Deep representation learning has primarily focused on how features evolve across network layers, while largely overlooking the structured geometry embedded in network parameters. We introduce a dual-manifold perspective in which each convolutional layer contains two coupled geometric spaces: a Kernel Manifold induced by convolutional filters and a Data Manifold characterized by intermediate feature representations. Because these manifolds share the same channel space, parameter geometry can provide complementary structural information to guide feature evolution. Based on this insight, we propose Kernel-Guided Feature Transform (KGFT), a lightweight module that derives a geometric guidance matrix from the kernel Gram matrix and uses it to transform the covariance structure of feature representations. Unlike conventional attention mechanisms that reweight feature responses, KGFT explicitly reshapes feature relationships by transferring geometric information from the kernel manifold to the data manifold. To accommodate network hierarchy, we further introduce Exploit and Explore modes with a depth-aware scheduling strategy and a learnable guidance strength that adaptively controls the contribution of geometric transformation. This design promotes geometric alignment in shallow layers while encouraging feature diversity in deeper layers, without imposing excessive constraints on representation learning. Theoretical analysis establishes the validity of the proposed transformation and characterizes its effect on feature covariance. Extensive experiments across CNN- and Transformer-based architectures, including ResNet, ViT, and LLaMA-7B, demonstrate consistent improvements on image classification and arithmetic reasoning tasks, validating the generality and effectiveness of kernel-guided dual-manifold representation learning. Code will be publicly available.
While Vision Transformers have achieved remarkable success across computer vision and language applications, the geometric evolution of their internal representations throughout training remains insufficiently understood. Existing analyses primarily focus on attention mechanisms and downstream performance, leaving the evolution of representation geometry largely unexplored. In this work, we present Transformer Geometry Observatory-II (TGO-II), a representation geometry analysis framework designed to investigate how Transformer representations evolve during supervised training. TGO-II analyzes Vision Transformer (ViT-Small/16) representations using Centered Kernel Alignment (CKA), Singular Vector Canonical Correlation Analysis (SVCCA), Two-Nearest Neighbor Intrinsic Dimensionality (TwoNN-ID), and token covariance analysis. Our experiments reveal three key observations. First, both CKA and SVCCA progressively decrease throughout training, indicating increasing representational specialization across Transformer layers. Second, intrinsic dimensionality consistently increases before stabilizing, suggesting progressive expansion of the representation manifold into a larger set of locally accessible degrees of freedom. Third, token covariance and coupling analyses demonstrate that strong token interaction structure persists throughout training, challenging the hypothesis that increasing representational complexity arises primarily from progressive token independence. These findings suggest that representation complexity and layer specialization emerge simultaneously during training. Manifold expansion appears to occur without token decoupling. Together, these observations motivate a new hypothesis in which Vision Transformers increase representational complexity through progressively richer transformations while preserving strong token interaction structure during learning.
Diffusion geometry is a manifold learning framework that uses random walks defined by Markov transition matrices to characterize the geometry of a dataset at multiple scales. We use diffusion geometry for neural representations, incorporating tools from multi-view learning into this field for the first time. Our key technical observation is that a broad class of similarity measures based on representational similarity matrices (RSMs) admits a closed-form equivalent formulation in terms of row-stochastic Markov matrices, opening the door to manipulations from diffusion geometry. As a first application, we develop multi-scale variants of Centered Kernel Alignment and Distance Correlation, which utilise the tth power of the underlying transition matrix to probe the data geometry at adjustable diffusion scales. Going further, we introduce variants of these measures which fuse the Markov matrices of several layers via alternating diffusion into a single operator that captures the network's joint sample geometry, allowing similarity to be computed across multiple layers and shifting the comparison from layer-to-layer to network-to-network. We perform extensive numerical experiments, evaluating our measures on the Representational Similarity (ReSi) benchmark comprising 14 architectures trained on 7 datasets across three different domains. Our methods achieve SoTA results in accuracy and output correlation for both language and vision tasks across different models. We furthermore show SoTA performance on an additional benchmark evaluating on out-of-distribution data.
Deep neural networks on manifold-valued representations have attracted growing interest, but many basic components remain tied to specific manifolds, rely on Euclidean approximations, or require costly and numerically fragile geometric operations. This thesis develops a unified framework for Riemannian deep learning from three complementary perspectives: reusable neural modules, manifold-specific network architectures, and the design of underlying geometries. It generalizes batch normalization from Euclidean spaces and individual manifolds to broad classes of Lie groups and gyrogroups, and extends multinomial logistic regression from Euclidean space to SPD manifolds and then to general Riemannian manifolds. It further develops neural networks for several important geometric representations, including an unconstrained model of hyperbolic space, Busemann-based hyperbolic learning, and full-rank correlation matrices. Finally, it introduces adaptive and computationally efficient Riemannian metrics on SPD manifolds, including learnable Log-Euclidean geometries and fast, stable Cholesky-based geometries. The proposed methods are supported by theoretical analysis and validated through numerical experiments and applications in vision, signal processing, graph learning, and genomics.