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A Barrier-Metric First-Order Method for Linearly Constrained Bilevel Optimization

arXiv.org Machine Learning

We study bilevel optimization with a fixed polyhedral lower feasible set. Such problems are challenging for two reasons: active-set changes can make the upper objective nonsmooth, and existing hypergradient methods typically require lower-Hessian inversions or equivalent linear solves, which are computationally expensive. To address these issues, we adopt a logarithmic barrier smoothing of the lower problem to obtain a differentiable approximation of the constrained bilevel objective, and develop a proxy-gradient algorithm for the resulting barrier-smoothed surrogate. The algorithm uses only gradients of the upper and lower objectives; its only second-order object is the explicit logarithmic barrier Hessian determined by the fixed polyhedral constraints. Barrier smoothing restores differentiability, but Euclidean smoothness constants are not uniformly bounded near the boundary. We therefore develop a local Dikin-geometry analysis in which the barrier-metric provides an oracle-free curvature scale near the moving lower centers. This leads to barrier-aware schedules that keep the iterates inside locally well-behaved regions. For the barrier-smoothed objective, we prove stationarity rates of $\widetilde{O}(K^{-2/3})$ in the deterministic setting and $\widetilde{O}(K^{-2/5})$ under upper-level-only bounded stochastic noise after $K$ outer iterations, together with quantitative bias control as the barrier parameter decreases.


Convexity in Disguise: A Theoretical Framework for Nonconvex Low-Rank Matrix Estimation

arXiv.org Machine Learning

Nonconvex methods have emerged as a dominant approach for low-rank matrix estimation, a problem that arises widely in machine learning and AI for learning and representing high-dimensional data. Existing analyses for these methods often require additional regularization to mitigate nonconvexity, even though such regularization is often unnecessary in practice. Moreover, most analyses rely on problem-specific arguments that are difficult to generalize to more complex settings. In this paper, we develop a theoretical framework for studying nonconvex procedures across a broad class of low-rank matrix estimation problems. Rather than focusing on a specific model, we reveal a fundamental mechanism that explains why nonconvex procedures can behave well in low-rank estimation. Our key device is a {\it benign regularizer} that does not alter the original update rule, but yields an equivalent locally strongly convex formulation of the algorithm. This perspective uncovers a disguised convexity inherent in the nonconvex procedure and provides a new route to theoretical guarantees for nonconvex low-rank matrix estimation.


Provable and scalable quantum Gaussian processes for quantum learning

arXiv.org Machine Learning

Despite rapid recent advances in quantum machine learning, the field is in many ways stuck. Existing approaches can exhibit serious limitations, and we still lack learning frameworks that are simple, interpretable, scalable, and naturally suited to quantum data. To address this, here we introduce quantum Gaussian processes, a Bayesian framework for learning from quantum systems through priors over unknown quantum transformations. We show that, under suitable conditions, unitary quantum stochastic processes define Gaussian processes, thereby enabling regression, classification, and Bayesian optimization directly on quantum data. The key ingredient in this framework is sufficient knowledge of a quantum process's structure and symmetries to define an informative prior through its corresponding quantum kernel, effectively injecting a strong, physics-informed inductive bias into the learning model. We then prove that matchgate, or free-fermionic, evolutions give rise to provable and scalable quantum Gaussian processes, providing the first family in our framework where the unknown unitary acts non-trivially on all qubits. Finally, we demonstrate accurate long-range extrapolation, phase-diagram learning in many-body systems, and sample-efficient Bayesian optimization in a quantum sensing task. Our results identify quantum Gaussian processes as a promising route toward simpler and more structured forms of quantum learning.



Rank, Head-Channel Non-Identifiability, and Symmetry Breaking: A Precise Analysis of Representational Collapse in Transformers

arXiv.org Machine Learning

A widely cited result by Dong et al. (2021) showed that Transformers built from self-attention alone, without skip connections or feed-forward layers, suffer from rapid rank collapse: all token representations converge to a single direction. The proposed remedy was the MLP. We show that this picture, while correct in the regime studied by Dong, is incomplete in ways that matter for architectural understanding. Three results are established. First, layer normalisation is precisely affine-rank-neutral: it preserves the affine rank of the token representation set exactly. The widespread claim that LN "plays no role" is imprecise; the correct statement is sharper. Second, residual connections generically obstruct rank collapse in real Transformers such as BERT-base, in a measure-theoretic sense, without contribution from the MLP. The MLP's irreplaceable function is different: generating feature directions outside the linear span of the original token embeddings, which no stack of attention layers can produce. Third, a phenomenon distinct from rank collapse is identified: head-channel non-identifiability. After multi-head attention sums per-head outputs through the output projection, individual contributions cannot be canonically attributed to a specific head; n(H-1)d_k degrees of freedom per layer remain ambiguous when recovering a single head from the mixed signal. The MLP cannot remedy this because it acts on the post-summation signal. A constructive partial remedy is proposed: a position-gated output projection (PG-OP) at parameter overhead below 1.6% of the standard output projection. The four collapse phenomena identified in the literature -- rank collapse in depth, in width, head-channel non-identifiability, and entropy collapse -- are unified under a symmetry-breaking framework, each corresponding to a distinct symmetry of the Transformer's forward pass.



Contraction and Hourglass Persistence for Learning on Graphs, Simplices, and Cells

arXiv.org Machine Learning

Persistent homology (PH) encodes global information, such as cycles, and is thus increasingly integrated into graph neural networks (GNNs). PH methods in GNNs typically traverse an increasing sequence of subgraphs. In this work, we first expose limitations of this inclusion procedure. To remedy these shortcomings, we analyze contractions as a principled topological operation, in particular, for graph representation learning. We study the persistence of contraction sequences, which we call Contraction Homology (CH). We establish that forward PH and CH differ in expressivity. We then introduce Hourglass Persistence, a class of topological descriptors that interleave a sequence of inclusions and contractions to boost expressivity, learnability, and stability. We also study related families parametrized by two paradigms. We also discuss how our framework extends to simplicial and cellular networks. We further design efficient algorithms that are pluggable into end-to-end differentiable GNN pipelines, enabling consistent empirical improvements over many PH methods across standard real-world graph datasets. Code is available at \href{https://github.com/Aalto-QuML/Hourglass}{this https URL}.