Geometric Representation Learning

Graph foundation models (GFMs), pretrained on massive graph data, have transformed graph machine learning by supporting general-purpose reasoning across diverse graph tasks and domains. Existing GFMs pretrained with fixed-hop subgraph sampling impose a fixed receptive field, causing scale mismatch on diverse tasks, which often require heterogeneous and unknown structural contexts beyond a fixed sampling scale. We propose R-GFM, a Riemannian Graph-of-Graphs (GoG) based foundation model, that treats structural scale as a first-class citizen in modeling. R-GFM constructs a multi-scale GoG over-sampled subgraphs at different hop distances and learns geometry-adaptive representations from Riemannian manifolds. Theoretical analysis shows that R-GFM reduces structural domain generalization error compared to fixed-scale GFMs. Experiments on various datasets demonstrate that R-GFM achieves state-of-the-art performance, with up to a 49% relative improvement on downstream tasks. Our code is available at https://github.com/USTC-DataDarknessLab/R-GFM.

Deep generative models provide flexible frameworks for modeling complex, structured data such as images, videos, 3D objects, and texts. However, when applied to sequences of human skeletons, standard variational autoencoders (VAEs) often allocate substantial capacity to nuisance factors-such as camera orientation, subject scale, viewpoint, and execution speed-rather than the intrinsic geometry of shapes and their motion. We propose the Elastic Shape - Variational Autoencoder (ES-VAE), a geometry-aware generative model for skeletal trajectories that leverages the transported square-root velocity field (TSRVF) representation on Kendall's shape manifold. This representation inherently removes rigid translations, rotations, and global scaling of shapes, and temporal rate variability of sequences, isolating the underlying shape dynamics. The ES-VAE encoder maps skeletal sequences to a low-dimensional latent space incorporating the Riemannian logarithm map, while the decoder reconstructs sequences using the corresponding exponential map. We demonstrate the effectiveness of ES-VAE on two datasets. First, we analyze skeletal gait cycles to predict clinical mobility scores and classify subjects into healthy and post-stroke groups. Second, we evaluate action recognition on the NTU RGB+D dataset. Across both settings, ES-VAE consistently outperforms standard VAEs and a range of sequence modeling baselines, including temporal convolutional networks, transformers, and graph convolutional networks. More broadly, ES-VAE provides a principled framework for learning generative models of longitudinal data on pose shape manifolds, offering improved latent representation and downstream performance compared to existing deep learning approaches.

Graph foundation models (GFMs) seek transferable representations across graph domains but are limited by structural heterogeneity and incompatible node feature spaces. We propose Structure-Centric Graph Foundation Models (SCGFM), which treat graph topology as the primary source of transferable knowledge. Modeling graphs as metric measure spaces, SCGFM introduces learnable geometric bases that define a shared structural coordinate system. Graphs are aligned to these bases via Gromov-Wasserstein distances, yielding structure-aligned latent representations that accommodate heterogeneous graph topologies. To address feature incompatibility, SCGFM employs a structure-aware feature re-encoding mechanism that unifies node representations without assuming a fixed feature dimensionality or requiring dataset-specific preprocessing. Experiments on graph- and node-level tasks demonstrate strong in-domain and cross-domain generalization, outperforming existing GFM approaches.

Parameter-efficient adaptation of pretrained vision models is commonly performed through linear probes, prompts, low-rank updates, or lightweight residual modules. While effective, these methods usually treat adaptation as a discrete Euclidean perturbation of frozen representations, without explicitly modeling the geometry of the task-induced feature displacement. We propose \textsc{MC-RFM}, a mixed-curvature Riemannian flow-matching framework for few-shot adaptation of frozen visual backbones. The key idea is to represent adapted features on a product manifold combining a hyperbolic factor, which captures hierarchy-sensitive semantic structure, and a Euclidean factor, which preserves locally discriminative visual variation. Adaptation is formulated as a task-conditioned continuous transport from frozen features to support-set prototypes, trained with a flow-matching objective and coupled to a hybrid prototype-linear classifier. The method is lightweight, backbone-agnostic, and operates entirely on cached frozen features. Across seven visual recognition benchmarks, five frozen backbones, and 1/4/16-shot regimes, \textsc{MC-RFM} is the best-performing method in a majority of evaluated settings, with the strongest gains on Transformer backbones and fine-grained datasets. Ablations show that the mixed-curvature head, task conditioning, adaptive branch gating, prototype shrinkage, and discriminative supervision each contribute to performance. These results suggest that few-shot adaptation benefits not only from deciding which parameters to update, but also from modeling how representations should move through a geometry matched to the structure of the downstream task.

In this work, we introduce GELATO (Geometry-preserving Embeddings via Locked Aligned TOwers), a novel approach to multimodal embedding models. We build on the VLM-style architecture, in which non-text encoders are adapted to produce input for a language model, which in turn generates embeddings for all varieties of input. We present the result: the jina-embeddings-v5-omni suite, a pair of models that encode text, image, audio, and video input into a single semantic embedding space. GELATO extends the two Jina Embeddings v5 Text models to support additional modality by adding encoders for images and audio. The backbone text embedding models and the added non-text modality encoders remain frozen. We only trained the connecting components, representing 0.35% of the total weights of the joint model. Training is therefore much more efficient than full-parameter retraining. Additionally, the language model remains effectively unaltered, producing exactly the same embeddings for text inputs as the Jina Embeddings v5 Text models. Our evaluations show that GELATO produces results that are competitive with the state-of-the-art, yielding nearly equal performance to larger multimodal embedding models.

Geometric representation-conditioned molecule generation provides an effective paradigm that decouples molecule representation modeling from structure generation. By decoupling molecule generation into two stages-first generating a meaningful molecule representation, and then generating a 3D molecule conditioned on this representation-the efficiency and quality of the generation process can be significantly enhanced. However, its effectiveness is fundamentally limited by the quality of the representation space: pretrained molecular encoders, such as UniMol, produce representations that are non-smooth and not fully exploited during the generative training process. In this work, we propose LENSEs, a framework that better exploits the potential of molecule representations in representation-conditioned generation methods. In particular, LENSEs introduces three complementary mechanisms: (1) a representation head, simultaneously trained during generative tasks, that extracts multi-level representations from the pretrained encoder; (2) a molecule perceptual loss that optimizes the generator in a semantic-informative representation space; and (3) a node-level representation alignment (REPA) loss that explicitly aligns the generator's hidden states with encoder representations, reducing the semantic gap between pretraining and generation. We demonstrate the effectiveness of these improvements through extensive molecule generation tasks. Specifically, on the challenging molecule generation dataset GEOM-DRUG, LENSEs achieves 97.28% validity and 98.51% molecule stability, surpassing existing advanced methods. Further analyses through Lipschitz constant reduction (4.6x) and QM9 probing tasks also demonstrate the smoother, more informative refined representations, establishing generative training with alignment objectives as a potential pretraining paradigm for molecular encoders.

Building on the abstract Generalized Singular Value Decomposition (GSVD) theory of Brown et al. [2025], we prove that most modern neural architectures admit a generalized SVD representation in which they are left-invertible before a final linear layer, with no change in input-output behavior. Furthermore, the left-invertible nonlinear portion of the input-output behavior can be made to be \emph{norm preserving}, meaning that perturbations in the left-invertible ``embedding'' (the activations prior to the final linear layer in this representation) correspond proportionally to changes in the input, i.e., distance in feature space can be calibrated directly to distance in input space. We provide a data-driven algorithm for estimating this representation from trained models and propose a model architecture that naturally facilitates the decomposition. We then provide a proof-of-concept that the learned representation can be used to identify adversarial perturbations to model inputs, and develop the theory necessary for future applications to areas such as model bias and invertibility.

Modern deep learning architectures increasingly contend with sophisticated signals that are natively infinite-dimensional, such as time series, probability distributions, or operators, and are defined over irregular domains. Yet, a unified learning theory for these settings has been lacking. To start addressing this gap, we introduce a novel convolutional learning framework for possibly infinite-dimensional signals supported on a manifold. Namely, we use the connection Laplacian associated with a Hilbert bundle as a convolutional operator, and we derive filters and neural networks, dubbed as \textit{HilbNets}. We make HilbNets and, more generally, the convolution operation, implementable via a two-stage sampling procedure. First, we show that sampling the manifold induces a Hilbert Cellular Sheaf, a generalized graph structure with Hilbert feature spaces and edge-wise coupling rules, and we prove that its sheaf Laplacian converges in probability to the underlying connection Laplacian as the sampling density increases. Notably, this result is a generalization to the infinite-dimensional bundle setting of the Belkin & Niyogi \cite{BELKIN20081289} convergence result for the graph Laplacian to the manifold Laplacian, a theoretical cornerstone of geometric learning methods. Second, we discretize the signals and prove that the discretized (implementable) HilbNets converge to the underlying continuous architectures and are transferable across different samplings of the same bundle, providing consistency for learning. Finally, we validate our framework on synthetic and real-world tasks. Overall, our results broaden the scope of geometric learning as a whole by lifting classical Laplacian-based frameworks to settings where the signal at each point lives in its own Hilbert space.

The Weisfeiler--Lehman (WL) test and its simplicial extension (SWL) characterize the combinatorial expressivity of message passing networks, but they are blind to geometry, i.e., meshes with identical connectivity but different embeddings are indistinguishable. We introduce the Geometric Simplicial Weisfeiler--Lehman (GSWL) test, which incorporates vertex coordinates into color refinement for geometric simplicial complexes. In addition, we show that (i) the expressivity of geometry-aware simplicial message passing schemes is bounded above by GSWL, and (ii) that there exist parameters such that the discriminating power of GSWL is matched by these schemes on any fixed finite family of geometric simplicial complexes. Combined with the Euler Characteristic Transform (ECT), a complete invariant for geometric simplicial complexes, this yields a geometric expressivity characterization together with an approximation framework. Experiments on synthetic and mesh datasets serve to validate our theory, showing a clear hierarchy from combinatorial to geometry-aware models.

Weight matrices in deep networks exhibit geometric continuity -- principal singular vectors of adjacent layers point in similar directions. While this property has been widely observed, its origin remains unexplained. Through experiments on toy MLPs and small transformers, we identify two mechanisms: residual connections create cross-layer gradient coherence that aligns weight updates across layers, and symmetry-breaking nonlinearities constrain all layers to a shared coordinate frame, preventing the rotation drift that would otherwise destabilize weight structure. Crucially, a nonlinear but rotation-preserving activation fails to retain continuity, isolating symmetry breaking -- not nonlinearity itself -- as the active ingredient. Activation and normalization play distinct roles: activation concentrates continuity in the leading singular direction, while normalization distributes it across multiple directions. In transformers, continuity is projection-specific: Q, K, Gate, and Up (which read from the residual stream) develop input-space ($\mathbf{v}_1$) continuity; O and Down (which write to it) develop output-space ($\mathbf{u}_1$) continuity; V alone, lacking an adjacent nonlinearity, develops only low continuity.

Geometry is central to PDE-governed systems, motivating shape optimization and inversion. Classical pipelines conduct costly forward simulation with geometry processing, requiring substantial expert effort. Neural surrogates accelerate forward analysis but do not close the loop because gradients from objectives to geometry are often unavailable. Existing differentiable methods either rely on restrictive parameterizations or unstable latent optimization driven by scalar objectives, limiting interpretability and part-wise control. To address these challenges, we propose Geometry-Aware Neural Optimizer (\textbf{\textsc{GANO}}), an end-to-end differentiable framework that unifies geometry representation, field-level prediction, and automated optimization/inversion in a single latent-space loop. \textsc{GANO} encodes shapes with an auto-decoder and stabilizes latent updates via a denoising mechanism, and a geometry-informed surrogate provides a reliable gradient pathway for geometry updates. Moreover, \textsc{GANO} supports part-wise control through null-space projection and uses remeshing-free projection to accelerate geometry processing. We further prove that denoising induces an implicit Jacobian regularization that reduces decoder sensitivity, yielding controlled deformations. Experiments on three benchmarks spanning 2D Helmholtz, 2D airfoil, and 3D vehicles show state-of-the-art accuracy and stable, controllable updates, achieving up to +55.9% lift-to-drag improvement for airfoils and ~7% drag reduction for vehicles.

The integration of Symmetric Positive Definite (SPD) matrices into deep learning has historically relied on fixed algebraic Riemannian metrics. Analogous to hand-crafted features in classical machine learning, these static formulations impose rigid geometries limiting network expressivity and adaptability. Recent attempts to parameterize these geometries often violate the axioms of primary matrix functions through unconstrained powers or rank-dependent scaling, inviting spatial folding, loss of global surjectivity, and gradient collapse at spectral singularities. In this paper, we introduce the Spline-Pullback Metric (SPM), instantiated as Spectral-SPM and Cholesky-SPM, marking a paradigm shift from static metric selection to universal geometric approximation. By parameterizing the global diffeomorphism via a rank-invariant, monotonically constrained B-spline, SPM acts as a dense universal approximator for strictly increasing $C^1$ diffeomorphisms and theoretically subsumes existing pullback metrics while enabling localized non-linear spectral modelling. Topologically, SPM provides a globally bijective pullback geometry precluding rank-swapping discontinuities and gradient instabilities. Empirically, SPM achieves a state-of-the-art performance across 3 datasets utilizing Linear Probes, SPDNets, and deep Riemannian ResNets.

Accurate boundary detection in high-dimensional data remains a central challenge in unsupervised learning, particularly in the presence of non-linear structures and heterogeneous densities. In this work, we introduce Mean Curvature Boundary Points (MCBP), a novel geometric framework grounded in Geometric Machine Learning that departs from traditional density-based approaches by explicitly modeling the intrinsic curvature of the data manifold. The method relies on a discrete approximation of the shape operator, estimated from local k-nearest neighbor patches, to compute pointwise mean curvature without requiring explicit manifold parametrization. The key insight of MCBP is to use mean curvature as a principled descriptor of boundary structure: high-curvature regions naturally correspond to transitions between clusters, geometric irregularities, and low-density interfaces. This yields a unified geometric interpretation of boundary, outlier, and transition points. We further introduce an adaptive percentile-based thresholding scheme that enables multiscale boundary extraction without relying on ad hoc density parameters. Beyond detection, we propose a curvature-driven data decomposition that separates samples into smooth (low-curvature) and boundary (high-curvature) subsets, effectively acting as a non-linear geometric filtering mechanism. This representation enhances cluster separability and improves the robustness of downstream unsupervised algorithms. Extensive experiments on synthetic and real-world datasets demonstrate that MCBP consistently improves clustering performance, particularly in complex and high-dimensional scenarios. These results position MCBP as a concrete contribution to Geometric Machine Learning, highlighting the potential of curvature-aware analysis as a unifying paradigm bridging differential geometry and data-driven modeling.

Brain MRI foundation models learn rich representations of anatomy, but interpreting what clinical information they encode remains an open problem. Standard sparse autoencoders (SAEs) suffer from severe feature collapse in deep transformer layers, and in Alzheimer's disease (AD) research, aging confounds nearly every clinical variable, making naive annotation unreliable. We propose GeoSAE, a geometry-guided SAE framework that uses the foundation model's learned manifold structure to prevent feature collapse and annotates each surviving feature via age-deconfounded partial correlations. Applied to ~14k T1-weighted MRI scans from the Alzheimer's Disease Neuroimaging Initiative (ADNI) and the Australian Imaging biomarkers and Lifestyle (AIBL) datasets, GeoSAE identifies a compact, fully interpretable feature set that predicts mild cognitive impairment (MCI)-to-AD conversion (AUC 0.746) using only 2% of the embedding dimensions, while comorbidity-annotated features achieve only chance-level performance. The identified features replicate across cohorts without retraining (r=0.97) and localize to neuroanatomically distinct regions consistent with Braak staging. This shows that geometry-guided SAEs can extract interpretable, biomarkers from frozen brain MRI foundation models.

A central challenge in computational catalysis is the identification of low-energy and chemically plausible adsorption configurations, as these directly affect adsorption energies, reaction pathways, and catalytic performance. Existing approaches generally rely on enumerating candidate adsorption sites followed by iterative refinement through density functional theory calculations or machine-learning-based relaxations. However, such workflows remain computationally expensive and are difficult to scale to complex surfaces or multi-adsorbate systems. Here, we introduce Meta-LegNet, a graph learning framework that combines SE(3)-equivariant atom-level message passing with voxel-based multiscale aggregation and cross-domain meta-learning to learn transferable representations of local adsorption environments across diverse catalyst--adsorbate systems. Rather than following a conventional regression-only paradigm, Meta-LegNet encodes local chemical environments using invariant radial features and equivariant directional information, and further incorporates broader structural context through coordinate-frame voxel pooling, assignment-based upsampling, and gated feature fusion. The resulting local-global decomposition produces atom-resolved attribution maps, which are processed to identify adsorption-relevant local environments in an interpretable manner. Based on the learned representations, we further construct an adsorption-environment database and develop a template-matching strategy to propose likely adsorption sites on previously unexplored surfaces without exhaustive site enumeration. Overall, our results suggest that learning transferable adsorption environments provides an accurate, interpretable, and practical route for accelerating catalyst screening.

Real-world knowledge is often organized as hierarchies such as product taxonomies, medical ontologies, and label trees, yet learning hierarchical representations is challenging due to asymmetric structure and noisy semantics. We introduce Polaris, a polar hyperspherical embedding framework that separates semanticity from hierarchy using angular geometry and radius, enabling the learning of meaning and structure without interference. To map latent representation onto the sphere, we project it to the tangent space at the north pole, apply the exponential map, and learn unit-norm representations using spherical linear layers. Polaris then combines robust local constraints, global regularization that prevents geometric collapse, and uncertainty-aware asymmetric objectives that encourage directional containment. At inference time, Polaris uses structure-guided retrieval to efficiently narrow down candidate parents before final ranking. We evaluate Polaris on different settings of taxonomy expansion - spanning trees, multi-parent DAGs, and multimodal hierarchies, showing consistent improvements of up to ~19 points in top-K retrieval and up to ~60% reduction in mean rank over fourteen strong baselines.

Modern visual world modeling systems increasingly rely on high-capacity architectures and large-scale data to produce plausible motion, yet they often fail to preserve underlying 3D geometry or physically consistent camera dynamics. A key limitation lies not only in model capacity, but in the latent representations used to encode geometric structure. We propose S$^2$VAE, a geometry-first latent learning framework that focuses on compressing and representing the latent 3D state of a scene, including camera motion, depth, and point-level structure, rather than modeling appearance alone. Building on representations from a Visual Geometry Grounded Transformer (VGGT), we introduce a novel type of variational autoencoder using a product of Power Spherical latent distributions, explicitly enforcing hyperspherical structure in the bottleneck to preserve directional and geometric semantics under strong compression. Across depth estimation, camera pose recovery, and point cloud reconstruction, we show that geometry-aligned hyperspherical latents consistently outperform conventional Gaussian bottlenecks, particularly in high-compression regimes. Our results highlight latent geometry as a first-class design choice for physically grounded visual and world models.

The Forward-Forward (FF) algorithm presents a compelling, bio-inspired alternative to backpropagation. However, while efficient in training, it has a computationally prohibitive inference process that requires a separate forward pass for every class that is evaluated. In this work, we introduce the Hyperspherical Forward-Forward (HFF), a novel reformulation that resolves this critical bottleneck. Our core innovation is to reframe the local objective of each layer from a binary goodness-of-fit task to a direct multi-class classification problem within a hyperspherical feature space. We achieve this by learning a set of class-specific, unit-norm prototypes that act as geometric anchors and implicit negatives. This architectural innovation preserves the benefits of local training while enabling weight update and inference in a single forward pass, making it >40x faster than the original FF algorithm. Our method is simple to implement, scales effectively to modern convolutional architectures, and achieves superior accuracy on standard image classification benchmarks, closing the gap with backpropagation. Most notably, we are among the first greedy local-learning methods to report over 25% top-1 accuracy on ImageNet-1k, and 65.96% with transfer learning.

Monocular depth estimation (MDE) is a fundamental yet inherently ill-posed task. Recent vision foundation models (VFMs), particularly DINO-based transformers, have significantly improved accuracy and generalization for dense prediction. Prior works generally follow a unified paradigm: sampling a fixed set of intermediate transformer layers at uniform intervals to build multi-scale features. This common practice implicitly assumes that geometric information is uniformly distributed across layers, which may underutilize the structural 3D cues encoded in VFMs. In this study, we present a systematic layer-wise analysis of DINOv3, revealing that 3D information is distributed non-uniformly: deeper layers exhibit stronger depth predictability and better capture inter-sample geometric variation. Motivated by this, we introduce a Last-Layer-Centric Feature Recombination (LFR) module to enhance geometric expressiveness. LFR treats the final layer as a geometric anchor and adaptively selects complementary intermediate layers according to a minimal-similarity criterion. Selected features are fused with the last-layer representation via compact linear adapters.Extensive experiments show that LFR module consistently improves MDE accuracy and achieves state-of-the-art performance. Our analysis sheds light on how geometric knowledge is organized within VFMs and offers an efficient strategy for unlocking their potential in dense 3D tasks.

Distributional and neural approaches to natural language semantics have been built almost exclusively on conventional linear algebra: vectors, matrices, tensors, and the operations that accompany them. These methods have achieved remarkable empirical success, yet they face persistent structural limitations in compositional semantics, type sensitivity, and interpretability. I argue in this paper that geometric algebra (GA) -- specifically, Clifford algebras -- provides a mathematically superior foundation for semantic representation, and that a Functional Geometric Algebra (FGA) framework extends GA toward a typed, compositional semantics capable of supporting inference, transformation, and interpretability while retaining full compatibility with distributional learning and modern neural architectures. I develop the formal foundations, identify three core capabilities that GA provides and linear algebra does not, present a detailed worked example illustrating operator-level semantic contrasts, and show how GA-based operations already implicit in current transformer architectures can be made explicit and extended. The central claim is not merely increased dimensionality but increased structural organization: GA expands an $n$-dimensional embedding space into a $2^n$ multivector algebra where base semantic concepts and their higher-order interactions are represented within a single, principled algebraic framework.

Modern self-supervised representation learning methods often relies on empirical heuristics that are not theoretically grounded. In this study we propose HyDeS, a theoretically grounded method based on multi-view mutual information maximization within an hyperspherical space using Shannon differential entropy with a non-parametric von Mises-Fisher density estimator. We show that HyDeS bias the trained model towards focusing on foreground features of the images and perform well on segmentation tasks such as VOC PASCAL, while it lags in fine-grained classification. We provide a detailed analysis of the induced latent space geometry and learning dynamics, that can be used for designing other theoretically grounded self-supervised learning methods.

LLM pre-training efficacy increasingly depends on data composition rather than sheer volume. Yet, optimal mixing is hindered by categorization flaws: human taxonomies suffer from ontological misalignment, and Euclidean clustering fails to address embedding anisotropy. We introduce GEM (Geometric Entropy Mixing), a framework reformulating data curation as a variational problem on the hypersphere augmented with a mixing-balance regularizer. By decoupling the generative prior and optimizing the objective via a provable MM (Minorize-Maximize) algorithm, GEM effectively counteracts the cluster collapse to discover balanced semantic structures invisible to Euclidean heuristics. We employ teacher-student distillation to scale this geometric fidelity to web-scale corpora and introduce the Geometric Influence Score (GIS) for interpretable taxonomy generation. Experiments with 1.1B-parameter models demonstrate that GEM establishes a new state-of-the-art when integrated into mixing strategies like DoReMi and RegMix, improving average downstream accuracy by up to 1.2% and offering a robust coordinate system for predictable data mixing.

Semi-supervised learning has emerged as a powerful paradigm for leveraging large amounts of unlabeled data to improve the performance of machine learning models when labeled data are scarce. Among existing approaches, methods derived from FixMatch have achieved state-of-the-art results in image classification by combining weak and strong data augmentations with confidence-based pseudo-labeling. Despite their strong empirical performance, these methods typically struggle with two critical bottlenecks: majority classes tend to dominate the learning process, which is amplified by incorrect pseudo-labels, leading to biased models. Furthermore, noisy early pseudo-labels prevent the model from forming clear decision boundaries, requiring prolonged training to learn informative representation. In this paper, we introduce a paradigm shift from conventional logical output threshold base, toward an explicit shaping of geometric representations. Our approach is inspired by the recently proposed Latent-Euclidean Joint-Embedding Predictive Architectures (LeJEPA), a theoretically grounded framework asserting that meaningful representations should exhibit an isotropic Gaussian structure in latent space. Building on this principle, we propose a new training objective that combines the classical semi-supervised loss used in FlexMatch, an adaptive extension of FixMatch, with a latent-space regularization term derived from LeJEPA. Our proposed approach, encourages well-structured representations while preserving the advantages of pseudo-labeling strategies. Through extensive experiments on CIFAR-100, STL-10 and Tiny-ImageNet, we demonstrate that the proposed method consistently outperforms existing baselines. In addition, our method significantly accelerates the convergence, drastically reducing the overall computational cost compared to standard FixMatch-based pipelines.

Graph neural networks face two fundamental challenges rooted in the linear structure of Euclidean vector spaces: (1) Current architectures represent geometry through vectors (directions, gradients), yet many tasks require matrix-valued representations that capture relationships between directions-such as how atomic orientations covary in a molecule. These second-order representations are naturally captured by points on the symmetric positive definite matrices (SPD) manifold; (2) Standard message passing applies shared transformations across edges. Sheaf neural networks address this via edge-specific transformations, but existing formulations remain confined to vector spaces and therefore cannot propagate matrix-valued features. We address both challenges by developing the first sheaf neural network operates natively on the SPD manifold. Our key insight is that the SPD manifold admits a Lie group structure, enabling well-posed analogs of sheaf operators without projecting to Euclidean space. Theoretically, we prove that SPD-valued sheaves are strictly more expressive than Euclidean sheaves: they admit consistent configurations (global sections) that vector-valued sheaves cannot represent, directly translating to richer learned representations. Empirically, our sheaf convolution transforms effectively rank-1 directional inputs into full-rank matrices encoding local geometric structure. Our dual-stream architecture achieves SOTA on 6/7 MoleculeNet benchmarks, with the sheaf framework providing consistent depth robustness.

This paper investigates the intrinsic geometrical features of highly similar objects and introduces a general self-supervised framework called the Geometric Attribute Exploration Network (GAEor), which is designed to address the ultra-fine-grained visual categorization (Ultra-FGVC) task in data-limited scenarios. Unlike prior work that often captures subtle yet critical distinctions, GAEor generates geometric attributes as novel alternative recognition cues. These attributes are determined by various details within the object, aligned with its geometric patterns, such as the intricate vein structures in soybean leaves. Crucially, each category exhibits distinct geometric descriptors that serve as powerful cues, even among objects with minimal visual variation -- a factor largely overlooked in recent research. GAEor discovers these geometric attributes by first amplifying geometry-relevant details via visual feedback from a backbone network, then embedding the relative polar coordinates of these details into the final representation. Extensive experiments demonstrate that GAEor significantly sets new state-of-the-art records in five widely-used Ultra-FGVC benchmarks.

Standard supervised learning optimizes for predictive accuracy but remains agnostic to the internal geometry of learned features, often yielding representations that are entangled and brittle. We propose Class-Conditional Activation Regularization (CCAR) to explicitly engineer the feature space, imposing a block-diagonal structure via a soft inductive bias. By shaping the latent representation to confine class energy to orthogonal subspaces, we create an intrinsic geometric scaffold that naturally filters noise and adversarial perturbations. We provide theoretical analysis linking this structural constraint to the maximization of the Fisher Discriminant Ratio, establishing a formal connection between geometric disentanglement and algorithmic stability. Empirically, this approach demonstrates that robustness is an emergent property of a well-engineered feature space, significantly outperforming baselines on label noise and input corruption benchmarks.

Many CAD learning pipelines discretize Boundary Representations (B-Reps) into triangle meshes, discarding analytic surface structure and topological adjacency and thereby weakening consistent instance-level analysis. We present STEP-Parts, a deterministic CAD-to-supervision toolchain that extracts geometric instance partitions directly from raw STEP B-Reps and transfers them to tessellated carriers through retained source-face correspondence, yielding instance labels and metadata for downstream learning and evaluation. The construction merges adjacent B-Rep faces only when they share the same analytic primitive type and satisfy a near-tangent continuity criterion. On ABC, same-primitive dihedral angles are strongly bimodal, yielding a threshold-insensitive low-angle regime for part extraction. Because the partition is defined on intrinsic B-Rep topology rather than on a particular triangulation, the resulting boundaries remain stable under changes in tessellation. Applied to the DeepCAD subset of ABC, the pipeline processes approximately 180{,}000 models in under six hours on a consumer CPU. We release code and precomputed labels, and show that STEP-Parts serves both as a tessellation-robust geometric reference and as a useful supervision source in two downstream probes: an implicit reconstruction--segmentation network and a dataset-level point-based backbone.

Establishing accurate point-to-point correspondences between non-rigid 3D shapes remains a critical challenge, particularly under non-isometric deformations and topological noise. Existing functional map pipelines suffer from ambiguities that geometric descriptors alone cannot resolve, and spatial inconsistencies inherent in the projection of truncated spectral bases to dense pointwise correspondences. In this paper, we introduce SGMatch, a learning-based framework that couples 3D-lifted semantic cues with trajectory-level feature transport regularization. Specifically, we design a Semantic-Guided Local Cross-Attention module that integrates semantic features from vision foundation models into geometric descriptors while preserving local structural continuity. Furthermore, we adapt conditional flow matching as a time-conditioned feature transport regularizer that promotes spatially coherent point-wise recovery. Experimental results on multiple benchmarks demonstrate that SGMatch achieves competitive performance across near-isometric settings and consistent improvements under non-isometric deformations and topological noise.

Compositional generalization, the ability to recognize familiar parts in novel contexts, is a defining property of intelligent systems. Although modern models are trained on massive datasets, they still cover only a tiny fraction of the combinatorial space of possible inputs, raising the question of what structure representations must have to support generalization to unseen combinations. We formalize three desiderata for compositional generalization under standard training (divisibility, transferability, stability) and show they impose necessary geometric constraints: representations must decompose linearly into per-concept components, and these components must be orthogonal across concepts. This provides theoretical grounding for the Linear Representation Hypothesis: the linear structure widely observed in neural representations is a necessary consequence of compositional generalization. We further derive dimension bounds linking the number of composable concepts to the embedding geometry. Empirically, we evaluate these predictions across modern vision models (CLIP, SigLIP, DINO) and find that representations exhibit partial linear factorization with low-rank, near-orthogonal per-concept factors, and that the degree of this structure correlates with compositional generalization on unseen combinations. As models continue to scale, these conditions predict the representational geometry they may converge to. Code is available at https://github.com/oshapio/necessary-compositionality.

A growing number of neural architectures have been proposed to enforce geometric constraints, including projection-based networks, exponential-map updates, constrained output layers, and manifold neural ODEs. We provide a unified framework for these geometry-preserving architectures by organizing them according to where and how constraints are enforced, either throughout the intermediate layers or only at the final output. This perspective reveals several gaps in the existing theory. To address these gaps, we prove high-level approximation theorems for projected neural ODEs, intermediate augmented architectures, and final augmented architectures on prox-regular constraint sets, including smooth manifolds with boundary. Numerical experiments on synthetic dynamics over S^2, the disk, SO(3), together with real-world protein backbone data on SE(3), demonstrate exact feasibility for analytic updates and show that the final augmentation have simpler architecture and outperform in most tasks considered. When the constraint set is unknown, we learn projections via small-time heat-kernel limits, showing diffusion/flow-matching can be used as data-based projections. Moreover, we also the demonstrate the usefulness of the architectures that enforce non-convex constraints for path planning on manifolds with boundary.