unified way. Specifically, we propose two unbiased risk estimators based on first- and second-order strategies. Theoretically, we prove consistency w.r.t. two widely used multi-label classification evaluation metrics and derive convergence rates for the estimation errors of the proposed risk estimators. Empirically, extensive experimental results validate the effectiveness of our proposed approaches against state-of-the-art methods.


Exponential Family Variational Flow Matching for Tabular Data Generation

Guzmán-Cordero, Andrés, Eijkelboom, Floor, van de Meent, Jan-Willem

arXiv.org Artificial Intelligence

While denoising diffusion and flow matching have driven major advances in generative modeling, their application to tabular data remains limited, despite its ubiquity in real-world applications. To this end, we develop TabbyFlow, a variational Flow Matching (VFM) method for tabular data generation. To apply VFM to data with mixed continuous and discrete features, we introduce Exponential Family Variational Flow Matching (EF-VFM), which represents heterogeneous data types using a general exponential family distribution. We hereby obtain an efficient, data-driven objective based on moment matching, enabling principled learning of probability paths over mixed continuous and discrete variables. We also establish a connection between variational flow matching and generalized flow matching objectives based on Bregman divergences. Evaluation on tabular data benchmarks demonstrates state-of-the-art performance compared to baselines.