Daily Papers

Automatic generation of computer-aided design (CAD) models is a core technology for enabling intelligence in advanced manufacturing. Existing generation methods based on large language models (LLMs) often fall short when handling complex CAD models characterized by long operation sequences, diverse operation types, and strong geometric constraints, primarily because reasoning chains break and effective error-correction mechanisms are lacking. To address this problem, this paper proposes a memory-augmented reinforcement learning framework for CAD generation agents. The framework encapsulates the underlying geometric kernel into a structured toolchain callable by the agent and builds a closed-loop mechanism of design intent understanding, global planning, execution, and multi-dimensional verification. It also designs a dual-track memory module consisting of a case library and a skill library, and proposes a dynamic utility retrieval algorithm. By introducing reinforcement learning into retrieval and policy optimization, the agent can effectively avoid retrieval traps in which examples are semantically similar but geometrically infeasible, enabling online self-correction and continual evolution without additional large-scale annotated data. Experiments show that the proposed method significantly improves both the success rate and geometric consistency on complex CAD model generation tasks.

Vision-language models still struggle to understand 3D spatial relations across views and update spatial judgments as the observer moves. A common approach fuses 3D reconstruction features into visual tokens, but aligning these features with pretrained semantic representations remains challenging under limited spatial supervision. We propose DK-VLM with Dual-Kernel Attention, which computes attention from both a visual token's input position and its geometric position in the scene. A semantic kernel retains the pretrained model's native attention and positional encoding, while a separate geometric kernel uses estimated 3D points and camera poses to directly modulate attention through point displacements and relative view transformations. Then, a learned gate fuses their outputs. Geometry thus enters attention as position rather than as fused reconstruction features. We further introduce Reference-Frame Composition (RC) supervision to train the model to update its reference frame across successive judgments. It provides stepwise turn and heading targets derived from verified single-step annotations. Among the compared methods, DK-VLM-8B achieves the highest average score across six spatial benchmarks and the highest overall scores on VSI-Bench (74.33) and ReVSI-32 (58.28). RC supervision further improves multi-step spatial reasoning, while the full model preserves general video understanding. Project page: https://sumuru789.github.io/DK-VLM-website/.

Video-based human pose transfer is a video-to-video generation task that animates a plain source human image based on a series of target human poses. Considering the difficulties in transferring highly structural patterns on the garments and discontinuous poses, existing methods often generate unsatisfactory results such as distorted textures and flickering artifacts. To address these issues, we propose a novel Deformable Motion Modulation (DMM) that utilizes geometric kernel offset with adaptive weight modulation to simultaneously perform feature alignment and style transfer. Different from normal style modulation used in style transfer, the proposed modulation mechanism adaptively reconstructs smoothed frames from style codes according to the object shape through an irregular receptive field of view. To enhance the spatio-temporal consistency, we leverage bidirectional propagation to extract the hidden motion information from a warped image sequence generated by noisy poses. The proposed feature propagation significantly enhances the motion prediction ability by forward and backward propagation. Both quantitative and qualitative experimental results demonstrate superiority over the state-of-the-arts in terms of image fidelity and visual continuity. The source code is publicly available at github.com/rocketappslab/bdmm.

Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.

We introduce a framework for learning continuous neural representations of formal specifications by distilling the geometry of their semantics into a latent space. Existing approaches rely either on symbolic kernels -- which preserve behavioural semantics but are computationally prohibitive, anchor-dependent, and non-invertible -- or on syntax-based neural embeddings that fail to capture underlying structures. Our method bridges this gap: using a teacher-student setup, we distill a symbolic robustness kernel into a Transformer encoder. Unlike standard contrastive methods, we supervise the model with a continuous, kernel-weighted geometric alignment objective that penalizes errors in proportion to their semantic discrepancies. Once trained, the encoder produces embeddings in a single forward pass, effectively mimicking the kernel's logic at a fraction of its computational cost. We apply our framework to Signal Temporal Logic (STL), demonstrating that the resulting neural representations faithfully preserve the semantic similarity of STL formulae, accurately predict robustness and constraint satisfaction, and remain intrinsically invertible. Our proposed approach enables highly efficient, scalable neuro-symbolic reasoning and formula reconstruction without repeated kernel computation at runtime.

The Transformer architecture has achieved tremendous success in natural language processing, computer vision, and scientific computing through its self-attention mechanism. However, its core components-positional encoding and attention mechanisms-have lacked a unified physical or mathematical interpretation. This paper proposes a structural theoretical framework that integrates positional encoding, kernel integral operators, and attention mechanisms for in-depth theoretical investigation. We map discrete positions (such as text token indices and image pixel coordinates) to spatial functions on continuous manifolds, enabling a field-theoretic interpretation of Transformer layers as kernel-modulated operators acting over embedded manifolds.

Geometric Attention (GA) specifies an attention layer by four independent inputs: a finite carrier (what indices are addressable), an evidence-kernel rule (how masked proto-scores and a link induce nonnegative weights), a probe family (which observables are treated as admissible), and an anchor/update rule (which representative kernel is selected and how it is applied). Probe families induce an operational equivalence relation on kernels and therefore a gauge; anchors select representatives relative to that probe. Under a scalar relational-work representation and a multiplicative compositionality law for evidence, the admissible link family is exponential, yielding Gibbs weights; with row anchoring this includes the softmax kernel family as a subregime. After quotienting unary row/column score fields, the remaining interaction component admits a canonical rank-r normal form (Eckart-Young/SVD); dot-product score charts implement the corresponding low-rank interaction regime. Fixing the carrier and extensionalizing the update yields the standard fixed-token Transformer attention operator; allowing carrier updates yields adaptive-carrier and staged-depth regimes. The operator language also supports multihead/mixed kernels, plan-based anchors (e.g., entropic OT/Sinkhorn), and unary operators (e.g., FFN-style fields) as explicit regime choices. This separates invariant structure from modeling choice, enabling principled comparison and extension of attention mechanisms, and attention-based architectures.

Inverse inequalities are essential for controlling derivative growth and ensuring stable sampling in kernel approximation. Existing whole-space and single-scale estimates provide an established analytical basis, but their extension to multiscale analytic spaces on finite intervals requires uniform control of boundary effects and cross-scale cancellation. This paper establishes unweighted interval \(L^2\) inverse inequalities for spaces generated by primitives of kernels with positive exponential spectra. By retaining exterior diagonal energy and controlling off-diagonal interactions through one-sided estimates with endpoint-distance weights, we derive uniform coefficient bounds for normalized high derivatives. A synthesis-operator perturbation argument extends these bounds to positive spectral mixtures, while adjacent-derivative comparison and interval interpolation yield an inverse bound of order \(h_*^{-1}\), where \(h_*\) is the smallest scale. Under geometric scale separation and within-scale centre separation, the constant is independent of the number of scales and centres and their distances from the endpoints, allowing endpoint centres and coincident centres across scales. The coefficient lower bound approaches the optimal limit \(1/2\). Two-centre constructions establish the sharpness of the scale exponent for every fixed kernel in the class and, for a single exponential spectrum, a sharp deficit of order \(q^{-1/2}\) from \(1/2\) for the best uniform coefficient lower bound, where \(q\) is the derivative order. Numerical illustrations for Cauchy and logistic kernels demonstrate coefficient stability in several multiscale configurations. These results extend interval inverse estimates to multiscale analytic kernel spaces with endpoint centres and provide quantitative conditions for deterministic sampling stability.

We propose a spherical kernel for efficient graph convolution of 3D point clouds. Our metric-based kernels systematically quantize the local 3D space to identify distinctive geometric relationships in the data. Similar to the regular grid CNN kernels, the spherical kernel maintains translation-invariance and asymmetry properties, where the former guarantees weight sharing among similar local structures in the data and the latter facilitates fine geometric learning. The proposed kernel is applied to graph neural networks without edge-dependent filter generation, making it computationally attractive for large point clouds. In our graph networks, each vertex is associated with a single point location and edges connect the neighborhood points within a defined range. The graph gets coarsened in the network with farthest point sampling. Analogous to the standard CNNs, we define pooling and unpooling operations for our network. We demonstrate the effectiveness of the proposed spherical kernel with graph neural networks for point cloud classification and semantic segmentation using ModelNet, ShapeNet, RueMonge2014, ScanNet and S3DIS datasets. The source code and the trained models can be downloaded from https://github.com/hlei-ziyan/SPH3D-GCN.

Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel K-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .

Denoising diffusion models have shown great potential in multiple research areas. Existing diffusion-based generative methods on de novo 3D molecule generation face two major challenges. Since majority heavy atoms in molecules allow connections to multiple atoms through single bonds, solely using pair-wise distance to model molecule geometries is insufficient. Therefore, the first one involves proposing an effective neural network as the denoising kernel that is capable to capture complex multi-body interatomic relationships and learn high-quality features. Due to the discrete nature of graphs, mainstream diffusion-based methods for molecules heavily rely on predefined rules and generate edges in an indirect manner. The second challenge involves accommodating molecule generation to diffusion and accurately predicting the existence of bonds. In our research, we view the iterative way of updating molecule conformations in diffusion process is consistent with molecular dynamics and introduce a novel molecule generation method named Geometric-Facilitated Molecular Diffusion (GFMDiff). For the first challenge, we introduce a Dual-Track Transformer Network (DTN) to fully excevate global spatial relationships and learn high quality representations which contribute to accurate predictions of features and geometries. As for the second challenge, we design Geometric-Facilitated Loss (GFLoss) which intervenes the formation of bonds during the training period, instead of directly embedding edges into the latent space. Comprehensive experiments on current benchmarks demonstrate the superiority of GFMDiff.

Learning Bird's Eye View (BEV) representation from surrounding-view cameras is of great importance for autonomous driving. In this work, we propose a Geometry-guided Kernel Transformer (GKT), a novel 2D-to-BEV representation learning mechanism. GKT leverages the geometric priors to guide the transformer to focus on discriminative regions and unfolds kernel features to generate BEV representation. For fast inference, we further introduce a look-up table (LUT) indexing method to get rid of the camera's calibrated parameters at runtime. GKT can run at 72.3 FPS on 3090 GPU / 45.6 FPS on 2080ti GPU and is robust to the camera deviation and the predefined BEV height. And GKT achieves the state-of-the-art real-time segmentation results, i.e., 38.0 mIoU (100mtimes100m perception range at a 0.5m resolution) on the nuScenes val set. Given the efficiency, effectiveness, and robustness, GKT has great practical values in autopilot scenarios, especially for real-time running systems. Code and models will be available at https://github.com/hustvl/GKT.

Optimizing CUDA code across multiple generations of GPU architectures is challenging, as achieving peak performance requires an extensive exploration of an increasingly complex, hardware-specific optimization space. Traditional compilers are constrained by fixed heuristics, whereas finetuning Large Language Models (LLMs) can be expensive. However, agentic workflows for CUDA code optimization have limited ability to aggregate knowledge from prior exploration, leading to biased sampling and suboptimal solutions. We propose KernelBlaster, a Memory-Augmented In-context Reinforcement Learning (MAIC-RL) framework designed to improve CUDA optimization search capabilities of LLM-based GPU coding agents. KernelBlaster enables agents to learn from experience and make systematically informed decisions on future tasks by accumulating knowledge into a retrievable Persistent CUDA Knowledge Base. We propose a novel profile-guided, textual-gradient-based agentic flow for CUDA generation and optimization to achieve high performance across generations of GPU architectures. KernelBlaster guides LLM agents to systematically explore high-potential optimization strategies beyond naive rewrites. Compared to the PyTorch baseline, our method achieves geometric mean speedups of 1.43x, 2.50x, and 1.50x on KernelBench Levels 1, 2, and 3, respectively. We release KernelBlaster as an open-source agentic framework, accompanied by a test harness, verification components, and a reproducible evaluation pipeline.

We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.

GPU kernel agents and GPU programming languages have advanced separately, leaving expert kernels difficult to reproduce. Agents usually treat the compiler as a fixed black box and receive only errors, correctness outcomes, and timing, while existing DSLs either hide critical scheduling decisions or expose them through difficult layout abstractions. We present CAKE, a compiler-agent co-design in which agents author CAKE IR, a typed, hardware-explicit schedule representation. CAKE exposes warp roles, memory movement, synchronization, and pipelines while supporting verification, cost modeling, and localized diagnostics. The harness itself evolves: recurring failures become verifier rules, IR primitives, model calibrations, and reusable optimization tactics. In matched implementation-hidden Flash-KMeans clean starts on B200, the best CAKE IR candidate at an 80-million-token budget runs at 1.144x the tuned FlashML baseline, compared with 0.928x for direct CUDA/PTX. Beyond this benchmark, agent-generated Kimi Delta Attention achieves a 2.05x geometric-mean speedup over official FlashKDA and passes end-to-end serving validation. Dispatcher-backed KNN and KMeans improve performance by 1.42x to 2.12x across more than 400 shapes, and four kernel changes are available as upstream PRs. CAKE targets NVIDIA GPUs from Ampere through Blackwell and separates single-shape evolution from library generalization and dispatch.

Developing efficient GPU kernels is essential for scaling modern AI systems, yet it remains a complex task due to intricate hardware architectures and the need for specialized optimization expertise. Although Large Language Models (LLMs) demonstrate strong capabilities in general sequential code generation, they face significant challenges in GPU code generation because of the scarcity of high-quality labeled training data, compiler biases when generating synthetic solutions, and limited generalization across hardware generations. This precludes supervised fine-tuning (SFT) as a scalable methodology for improving current LLMs. In contrast, reinforcement learning (RL) offers a data-efficient and adaptive alternative but requires access to relevant tools, careful selection of training problems, and a robust evaluation environment. We present Makora's environment and tools for reinforcement learning finetuning of frontier models and report our results from fine-tuning GPT-5 for Triton code generation. In the single-attempt setting, our fine-tuned model improves kernel correctness from 43.7% to 77.0% (+33.3 percentage points) and increases the fraction of problems outperforming TorchInductor from 14.8% to 21.8% (+7 percentage points) compared to baseline GPT-5, while exceeding prior state-of-the-art models on KernelBench. When integrated into a full coding agent, it is able to solve up to 97.4% of problems in an expanded KernelBench suite, outperforming the PyTorch TorchInductor compiler on 72.9% of problems with a geometric mean speedup of 2.12x. Our work demonstrates that targeted post-training with reinforcement learning can unlock LLM capabilities in highly specialized technical domains where traditional supervised learning is limited by data availability, opening new pathways for AI-assisted accelerator programming.

Alignment is crucial for text-to-image (T2I) models to ensure that generated images faithfully capture user intent while maintaining safety and fairness. Direct Preference Optimization (DPO), prominent in large language models (LLMs), is extending its influence to T2I systems. This paper introduces DPO-Kernels for T2I models, a novel extension enhancing alignment across three dimensions: (i) Hybrid Loss, integrating embedding-based objectives with traditional probability-based loss for improved optimization; (ii) Kernelized Representations, employing Radial Basis Function (RBF), Polynomial, and Wavelet kernels for richer feature transformations and better separation between safe and unsafe inputs; and (iii) Divergence Selection, expanding beyond DPO's default Kullback-Leibler (KL) regularizer by incorporating Wasserstein and R'enyi divergences for enhanced stability and robustness. We introduce DETONATE, the first large-scale benchmark of its kind, comprising approximately 100K curated image pairs categorized as chosen and rejected. DETONATE encapsulates three axes of social bias and discrimination: Race, Gender, and Disability. Prompts are sourced from hate speech datasets, with images generated by leading T2I models including Stable Diffusion 3.5 Large, Stable Diffusion XL, and Midjourney. Additionally, we propose the Alignment Quality Index (AQI), a novel geometric measure quantifying latent-space separability of safe/unsafe image activations, revealing hidden vulnerabilities. Empirically, we demonstrate that DPO-Kernels maintain strong generalization bounds via Heavy-Tailed Self-Regularization (HT-SR). DETONATE and complete code are publicly released.

In this paper, we introduce Point2Mesh, a technique for reconstructing a surface mesh from an input point cloud. Instead of explicitly specifying a prior that encodes the expected shape properties, the prior is defined automatically using the input point cloud, which we refer to as a self-prior. The self-prior encapsulates reoccurring geometric repetitions from a single shape within the weights of a deep neural network. We optimize the network weights to deform an initial mesh to shrink-wrap a single input point cloud. This explicitly considers the entire reconstructed shape, since shared local kernels are calculated to fit the overall object. The convolutional kernels are optimized globally across the entire shape, which inherently encourages local-scale geometric self-similarity across the shape surface. We show that shrink-wrapping a point cloud with a self-prior converges to a desirable solution; compared to a prescribed smoothness prior, which often becomes trapped in undesirable local minima. While the performance of traditional reconstruction approaches degrades in non-ideal conditions that are often present in real world scanning, i.e., unoriented normals, noise and missing (low density) parts, Point2Mesh is robust to non-ideal conditions. We demonstrate the performance of Point2Mesh on a large variety of shapes with varying complexity.

Parallel programming is central to HPC and AI, but producing code that is correct and fast remains challenging, especially for OpenMP GPU offload, where data movement and tuning dominate. Autonomous coding agents can compile, test, and profile on target hardware, but outputs are brittle without domain scaffolding. We present ParaCodex, an HPC-engineer workflow that turns a Codex-based agent into an autonomous OpenMP GPU offload system using staged hotspot analysis, explicit data planning, correctness gating, and profiling-guided refinement. We evaluate translation from serial CPU kernels to OpenMP GPU offload kernels on HeCBench, Rodinia, and NAS. After excluding five kernels, ParaCodex succeeded on all 31 valid kernels. The generated kernels improved GPU time over reference OpenMP implementations in 25/31 cases, achieving geometric-mean speedups of 3x on HeCBench and 5x on Rodinia, and outperforming a zero-shot Codex baseline on all suites. We also evaluate CUDA to OpenMP offload translation on ParEval, where ParaCodex maintains high compilation and validation rates in code-only and end-to-end settings.

Gaussian splatting has achieved impressive improvements for both novel-view synthesis and surface reconstruction from multi-view images. However, current methods still struggle to reconstruct high-quality surfaces from only sparse view input images using Gaussian splatting. In this paper, we propose a novel method called SolidGS to address this problem. We observed that the reconstructed geometry can be severely inconsistent across multi-views, due to the property of Gaussian function in geometry rendering. This motivates us to consolidate all Gaussians by adopting a more solid kernel function, which effectively improves the surface reconstruction quality. With the additional help of geometrical regularization and monocular normal estimation, our method achieves superior performance on the sparse view surface reconstruction than all the Gaussian splatting methods and neural field methods on the widely used DTU, Tanks-and-Temples, and LLFF datasets.

Online 3D reconstruction requires estimating camera pose and scene geometry under strict causal and bounded-memory constraints. Existing methods often suffer from drift, jitter, or collapse on long sequences. We trace these failures to a fundamental mismatch. Streaming geometry is inherently temporally heterogeneous, with evidence ranging from short-lived correspondences to persistent global scale. However, current architectures impose uniform and pathological influence patterns. For example, sliding windows enforce hard cutoffs, while ungated recurrence and causal attention cause cache saturation and spike-like attention sinks. To resolve this, we formalize geometric propagation as an evidence influence kernel and propose HorizonStream, a long-horizon Transformer that explicitly factorizes this kernel. For the long-range temporal factor, Geometric Linear Attention learns channel-wise decay rates to enable bounded, multi-timescale propagation of geometric evidence. For the short-range spatial factor, Geometric Local Attention with Spatiotemporal RoPE performs reliable 3D matching while suppressing attention sinks. Finally, Metric Readout Tokens recover stable scale and rigid pose directly from the persistent geometric state. Extensive experiments show that HorizonStream, trained on only 48-frame clips, generalizes stably to sequences exceeding 10,000\ frames with constant memory and linear time, achieving state-of-the-art streaming 3D reconstruction performance. Project Page: https://3dagentworld.github.io/horizonstream/

Generative priors in Image Super-Resolution (SR) often compromise faithful restoration, we attribute this limitation to a fundamental spectral misalignment between isotropic objectives and the intrinsic natural image manifold. While Direct Preference Optimization offers a path to alignment, its reliance on spectrally flat Gaussian noise fails to distinguish authentic high-frequency details from hallucinations. To bridge this geometric gap, we propose ASASR, a theoretically grounded framework that recasts the generative flow into a Sobolev-induced Riemannian geometry by explicitly coloring the noise transition kernel to mirror natural spectral decay. Driving this geometric alignment, we integrate a parametric adversary grounded in the Riesz Representation Theorem, which synthesizes targeted negative samples equivalent to worst-case Sobolev gradients to direct optimization along the tangent space of plausible structural failures. Extensive evaluations demonstrate that ASASR outperforms leading generative baselines, particularly in preserving spectral consistency and structural fidelity, offering a robust solution that effectively mitigates artifacts.

3D Gaussian Splatting (3DGS) has advanced radiance field reconstruction by enabling real-time rendering. However, its reliance on Gaussian kernels for geometry and low-order Spherical Harmonics (SH) for color encoding limits its ability to capture complex geometries and diverse colors. We introduce Deformable Beta Splatting (DBS), a deformable and compact approach that enhances both geometry and color representation. DBS replaces Gaussian kernels with deformable Beta Kernels, which offer bounded support and adaptive frequency control to capture fine geometric details with higher fidelity while achieving better memory efficiency. In addition, we extended the Beta Kernel to color encoding, which facilitates improved representation of diffuse and specular components, yielding superior results compared to SH-based methods. Furthermore, Unlike prior densification techniques that depend on Gaussian properties, we mathematically prove that adjusting regularized opacity alone ensures distribution-preserved Markov chain Monte Carlo (MCMC), independent of the splatting kernel type. Experimental results demonstrate that DBS achieves state-of-the-art visual quality while utilizing only 45% of the parameters and rendering 1.5x faster than 3DGS-MCMC, highlighting the superior performance of DBS for real-time radiance field rendering. Interactive demonstrations and source code are available on our project website: https://rongliu-leo.github.io/beta-splatting/.

We present KM-ViPE (Knowledge Mapping Video Pose Engine), a real-time open-vocabulary SLAM framework for uncalibrated monocular cameras in dynamic environments. Unlike systems requiring depth sensors and offline calibration, KM-ViPE operates directly on raw RGB streams, making it ideal for ego-centric applications and harvesting internet-scale video data for training. KM-ViPE tightly couples DINO visual features with geometric constraints through a high-level features based adaptive robust kernel that handles both moving objects and movable static objects (e.g., moving furniture in ego-centric views). The system performs simultaneous online localization and open-vocabulary semantic mapping by fusing geometric and deep visual features aligned with language embeddings. Our results are competitive with state-of-the-art approaches, while existing solutions either operate offline, need depth data and/or odometry estimation, or lack dynamic scene robustness. KM-ViPE benefits from internet-scale training and uniquely combines online operation, uncalibrated monocular input, and robust handling of dynamic scenes, which makes it a good fit for autonomous robotics and AR/VR applications and advances practical spatial intelligence capabilities for embodied AI.

We present a novel formulation for mesh-free, reduced-order simulation of deformable hyperelastic objects. Existing work in reduced-order elastodynamic simulation represents the input geometry by either meshes, which can be difficult to obtain due to challenges in scanning and triangulating complex shapes, or by neural fields that require per-shape optimization. We propose to adopt a Reproducing Kernel Particle Method (RKPM) representation, which enables the construction of reduced-order skinning weights by solving a generalized eigensystem on the Hessian matrix of the elastic energy. We demonstrate that this formulation not only leads to a 40x training speedup compared with the per-shape optimization of neural fields, but also achieves lower simulation error when evaluated against the converged results of finite element method. We show our simulation results on a wide variety of objects in different representations including meshes and Gaussian splats, as well as the application of our method in the downstream task of robot simulation.

Classic 3D scene graph generation approaches fail to work in real-time due to the heavy computational cost of environment mapping and the need to generate intermediate point-cloud representations. To alleviate this issue, a recent work eschews point clouds in favor of a lightweight Gaussian distribution for each object. This approximation drastically speeds up inference and enables real-time 3D scene graph generation. However, the representation has two key weaknesses. 1) Each object is approximated by a single 3D Gaussian, which causes a severe loss of 3D geometric detail. 2) The discrepancy between this approximation and the true object geometry exacerbates the inaccurate merging of object candidates during online inference. To address these issues, we propose NoPA, which represents each object as a separate non-parametric distribution. This formulation retains 3D geometric information while preserving real-time inference of the parametric Gaussian formulation. To build upon our novel object representation, we propose a tailored merging strategy to recover coherent object instances. Specifically, we leverage maximum mean discrepancy on kernel density estimates to enable robust merging of object candidates during online exploration while minimizing added computational complexity. The key is to maintain a fixed particle set per object. Furthermore, to rectify the relation loss caused by misclassified objects, NoPA propagates relationships between objects with high affinity. Experiments show that NoPA substantially outperforms current methods without sacrificing real-time inference speed.

In this article, we study the parameterized complexity of the Set Cover problem restricted to semi-ladder-free hypergraphs, a class defined by Fabianski et al. [Proceedings of STACS 2019]. We observe that two algorithms introduced by Langerman and Morin [Discrete & Computational Geometry 2005] in the context of geometric covering problems can be adapted to this setting, yielding simple FPT and kernelization algorithms for Set Cover in semi-ladder-free hypergraphs. We complement our algorithmic results with a compression lower bound for the problem, which proves the tightness of our kernelization under standard complexity-theoretic assumptions.

Accurate 3D semantic occupancy perception is essential for autonomous driving in complex environments with diverse and irregular objects. While vision-centric methods suffer from geometric inaccuracies, LiDAR-based approaches often lack rich semantic information. To address these limitations, MS-Occ, a novel multi-stage LiDAR-camera fusion framework which includes middle-stage fusion and late-stage fusion, is proposed, integrating LiDAR's geometric fidelity with camera-based semantic richness via hierarchical cross-modal fusion. The framework introduces innovations at two critical stages: (1) In the middle-stage feature fusion, the Gaussian-Geo module leverages Gaussian kernel rendering on sparse LiDAR depth maps to enhance 2D image features with dense geometric priors, and the Semantic-Aware module enriches LiDAR voxels with semantic context via deformable cross-attention; (2) In the late-stage voxel fusion, the Adaptive Fusion (AF) module dynamically balances voxel features across modalities, while the High Classification Confidence Voxel Fusion (HCCVF) module resolves semantic inconsistencies using self-attention-based refinement. Experiments on the nuScenes-OpenOccupancy benchmark show that MS-Occ achieves an Intersection over Union (IoU) of 32.1% and a mean IoU (mIoU) of 25.3%, surpassing the state-of-the-art by +0.7% IoU and +2.4% mIoU. Ablation studies further validate the contribution of each module, with substantial improvements in small-object perception, demonstrating the practical value of MS-Occ for safety-critical autonomous driving scenarios.

Fast Weight Programmers (FWPs) encode temporal dependencies through dynamically updated parameters rather than recurrent hidden states. Quantum FWPs (QFWPs) extend this idea with variational quantum circuits (VQCs), but existing implementations rely on multi-qubit architectures that are difficult to scale on noisy intermediate-scale quantum (NISQ) devices and expensive to simulate classically. We propose gated QKAN-FWP, a fast-weight framework that integrates FWP with Quantum-inspired Kolmogorov-Arnold Network (QKAN) using single-qubit data re-uploading circuits as learnable nonlinear activation, known as DatA Re-Uploading ActivatioN (DARUAN). We further introduce a scalar-gated fast-weight update rule that stabilizes parameter evolution, supported by a theoretical analysis of its adaptive memory kernel, geometric boundedness, and parallelizable gradient paths. We evaluate the framework across time-series benchmarks, MiniGrid reinforcement learning, and highlight real-world solar cycle forecasting as our main practical result. In the long-horizon setting with 528-month input window and 132-month forecast horizon, our 12.5k-parameter model achieves lower scaled Mean Square Error (MSE), peak amplitude error, and peak timing error than a suite of classical recurrent baselines with up to 13x more parameters, including Long Short-Term Memory (LSTM) networks (25.9k-89.1k parameters), WaveNet-LSTM (167k), Vanilla recurrent neural network (11.5k), and a Modified Echo State Network (132k). To validate NISQ compatibility, we further deploy the trained fast programmer on IonQ and IBM Quantum processors, recovering forecasting accuracy within 0.1% relative MSE of the noiseless simulator at 1024 shots. These results position gated QKAN-FWP as a scalable, parameter-efficient, and NISQ-compatible approach to quantum-inspired sequence modeling.

Detecting and localizing defects in 3D point clouds is challenging because abnormal samples are scarce and diverse, while training is often limited to normal data. We propose Anomaly Factory 3D (AF3AD), a modular framework that synthesizes diverse pseudo-anomalies from normal point clouds to expand the training data for unsupervised 3D anomaly detection methods that rely on pseudo-anomalies. AF3AD uses a center-conditioned parametric deformation model defined in local PCA frames, with kernel-controlled spatial falloff, anisotropy, directional gating, and normal/tangential displacement fields, enabling a broad set of geometric defect presets. We demonstrate its ease-of-use and effectiveness by integrating AF3AD with an offset-prediction detector and a reconstruction-based anomaly detection method, showing that AF3AD transfers across detection paradigms. Experiments on AnomalyShapeNet and Real3D-AD show consistent improvements in object- and point-level detection and localization, supported by ablations on preset groups and robustness under noise. AF3AD is designed as a standalone synthesis tool to facilitate adoption across different 3D anomaly detection paradigms. Code is available at github.com/vpc-ccg/AF3AD.

Can a single LLM-based optimization system match specialized tools across fundamentally different domains? We show that when optimization problems are formulated as improving a text artifact evaluated by a scoring function, a single AI-based optimization system-supporting single-task search, multi-task search with cross-problem transfer, and generalization to unseen inputs-achieves state-of-the-art results across six diverse tasks. Our system discovers agent architectures that nearly triple Gemini Flash's ARC-AGI accuracy (32.5% to 89.5%), finds scheduling algorithms that cut cloud costs by 40%, generates CUDA kernels where 87% match or beat PyTorch, and outperforms AlphaEvolve's reported circle packing solution (n=26). Ablations across three domains reveal that actionable side information yields faster convergence and substantially higher final scores than score-only feedback, and that multi-task search outperforms independent optimization given equivalent per-problem budget through cross-task transfer, with benefits scaling with the number of related tasks. Together, we show for the first time that text optimization with LLM-based search is a general-purpose problem-solving paradigm, unifying tasks traditionally requiring domain-specific algorithms under a single framework. We open-source optimize\_anything with support for multiple backends as part of the GEPA project at https://github.com/gepa-ai/gepa .

World models are increasingly regarded as a decisive step toward artificial general intelligence, yet modeling the physical world demands more than rendering convincing frames on demand: it requires an internal world state that keeps evolving over time, decoupled from observation, so that objects endure and events run to their conclusions whether or not a camera is watching, much as the moon holds to its orbit when no one is looking. This requirement is a blind spot of existing benchmarks, which reward surface properties such as fidelity, motion, and camera controllability while never asking whether a generated world keeps evolving once it is unobserved. We introduce WRBench, the first systematic diagnostic benchmark that treats camera motion as an intervention on observability and resolves evaluation into a human-calibrated chain that asks whether the camera executes the requested interaction, whether the scene stays continuous and identifiable while in view, and whether a returning target remains consistent with the event that was set in motion. Across 9{,}600 videos from 23 models spanning four control paradigms, one finding proves stubborn: current systems maintain the observed world as a tracking shot, resuming a returning target in the state at which it was abandoned rather than advancing the event while it went unseen. Because this failure recurs across control paradigms, model families, and increments of scale, robust world-state evolution does not follow from cleaner imagery, tighter control, richer geometric priors, or sheer parameter count We therefore argue that the stability of the physical state kernel and the consistency of worldlines under viewpoint intervention should become first-class objectives of world-model design, so that a world model captures how the world will unfold rather than how the next frame appears.

Privacy-utility tradeoff remains as one of the fundamental issues of differentially private machine learning. This paper introduces a geometrically inspired kernel-based approach to mitigate the accuracy-loss issue in classification. In this approach, a representation of the affine hull of given data points is learned in Reproducing Kernel Hilbert Spaces (RKHS). This leads to a novel distance measure that hides privacy-sensitive information about individual data points and improves the privacy-utility tradeoff via significantly reducing the risk of membership inference attacks. The effectiveness of the approach is demonstrated through experiments on MNIST dataset, Freiburg groceries dataset, and a real biomedical dataset. It is verified that the approach remains computationally practical. The application of the approach to federated learning is considered and it is observed that the accuracy-loss due to data being distributed is either marginal or not significantly high.

We present Kernel Point Convolution (KPConv), a new design of point convolution, i.e. that operates on point clouds without any intermediate representation. The convolution weights of KPConv are located in Euclidean space by kernel points, and applied to the input points close to them. Its capacity to use any number of kernel points gives KPConv more flexibility than fixed grid convolutions. Furthermore, these locations are continuous in space and can be learned by the network. Therefore, KPConv can be extended to deformable convolutions that learn to adapt kernel points to local geometry. Thanks to a regular subsampling strategy, KPConv is also efficient and robust to varying densities. Whether they use deformable KPConv for complex tasks, or rigid KPconv for simpler tasks, our networks outperform state-of-the-art classification and segmentation approaches on several datasets. We also offer ablation studies and visualizations to provide understanding of what has been learned by KPConv and to validate the descriptive power of deformable KPConv.

The use of kernel functions is a common technique to extract important features from data sets. A quantum computer can be used to estimate kernel entries as transition amplitudes of unitary circuits. Quantum kernels exist that, subject to computational hardness assumptions, cannot be computed classically. It is an important challenge to find quantum kernels that provide an advantage in the classification of real-world data. We introduce a class of quantum kernels that can be used for data with a group structure. The kernel is defined in terms of a unitary representation of the group and a fiducial state that can be optimized using a technique called kernel alignment. We apply this method to a learning problem on a coset-space that embodies the structure of many essential learning problems on groups. We implement the learning algorithm with 27 qubits on a superconducting processor.

Problems involving geometric data arise in a variety of fields, including computer vision, robotics, chemistry, and physics. Such data can take numerous forms, such as points, direction vectors, planes, or transformations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric algebra, which offers an efficient 16-dimensional vector space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a transformer, GATr is scalable, expressive, and versatile. In experiments with n-body modeling and robotic planning, GATr shows strong improvements over non-geometric baselines.

Graph kernels have become an established and widely-used technique for solving classification tasks on graphs. This survey gives a comprehensive overview of techniques for kernel-based graph classification developed in the past 15 years. We describe and categorize graph kernels based on properties inherent to their design, such as the nature of their extracted graph features, their method of computation and their applicability to problems in practice. In an extensive experimental evaluation, we study the classification accuracy of a large suite of graph kernels on established benchmarks as well as new datasets. We compare the performance of popular kernels with several baseline methods and study the effect of applying a Gaussian RBF kernel to the metric induced by a graph kernel. In doing so, we find that simple baselines become competitive after this transformation on some datasets. Moreover, we study the extent to which existing graph kernels agree in their predictions (and prediction errors) and obtain a data-driven categorization of kernels as result. Finally, based on our experimental results, we derive a practitioner's guide to kernel-based graph classification.

The neural tangent kernel is a kernel function defined over the parameter distribution of an infinite width neural network. Despite the impracticality of this limit, the neural tangent kernel has allowed for a more direct study of neural networks and a gaze through the veil of their black box. More recently, it has been shown theoretically that the Laplace kernel and neural tangent kernel share the same reproducing kernel Hilbert space in the space of S^{d-1} alluding to their equivalence. In this work, we analyze the practical equivalence of the two kernels. We first do so by matching the kernels exactly and then by matching posteriors of a Gaussian process. Moreover, we analyze the kernels in R^d and experiment with them in the task of regression.

We discuss how to define a kernel for Signal Temporal Logic (STL) formulae. Such a kernel allows us to embed the space of formulae into a Hilbert space, and opens up the use of kernel-based machine learning algorithms in the context of STL. We show an application of this idea to a regression problem in formula space for probabilistic models.

We introduce Geometric Neural Operators (GNPs) for accounting for geometric contributions in data-driven deep learning of operators. We show how GNPs can be used (i) to estimate geometric properties, such as the metric and curvatures, (ii) to approximate Partial Differential Equations (PDEs) on manifolds, (iii) learn solution maps for Laplace-Beltrami (LB) operators, and (iv) to solve Bayesian inverse problems for identifying manifold shapes. The methods allow for handling geometries of general shape including point-cloud representations. The developed GNPs provide approaches for incorporating the roles of geometry in data-driven learning of operators.

We study an algorithm-independent, worst-case lower bound for the Gaussian process (GP) bandit problem in the frequentist setting, where the reward function is fixed and has a bounded norm in the known reproducing kernel Hilbert space (RKHS). Specifically, we focus on the squared exponential (SE) kernel, one of the most widely used kernel functions in GP bandits. One of the remaining open questions for this problem is the gap in the dimension-dependent logarithmic factors between upper and lower bounds. This paper partially resolves this open question under a hyperspherical input domain. We show that any algorithm suffers Ω(T (ln T)^{d (ln ln T)^{-d}}) cumulative regret, where T and d represent the total number of steps and the dimension of the hyperspherical domain, respectively. Regarding the simple regret, we show that any algorithm requires Ω(ε^{-2}(ln 1ε)^d (ln ln 1ε)^{-d}) time steps to find an ε-optimal point. We also provide the improved O((ln T)^{d+1}(ln ln T)^{-d}) upper bound on the maximum information gain for the SE kernel. Our results guarantee the optimality of the existing best algorithm up to dimension-independent logarithmic factors under a hyperspherical input domain.

Symmetric Positive Definite (SPD) matrices are ubiquitous in data analysis under the form of covariance matrices or correlation matrices. Several O(n)-invariant Riemannian metrics were defined on the SPD cone, in particular the kernel metrics introduced by Hiai and Petz. The class of kernel metrics interpolates between many classical O(n)-invariant metrics and it satisfies key results of stability and completeness. However, it does not contain all the classical O(n)-invariant metrics. Therefore in this work, we investigate super-classes of kernel metrics and we study which key results remain true. We also introduce an additional key result called cometric-stability, a crucial property to implement geodesics with a Hamiltonian formulation. Our method to build intermediate embedded classes between O(n)-invariant metrics and kernel metrics is to give a characterization of the whole class of O(n)-invariant metrics on SPD matrices and to specify requirements on metrics one by one until we reach kernel metrics. As a secondary contribution, we synthesize the literature on the main O(n)-invariant metrics, we provide the complete formula of the sectional curvature of the affine-invariant metric and the formula of the geodesic parallel transport between commuting matrices for the Bures-Wasserstein metric.

Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges, such as handling thin structures and non-watertight geometries, which limit their flexibility and accuracy. In contrast, we propose a novel geometric data representation that models geometry as distributions-a powerful representation that makes no assumptions about surface genus, connectivity, or boundary conditions. Our approach uses diffusion models with a novel network architecture to learn surface point distributions, capturing fine-grained geometric details. We evaluate our representation qualitatively and quantitatively across various object types, demonstrating its effectiveness in achieving high geometric fidelity. Additionally, we explore applications using our representation, such as textured mesh representation, neural surface compression, dynamic object modeling, and rendering, highlighting its potential to advance 3D geometric learning.

The kernel thinning (KT) algorithm of Dwivedi and Mackey (2021) compresses a probability distribution more effectively than independent sampling by targeting a reproducing kernel Hilbert space (RKHS) and leveraging a less smooth square-root kernel. Here we provide four improvements. First, we show that KT applied directly to the target RKHS yields tighter, dimension-free guarantees for any kernel, any distribution, and any fixed function in the RKHS. Second, we show that, for analytic kernels like Gaussian, inverse multiquadric, and sinc, target KT admits maximum mean discrepancy (MMD) guarantees comparable to or better than those of square-root KT without making explicit use of a square-root kernel. Third, we prove that KT with a fractional power kernel yields better-than-Monte-Carlo MMD guarantees for non-smooth kernels, like Laplace and Mat\'ern, that do not have square-roots. Fourth, we establish that KT applied to a sum of the target and power kernels (a procedure we call KT+) simultaneously inherits the improved MMD guarantees of power KT and the tighter individual function guarantees of target KT. In our experiments with target KT and KT+, we witness significant improvements in integration error even in 100 dimensions and when compressing challenging differential equation posteriors.

We introduce methods for obtaining pretrained Geometric Neural Operators (GNPs) that can serve as basal foundation models for use in obtaining geometric features. These can be used within data processing pipelines for machine learning tasks and numerical methods. We show how our GNPs can be trained to learn robust latent representations for the differential geometry of point-clouds to provide estimates of metric, curvature, and other shape-related features. We demonstrate how our pre-trained GNPs can be used (i) to estimate the geometric properties of surfaces of arbitrary shape and topologies with robustness in the presence of noise, (ii) to approximate solutions of geometric partial differential equations (PDEs) on manifolds, and (iii) to solve equations for shape deformations such as curvature driven flows. We release codes and weights for using GNPs in the package geo_neural_op. This allows for incorporating our pre-trained GNPs as components for reuse within existing and new data processing pipelines. The GNPs also can be used as part of numerical solvers involving geometry or as part of methods for performing inference and other geometric tasks.

Differential geometric approaches to the analysis and processing of data in the form of symmetric positive definite (SPD) matrices have had notable successful applications to numerous fields including computer vision, medical imaging, and machine learning. The dominant geometric paradigm for such applications has consisted of a few Riemannian geometries associated with spectral computations that are costly at high scale and in high dimensions. We present a route to a scalable geometric framework for the analysis and processing of SPD-valued data based on the efficient computation of extreme generalized eigenvalues through the Hilbert and Thompson geometries of the semidefinite cone. We explore a particular geodesic space structure based on Thompson geometry in detail and establish several properties associated with this structure. Furthermore, we define a novel iterative mean of SPD matrices based on this geometry and prove its existence and uniqueness for a given finite collection of points. Finally, we state and prove a number of desirable properties that are satisfied by this mean.

Empirical neural tangent kernels (eNTKs) can provide a good understanding of a given network's representation: they are often far less expensive to compute and applicable more broadly than infinite width NTKs. For networks with O output units (e.g. an O-class classifier), however, the eNTK on N inputs is of size NO times NO, taking O((NO)^2) memory and up to O((NO)^3) computation. Most existing applications have therefore used one of a handful of approximations yielding N times N kernel matrices, saving orders of magnitude of computation, but with limited to no justification. We prove that one such approximation, which we call "sum of logits", converges to the true eNTK at initialization for any network with a wide final "readout" layer. Our experiments demonstrate the quality of this approximation for various uses across a range of settings.

At initialization, artificial neural networks (ANNs) are equivalent to Gaussian processes in the infinite-width limit, thus connecting them to kernel methods. We prove that the evolution of an ANN during training can also be described by a kernel: during gradient descent on the parameters of an ANN, the network function f_theta (which maps input vectors to output vectors) follows the kernel gradient of the functional cost (which is convex, in contrast to the parameter cost) w.r.t. a new kernel: the Neural Tangent Kernel (NTK). This kernel is central to describe the generalization features of ANNs. While the NTK is random at initialization and varies during training, in the infinite-width limit it converges to an explicit limiting kernel and it stays constant during training. This makes it possible to study the training of ANNs in function space instead of parameter space. Convergence of the training can then be related to the positive-definiteness of the limiting NTK. We prove the positive-definiteness of the limiting NTK when the data is supported on the sphere and the non-linearity is non-polynomial. We then focus on the setting of least-squares regression and show that in the infinite-width limit, the network function f_theta follows a linear differential equation during training. The convergence is fastest along the largest kernel principal components of the input data with respect to the NTK, hence suggesting a theoretical motivation for early stopping. Finally we study the NTK numerically, observe its behavior for wide networks, and compare it to the infinite-width limit.

We consider the problem of approximating a function from L^2 by an element of a given m-dimensional space V_m, associated with some feature map varphi, using evaluations of the function at random points x_1,dots,x_n. After recalling some results on optimal weighted least-squares using independent and identically distributed points, we consider weighted least-squares using projection determinantal point processes (DPP) or volume sampling. These distributions introduce dependence between the points that promotes diversity in the selected features varphi(x_i). We first provide a generalized version of volume-rescaled sampling yielding quasi-optimality results in expectation with a number of samples n = O(mlog(m)), that means that the expected L^2 error is bounded by a constant times the best approximation error in L^2. Also, further assuming that the function is in some normed vector space H continuously embedded in L^2, we further prove that the approximation is almost surely bounded by the best approximation error measured in the H-norm. This includes the cases of functions from L^infty or reproducing kernel Hilbert spaces. Finally, we present an alternative strategy consisting in using independent repetitions of projection DPP (or volume sampling), yielding similar error bounds as with i.i.d. or volume sampling, but in practice with a much lower number of samples. Numerical experiments illustrate the performance of the different strategies.

Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.

Machine learning (ML) holds great promise for extracting insights from complex quantum many-body data obtained in quantum experiments. This approach can efficiently solve certain quantum problems that are classically intractable, suggesting potential advantages of harnessing quantum data. However, addressing large-scale problems still requires significant amounts of data beyond the limited computational resources of near-term quantum devices. We propose a scalable ML framework called Geometrically Local Quantum Kernel (GLQK), designed to efficiently learn quantum many-body experimental data by leveraging the exponential decay of correlations, a phenomenon prevalent in noncritical systems. In the task of learning an unknown polynomial of quantum expectation values, we rigorously prove that GLQK substantially improves polynomial sample complexity in the number of qubits n, compared to the existing shadow kernel, by constructing a feature space from local quantum information at the correlation length scale. This improvement is particularly notable when each term of the target polynomial involves few local subsystems. Remarkably, for translationally symmetric data, GLQK achieves constant sample complexity, independent of n. We numerically demonstrate its high scalability in two learning tasks on quantum many-body phenomena. These results establish new avenues for utilizing experimental data to advance the understanding of quantum many-body physics.

Finding the mode of a high dimensional probability distribution D is a fundamental algorithmic problem in statistics and data analysis. There has been particular interest in efficient methods for solving the problem when D is represented as a mixture model or kernel density estimate, although few algorithmic results with worst-case approximation and runtime guarantees are known. In this work, we significantly generalize a result of (LeeLiMusco:2021) on mode approximation for Gaussian mixture models. We develop randomized dimensionality reduction methods for mixtures involving a broader class of kernels, including the popular logistic, sigmoid, and generalized Gaussian kernels. As in Lee et al.'s work, our dimensionality reduction results yield quasi-polynomial algorithms for mode finding with multiplicative accuracy (1-epsilon) for any epsilon > 0. Moreover, when combined with gradient descent, they yield efficient practical heuristics for the problem. In addition to our positive results, we prove a hardness result for box kernels, showing that there is no polynomial time algorithm for finding the mode of a kernel density estimate, unless P = NP. Obtaining similar hardness results for kernels used in practice (like Gaussian or logistic kernels) is an interesting future direction.

A recent trend in explainable AI research has focused on surrogate modeling, where neural networks are approximated as simpler ML algorithms such as kernel machines. A second trend has been to utilize kernel functions in various explain-by-example or data attribution tasks. In this work, we combine these two trends to analyze approximate empirical neural tangent kernels (eNTK) for data attribution. Approximation is critical for eNTK analysis due to the high computational cost to compute the eNTK. We define new approximate eNTK and perform novel analysis on how well the resulting kernel machine surrogate models correlate with the underlying neural network. We introduce two new random projection variants of approximate eNTK which allow users to tune the time and memory complexity of their calculation. We conclude that kernel machines using approximate neural tangent kernel as the kernel function are effective surrogate models, with the introduced trace NTK the most consistent performer. Open source software allowing users to efficiently calculate kernel functions in the PyTorch framework is available (https://github.com/pnnl/projection\_ntk).

Multimodal large language models (MLLMs) have made significant progress in integrating visual and linguistic understanding. Existing benchmarks typically focus on high-level semantic capabilities, such as scene understanding and visual reasoning, but often overlook a crucial, foundational ability: geometric perception. Geometric perception involves understanding geometric shapes, structures, and spatial relationships, which are essential for supporting higher-level semantic tasks. Despite its importance, this capability remains underexplored in current MLLM research. To address this gap, we introduce GePBench, a novel benchmark designed to assess the geometric perception abilities of MLLMs. Our extensive evaluations reveal that current state-of-the-art MLLMs exhibit significant deficiencies in geometric perception tasks. Furthermore, we show that models trained with GePBench data demonstrate substantial improvements on a wide range of benchmark tasks, highlighting the critical role of geometric perception in enabling advanced multimodal applications. Our code and datasets will be publicly available.

We introduce an inference-time scene optimization algorithm utilizing triangle soup, a collection of disconnected translucent triangle primitives, as the representation for the geometry and appearance of a scene. Unlike full-rank Gaussian kernels, triangles are a natural, locally-flat proxy for surfaces that can be connected to achieve highly complex geometry. When coupled with per-vertex Spherical Harmonics (SH), triangles provide a rich visual representation without incurring an expensive increase in primitives. We leverage our new representation to incorporate optimization objectives and enforce spatial regularization directly on the underlying primitives. The main differentiator of our approach is the definition and enforcement of soft connectivity forces between triangles during optimization, encouraging explicit, but soft, surface continuity in 3D. Experiments on representative 3D reconstruction and novel view synthesis datasets show improvements in geometric accuracy compared to current state-of-the-art algorithms without sacrificing visual fidelity.

Kernel online convex optimization (KOCO) is a framework combining the expressiveness of non-parametric kernel models with the regret guarantees of online learning. First-order KOCO methods such as functional gradient descent require only O(t) time and space per iteration, and, when the only information on the losses is their convexity, achieve a minimax optimal O(T) regret. Nonetheless, many common losses in kernel problems, such as squared loss, logistic loss, and squared hinge loss posses stronger curvature that can be exploited. In this case, second-order KOCO methods achieve O(log(Det(K))) regret, which we show scales as O(d_{eff}log T), where d_{eff} is the effective dimension of the problem and is usually much smaller than O(T). The main drawback of second-order methods is their much higher O(t^2) space and time complexity. In this paper, we introduce kernel online Newton step (KONS), a new second-order KOCO method that also achieves O(d_{eff}log T) regret. To address the computational complexity of second-order methods, we introduce a new matrix sketching algorithm for the kernel matrix K_t, and show that for a chosen parameter γleq 1 our Sketched-KONS reduces the space and time complexity by a factor of γ^2 to O(t^2γ^2) space and time per iteration, while incurring only 1/γ times more regret.

Generalization, the ability to perform well beyond the training context, is a hallmark of biological and artificial intelligence, yet anticipating unseen failures remains a central challenge. Conventional approaches often take a ``bottom-up'' mechanistic route by reverse-engineering interpretable features or circuits to build explanatory models. While insightful, these methods often struggle to provide the high-level, predictive signals for anticipating failure in real-world deployment. Here, we propose using a ``top-down'' approach to studying generalization failures inspired by medical biomarkers: identifying system-level measurements that serve as robust indicators of a model's future performance. Rather than mapping out detailed internal mechanisms, we systematically design and test network markers to probe structure, function links, identify prognostic indicators, and validate predictions in real-world settings. In image classification, we find that task-relevant geometric properties of in-distribution (ID) object manifolds consistently forecast poor out-of-distribution (OOD) generalization. In particular, reductions in two geometric measures, effective manifold dimensionality and utility, predict weaker OOD performance across diverse architectures, optimizers, and datasets. We apply this finding to transfer learning with ImageNet-pretrained models. We consistently find that the same geometric patterns predict OOD transfer performance more reliably than ID accuracy. This work demonstrates that representational geometry can expose hidden vulnerabilities, offering more robust guidance for model selection and AI interpretability.

We present Simplex Random Features (SimRFs), a new random feature (RF) mechanism for unbiased approximation of the softmax and Gaussian kernels by geometrical correlation of random projection vectors. We prove that SimRFs provide the smallest possible mean square error (MSE) on unbiased estimates of these kernels among the class of weight-independent geometrically-coupled positive random feature (PRF) mechanisms, substantially outperforming the previously most accurate Orthogonal Random Features at no observable extra cost. We present a more computationally expensive SimRFs+ variant, which we prove is asymptotically optimal in the broader family of weight-dependent geometrical coupling schemes (which permit correlations between random vector directions and norms). In extensive empirical studies, we show consistent gains provided by SimRFs in settings including pointwise kernel estimation, nonparametric classification and scalable Transformers.

Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR

We consider a number of graph kernels and proximity measures including commute time kernel, regularized Laplacian kernel, heat kernel, exponential diffusion kernel (also called "communicability"), etc., and the corresponding distances as applied to clustering nodes in random graphs and several well-known datasets. The model of generating random graphs involves edge probabilities for the pairs of nodes that belong to the same class or different predefined classes of nodes. It turns out that in most cases, logarithmic measures (i.e., measures resulting after taking logarithm of the proximities) perform better while distinguishing underlying classes than the "plain" measures. A comparison in terms of reject curves of inter-class and intra-class distances confirms this conclusion. A similar conclusion can be made for several well-known datasets. A possible origin of this effect is that most kernels have a multiplicative nature, while the nature of distances used in cluster algorithms is an additive one (cf. the triangle inequality). The logarithmic transformation is a tool to transform the first nature to the second one. Moreover, some distances corresponding to the logarithmic measures possess a meaningful cutpoint additivity property. In our experiments, the leader is usually the logarithmic Communicability measure. However, we indicate some more complicated cases in which other measures, typically, Communicability and plain Walk, can be the winners.

In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.

The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.

Large language models (LLMs) have shown remarkable proficiency in human-level reasoning and generation capabilities, which encourages extensive research on their application in mathematical problem solving. However, current work has been largely focused on text-based mathematical problems, with limited investigation in problems involving geometric information. Addressing this gap, we aim to enable LLMs to solve geometric problems by understanding image input. We first analyze the limitations of current Multimodal Large Language Models (MLLMs) in this area: they struggle to accurately comprehending basic geometric elements and their relationships. To overcome these challenges, we take advantage of the unique characteristics of geometric problems (such as unique geometric logical form, and geometric scalability) and the capacity of the textual LLMs to build an enriched multimodal geometry dataset based on existing data. The augmented dataset, Geo170K, contains more than 170K geometric image-caption and question-answer pairs. Utilizing our constructed Geo170K dataset, we develop G-LLaVA, which demonstrates exceptional performance in solving geometric problems, significantly outperforming GPT-4-V on the MathVista benchmark with only 7B parameters.

In machine learning, there is a long history of trying to build neural networks that can learn from fewer example data by baking in strong geometric priors. However, it is not always clear a priori what geometric constraints are appropriate for a given task. Here, we explore the possibility that one can uncover useful geometric inductive biases by studying how training molds the Riemannian geometry induced by unconstrained neural network feature maps. We first show that at infinite width, neural networks with random parameters induce highly symmetric metrics on input space. This symmetry is broken by feature learning: networks trained to perform classification tasks learn to magnify local areas along decision boundaries. This holds in deep networks trained on high-dimensional image classification tasks, and even in self-supervised representation learning. These results begin to elucidate how training shapes the geometry induced by unconstrained neural network feature maps, laying the groundwork for an understanding of this richly nonlinear form of feature learning.

A neural architecture with randomly initialized weights, in the infinite width limit, is equivalent to a Gaussian Random Field whose covariance function is the so-called Neural Network Gaussian Process kernel (NNGP). We prove that a reproducing kernel Hilbert space (RKHS) defined by the NNGP contains only functions that can be approximated by the architecture. To achieve a certain approximation error the required number of neurons in each layer is defined by the RKHS norm of the target function. Moreover, the approximation can be constructed from a supervised dataset by a random multi-layer representation of an input vector, together with training of the last layer's weights. For a 2-layer NN and a domain equal to an n-1-dimensional sphere in {mathbb R}^n, we compare the number of neurons required by Barron's theorem and by the multi-layer features construction. We show that if eigenvalues of the integral operator of the NNGP decay slower than k^{-n-2{3}} where k is an order of an eigenvalue, then our theorem guarantees a more succinct neural network approximation than Barron's theorem. We also make some computational experiments to verify our theoretical findings. Our experiments show that realistic neural networks easily learn target functions even when both theorems do not give any guarantees.

We introduce randomized algorithms to Clifford's Geometric Algebra, generalizing randomized linear algebra to hypercomplex vector spaces. This novel approach has many implications in machine learning, including training neural networks to global optimality via convex optimization. Additionally, we consider fine-tuning large language model (LLM) embeddings as a key application area, exploring the intersection of geometric algebra and modern AI techniques. In particular, we conduct a comparative analysis of the robustness of transfer learning via embeddings, such as OpenAI GPT models and BERT, using traditional methods versus our novel approach based on convex optimization. We test our convex optimization transfer learning method across a variety of case studies, employing different embeddings (GPT-4 and BERT embeddings) and different text classification datasets (IMDb, Amazon Polarity Dataset, and GLUE) with a range of hyperparameter settings. Our results demonstrate that convex optimization and geometric algebra not only enhances the performance of LLMs but also offers a more stable and reliable method of transfer learning via embeddings.

We study the problem of recovering low-dimensional latent geometry from a random geometric graph generated by noisy, high-dimensional data. Specifically, we analyze the performance of a spectral embedding algorithm on the Signal+Noise Graph Model, in which vertices are associated to points perturbed by Gaussian noise, and edges are included for pairs whose inner product exceeds a specified alignment threshold. In the high-dimensional regime where the number n of points and the ambient dimension d both tend to infinity, we show that under a spectral gap condition, the top eigenvectors and eigenvalues of the graph's adjacency matrix can be used to approximately recover the point cloud up to an orthogonal transformation. We illustrate our results on point clouds sampled from nested spheres and high-dimensional sinusoid curves.

We propose a new class of linear-time attention mechanisms based on a relaxed and computationally efficient formulation of the recently introduced E-Product, often referred to as the Yat-kernel (Bouhsine, 2025). The resulting interactions are geometry-aware and inspired by inverse-square interactions in physics. Our method, Spherical Linearized Attention with Yat Kernels (SLAY), constrains queries and keys to the unit sphere so that attention depends only on angular alignment. Using Bernstein's theorem, we express the spherical Yat-kernel as a nonnegative mixture of polynomial-exponential product kernels and derive a strictly positive random-feature approximation enabling linear-time O(L) attention. We establish positive definiteness and boundedness on the sphere and show that the estimator yields well-defined, nonnegative attention scores. Empirically, SLAY achieves performance that is nearly indistinguishable from standard softmax attention while retaining linear time and memory scaling, and consistently outperforms prior linear-time attention mechanisms such as Performers and Cosformers. To the best of our knowledge, SLAY represents the closest linear-time approximation to softmax attention reported to date, enabling scalable Transformers without the typical performance trade-offs of attention linearization.

Neural tangent kernels (NTKs) are a powerful tool for analyzing deep, non-linear neural networks. In the infinite-width limit, NTKs can easily be computed for most common architectures, yielding full analytic control over the training dynamics. However, at infinite width, important properties of training such as NTK evolution or feature learning are absent. Nevertheless, finite width effects can be included by computing corrections to the Gaussian statistics at infinite width. We introduce Feynman diagrams for computing finite-width corrections to NTK statistics. These dramatically simplify the necessary algebraic manipulations and enable the computation of layer-wise recursion relations for arbitrary statistics involving preactivations, NTKs and certain higher-derivative tensors (dNTK and ddNTK) required to predict the training dynamics at leading order. We demonstrate the feasibility of our framework by extending stability results for deep networks from preactivations to NTKs and proving the absence of finite-width corrections for scale-invariant nonlinearities such as ReLU on the diagonal of the Gram matrix of the NTK. We numerically implement the complete set of equations necessary to compute the first-order corrections for arbitrary inputs and demonstrate that the results follow the statistics of sampled neural networks for widths ngtrsim 20.

Distances between probability distributions that take into account the geometry of their sample space,like the Wasserstein or the Maximum Mean Discrepancy (MMD) distances have received a lot of attention in machine learning as they can, for instance, be used to compare probability distributions with disjoint supports. In this paper, we study a class of statistical Hilbert distances that we term the Schoenberg-Rao distances, a generalization of the MMD that allows one to consider a broader class of kernels, namely the conditionally negative semi-definite kernels. In particular, we introduce a principled way to construct such kernels and derive novel closed-form distances between mixtures of Gaussian distributions. These distances, derived from the concave Rao's quadratic entropy, enjoy nice theoretical properties and possess interpretable hyperparameters which can be tuned for specific applications. Our method constitutes a practical alternative to Wasserstein distances and we illustrate its efficiency on a broad range of machine learning tasks such as density estimation, generative modeling and mixture simplification.

This paper studies the online node classification problem under a transductive learning setting. Current methods either invert a graph kernel matrix with O(n^3) runtime and O(n^2) space complexity or sample a large volume of random spanning trees, thus are difficult to scale to large graphs. In this work, we propose an improvement based on the online relaxation technique introduced by a series of works (Rakhlin et al.,2012; Rakhlin and Sridharan, 2015; 2017). We first prove an effective regret O(n^{1+gamma}) when suitable parameterized graph kernels are chosen, then propose an approximate algorithm FastONL enjoying O(kn^{1+gamma}) regret based on this relaxation. The key of FastONL is a generalized local push method that effectively approximates inverse matrix columns and applies to a series of popular kernels. Furthermore, the per-prediction cost is O(vol({S})log 1/epsilon) locally dependent on the graph with linear memory cost. Experiments show that our scalable method enjoys a better tradeoff between local and global consistency.

Gaussian processes (GPs) are popular nonparametric statistical models for learning unknown functions and quantifying the spatiotemporal uncertainty in data. Recent works have extended GPs to model scalar and vector quantities distributed over non-Euclidean domains, including smooth manifolds appearing in numerous fields such as computer vision, dynamical systems, and neuroscience. However, these approaches assume that the manifold underlying the data is known, limiting their practical utility. We introduce RVGP, a generalisation of GPs for learning vector signals over latent Riemannian manifolds. Our method uses positional encoding with eigenfunctions of the connection Laplacian, associated with the tangent bundle, readily derived from common graph-based approximation of data. We demonstrate that RVGP possesses global regularity over the manifold, which allows it to super-resolve and inpaint vector fields while preserving singularities. Furthermore, we use RVGP to reconstruct high-density neural dynamics derived from low-density EEG recordings in healthy individuals and Alzheimer's patients. We show that vector field singularities are important disease markers and that their reconstruction leads to a comparable classification accuracy of disease states to high-density recordings. Thus, our method overcomes a significant practical limitation in experimental and clinical applications.

Matrix manifolds, such as manifolds of Symmetric Positive Definite (SPD) matrices and Grassmann manifolds, appear in many applications. Recently, by applying the theory of gyrogroups and gyrovector spaces that is a powerful framework for studying hyperbolic geometry, some works have attempted to build principled generalizations of Euclidean neural networks on matrix manifolds. However, due to the lack of many concepts in gyrovector spaces for the considered manifolds, e.g., the inner product and gyroangles, techniques and mathematical tools provided by these works are still limited compared to those developed for studying hyperbolic geometry. In this paper, we generalize some notions in gyrovector spaces for SPD and Grassmann manifolds, and propose new models and layers for building neural networks on these manifolds. We show the effectiveness of our approach in two applications, i.e., human action recognition and knowledge graph completion.

Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.

We propose a novel random walk-based algorithm for unbiased estimation of arbitrary functions of a weighted adjacency matrix, coined universal graph random features (u-GRFs). This includes many of the most popular examples of kernels defined on the nodes of a graph. Our algorithm enjoys subquadratic time complexity with respect to the number of nodes, overcoming the notoriously prohibitive cubic scaling of exact graph kernel evaluation. It can also be trivially distributed across machines, permitting learning on much larger networks. At the heart of the algorithm is a modulation function which upweights or downweights the contribution from different random walks depending on their lengths. We show that by parameterising it with a neural network we can obtain u-GRFs that give higher-quality kernel estimates or perform efficient, scalable kernel learning. We provide robust theoretical analysis and support our findings with experiments including pointwise estimation of fixed graph kernels, solving non-homogeneous graph ordinary differential equations, node clustering and kernel regression on triangular meshes.

Due to high utility in many applications, from social networks to blockchain to power grids, deep learning on non-Euclidean objects such as graphs and manifolds, coined Geometric Deep Learning (GDL), continues to gain an ever increasing interest. We propose a new L\'evy Flights Graph Convolutional Networks (LFGCN) method for semi-supervised learning, which casts the L\'evy Flights into random walks on graphs and, as a result, allows both to accurately account for the intrinsic graph topology and to substantially improve classification performance, especially for heterogeneous graphs. Furthermore, we propose a new preferential P-DropEdge method based on the Girvan-Newman argument. That is, in contrast to uniform removing of edges as in DropEdge, following the Girvan-Newman algorithm, we detect network periphery structures using information on edge betweenness and then remove edges according to their betweenness centrality. Our experimental results on semi-supervised node classification tasks demonstrate that the LFGCN coupled with P-DropEdge accelerates the training task, increases stability and further improves predictive accuracy of learned graph topology structure. Finally, in our case studies we bring the machinery of LFGCN and other deep networks tools to analysis of power grid networks - the area where the utility of GDL remains untapped.

Multimodal Large Language Models (MLLMs) have achieved remarkable progress in 2D visual tasks but still exhibit limited physical spatial awareness when processing real-world visual streams. Recently, feed-forward geometric foundation models, which implicitly extract geometric priors, have provided a new pathway to address this issue. However, existing geometry-aware MLLMs are predominantly constrained by the paradigm of single deep-layer extraction and input-level fusion. This flattened fusion leads to the loss of local geometric details and causes semantic mismatches in the early layers. To break this bottleneck, we propose GUIDE (Geometric Unrolling Inside MLLM Early-layers), a progressive geometric priors injection framework. GUIDE performs multi-level sampling within the geometric encoder, comprehensively capturing multi-granularity features ranging from local edges to global topologies. Subsequently, we rigorously align and fuse these multi-level geometric priors step-by-step with the early layers of the MLLM. Building upon the injection of multi-granularity geometric information, this design guides the model to progressively learn the 2D-to-3D transitional process. Furthermore, we introduce a context-aware gating that enables the model to fetch requisite spatial cues based on current semantics, thereby maximizing the utilization efficiency of spatial priors and effectively suppressing redundant geometric noise. Extensive experiments demonstrate that GUIDE significantly outperforms existing baselines on multiple complex spatial reasoning and perception tasks, establishing a novel paradigm for integrating 3D geometric priors into large models.

Faithful visualizations of data residing on manifolds must take the underlying geometry into account when producing a flat planar view of the data. In this paper, we extend the classic stochastic neighbor embedding (SNE) algorithm to data on general Riemannian manifolds. We replace standard Gaussian assumptions with Riemannian diffusion counterparts and propose an efficient approximation that only requires access to calculations of Riemannian distances and volumes. We demonstrate that the approach also allows for mapping data from one manifold to another, e.g. from a high-dimensional sphere to a low-dimensional one.

We introduce a new approach to nonlinear sufficient dimension reduction in cases where both the predictor and the response are distributional data, modeled as members of a metric space. Our key step is to build universal kernels (cc-universal) on the metric spaces, which results in reproducing kernel Hilbert spaces for the predictor and response that are rich enough to characterize the conditional independence that determines sufficient dimension reduction. For univariate distributions, we construct the universal kernel using the Wasserstein distance, while for multivariate distributions, we resort to the sliced Wasserstein distance. The sliced Wasserstein distance ensures that the metric space possesses similar topological properties to the Wasserstein space while also offering significant computation benefits. Numerical results based on synthetic data show that our method outperforms possible competing methods. The method is also applied to several data sets, including fertility and mortality data and Calgary temperature data.

Motivated by the problem of fast processing of attention matrices, we study fast algorithms for computing matrix-vector products for asymmetric Gaussian Kernel matrices Kin R^{ntimes n}. K's columns are indexed by a set of n keys k_1,k_2ldots, k_nin R^d, rows by a set of n queries q_1,q_2,ldots,q_nin R^d , and its i,j entry is K_{ij} = e^{-|q_i-k_j|_2^2/2sigma^2} for some bandwidth parameter sigma>0. Given a vector xin R^n and error parameter epsilon>0, our task is to output a yin R^n such that |Kx-y|_2leq epsilon |x|_2 in time subquadratic in n and linear in d. Our algorithms rely on the following modelling assumption about the matrices K: the sum of the entries of K scales linearly in n, as opposed to worst case quadratic growth. We validate this assumption experimentally, for Gaussian kernel matrices encountered in various settings such as fast attention computation in LLMs. We obtain the first subquadratic-time algorithm that works under this assumption, for unrestricted vectors.

In this paper we demonstrate how sub-Riemannian geometry can be used for manifold learning and surface reconstruction by combining local linear approximations of a point cloud to obtain lower dimensional bundles. Local approximations obtained by local PCAs are collected into a rank k tangent subbundle on R^d, k<d, which we call a principal subbundle. This determines a sub-Riemannian metric on R^d. We show that sub-Riemannian geodesics with respect to this metric can successfully be applied to a number of important problems, such as: explicit construction of an approximating submanifold M, construction of a representation of the point-cloud in R^k, and computation of distances between observations, taking the learned geometry into account. The reconstruction is guaranteed to equal the true submanifold in the limit case where tangent spaces are estimated exactly. Via simulations, we show that the framework is robust when applied to noisy data. Furthermore, the framework generalizes to observations on an a priori known Riemannian manifold.

Covariance matrices have proven highly effective across many scientific fields. Since these matrices lie within the Symmetric Positive Definite (SPD) manifold - a Riemannian space with intrinsic non-Euclidean geometry, the primary challenge in representation learning is to respect this underlying geometric structure. Drawing inspiration from the success of Euclidean deep learning, researchers have developed neural networks on the SPD manifolds for more faithful covariance embedding learning. A notable advancement in this area is the implementation of Riemannian batch normalization (RBN), which has been shown to improve the performance of SPD network models. Nonetheless, the Riemannian metric beneath the existing RBN might fail to effectively deal with the ill-conditioned SPD matrices (ICSM), undermining the effectiveness of RBN. In contrast, the Bures-Wasserstein metric (BWM) demonstrates superior performance for ill-conditioning. In addition, the recently introduced Generalized BWM (GBWM) parameterizes the vanilla BWM via an SPD matrix, allowing for a more nuanced representation of vibrant geometries of the SPD manifold. Therefore, we propose a novel RBN algorithm based on the GBW geometry, incorporating a learnable metric parameter. Moreover, the deformation of GBWM by matrix power is also introduced to further enhance the representational capacity of GBWM-based RBN. Experimental results on different datasets validate the effectiveness of our proposed method.

This paper presents GPSM4K, a comprehensive geometry multimodal dataset tailored to augment the problem-solving capabilities of Large Vision Language Models (LVLMs). GPSM4K encompasses 2157 multimodal question-answer pairs manually extracted from mathematics textbooks spanning grades 7-12 and is further augmented to 5340 problems, consisting of both numerical and theorem-proving questions. In contrast to PGPS9k, Geometry3K, and Geo170K which feature only objective-type questions, GPSM4K offers detailed step-by-step solutions in a consistent format, facilitating a comprehensive evaluation of problem-solving approaches. This dataset serves as an excellent benchmark for assessing the geometric reasoning capabilities of LVLMs. Evaluation of our test set shows that there is scope for improvement needed in open-source language models in geometry problem-solving. Finetuning on our training set increases the geometry problem-solving capabilities of models. Further, We also evaluate the effectiveness of techniques such as image captioning and Retrieval Augmentation generation (RAG) on model performance. We leveraged LLM to automate the task of final answer evaluation by providing ground truth and predicted solutions. This research will help to assess and improve the geometric reasoning capabilities of LVLMs.

Mathematics olympiads are prestigious competitions, with problem proposing and solving highly honored. Building artificial intelligence that proposes and solves olympiads presents an unresolved challenge in automated theorem discovery and proving, especially in geometry for its combination of numerical and spatial elements. We introduce TongGeometry, a Euclidean geometry system supporting tree-search-based guided problem proposing and solving. The efficient geometry system establishes the most extensive repository of geometry theorems to date: within the same computational budget as the existing state-of-the-art, TongGeometry discovers 6.7 billion geometry theorems requiring auxiliary constructions, including 4.1 billion exhibiting geometric symmetry. Among them, 10 theorems were proposed to regional mathematical olympiads with 3 of TongGeometry's proposals selected in real competitions, earning spots in a national team qualifying exam or a top civil olympiad in China and the US. Guided by fine-tuned large language models, TongGeometry solved all International Mathematical Olympiad geometry in IMO-AG-30, outperforming gold medalists for the first time. It also surpasses the existing state-of-the-art across a broader spectrum of olympiad-level problems. The full capabilities of the system can be utilized on a consumer-grade machine, making the model more accessible and fostering widespread democratization of its use. By analogy, unlike existing systems that merely solve problems like students, TongGeometry acts like a geometry coach, discovering, presenting, and proving theorems.

We introduce a generalized attention mechanism for spherical domains, enabling Transformer architectures to natively process data defined on the two-dimensional sphere - a critical need in fields such as atmospheric physics, cosmology, and robotics, where preserving spherical symmetries and topology is essential for physical accuracy. By integrating numerical quadrature weights into the attention mechanism, we obtain a geometrically faithful spherical attention that is approximately rotationally equivariant, providing strong inductive biases and leading to better performance than Cartesian approaches. To further enhance both scalability and model performance, we propose neighborhood attention on the sphere, which confines interactions to geodesic neighborhoods. This approach reduces computational complexity and introduces the additional inductive bias for locality, while retaining the symmetry properties of our method. We provide optimized CUDA kernels and memory-efficient implementations to ensure practical applicability. The method is validated on three diverse tasks: simulating shallow water equations on the rotating sphere, spherical image segmentation, and spherical depth estimation. Across all tasks, our spherical Transformers consistently outperform their planar counterparts, highlighting the advantage of geometric priors for learning on spherical domains.

Kernel methods are widely used in machine learning, especially for classification problems. However, the theoretical analysis of kernel classification is still limited. This paper investigates the statistical performances of kernel classifiers. With some mild assumptions on the conditional probability eta(x)=P(Y=1mid X=x), we derive an upper bound on the classification excess risk of a kernel classifier using recent advances in the theory of kernel regression. We also obtain a minimax lower bound for Sobolev spaces, which shows the optimality of the proposed classifier. Our theoretical results can be extended to the generalization error of overparameterized neural network classifiers. To make our theoretical results more applicable in realistic settings, we also propose a simple method to estimate the interpolation smoothness of 2eta(x)-1 and apply the method to real datasets.

Given the damping factor α and precision tolerance ε, andersen2006local introduced Approximate Personalized PageRank (APPR), the de facto local method for approximating the PPR vector, with runtime bounded by Θ(1/(αε)) independent of the graph size. Recently, fountoulakis2022open asked whether faster local algorithms could be developed using O(1/(sqrtαε)) operations. By noticing that APPR is a local variant of Gauss-Seidel, this paper explores the question of whether standard iterative solvers can be effectively localized. We propose to use the locally evolving set process, a novel framework to characterize the algorithm locality, and demonstrate that many standard solvers can be effectively localized. Let operatorname{vol}{ (S_t)} and overlineγ_{t} be the running average of volume and the residual ratio of active nodes textstyle S_{t} during the process. We show operatorname{vol}{ (S_t)}/overlineγ_{t} leq 1/ε and prove APPR admits a new runtime bound O(operatorname{vol}(S_t)/(αoverlineγ_{t})) mirroring the actual performance. Furthermore, when the geometric mean of residual reduction is Θ(sqrtα), then there exists c in (0,2) such that the local Chebyshev method has runtime O(operatorname{vol}(S_{t})/(sqrtα(2-c))) without the monotonicity assumption. Numerical results confirm the efficiency of this novel framework and show up to a hundredfold speedup over corresponding standard solvers on real-world graphs.

Recently, 3D Gaussian splatting (3D-GS) has achieved great success in reconstructing and rendering real-world scenes. To transfer the high rendering quality to generation tasks, a series of research works attempt to generate 3D-Gaussian assets from text. However, the generated assets have not achieved the same quality as those in reconstruction tasks. We observe that Gaussians tend to grow without control as the generation process may cause indeterminacy. Aiming at highly enhancing the generation quality, we propose a novel framework named GaussianDreamerPro. The main idea is to bind Gaussians to reasonable geometry, which evolves over the whole generation process. Along different stages of our framework, both the geometry and appearance can be enriched progressively. The final output asset is constructed with 3D Gaussians bound to mesh, which shows significantly enhanced details and quality compared with previous methods. Notably, the generated asset can also be seamlessly integrated into downstream manipulation pipelines, e.g. animation, composition, and simulation etc., greatly promoting its potential in wide applications. Demos are available at https://taoranyi.com/gaussiandreamerpro/.

The Laplace-Beltrami operator (LBO) emerges from studying manifolds equipped with a Riemannian metric. It is often called the Swiss army knife of geometry processing as it allows to capture intrinsic shape information and gives rise to heat diffusion, geodesic distances, and a multitude of shape descriptors. It also plays a central role in geometric deep learning. In this work, we explore Finsler manifolds as a generalization of Riemannian manifolds. We revisit the Finsler heat equation and derive a Finsler heat kernel and a Finsler-Laplace-Beltrami Operator (FLBO): a novel theoretically justified anisotropic Laplace-Beltrami operator (ALBO). In experimental evaluations we demonstrate that the proposed FLBO is a valuable alternative to the traditional Riemannian-based LBO and ALBOs for spatial filtering and shape correspondence estimation. We hope that the proposed Finsler heat kernel and the FLBO will inspire further exploration of Finsler geometry in the computer vision community.

Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.

Large language models have seen widespread adoption in math problem-solving. However, in geometry problems that usually require visual aids for better understanding, even the most advanced multi-modal models currently still face challenges in effectively using image information. High-quality data is crucial for enhancing the geometric capabilities of multi-modal models, yet existing open-source datasets and related efforts are either too challenging for direct model learning or suffer from misalignment between text and images. To overcome this issue, we introduce a novel pipeline that leverages GPT-4 and GPT-4V to generate relatively basic geometry problems with aligned text and images, facilitating model learning. We have produced a dataset of 4.9K geometry problems and combined it with 19K open-source data to form our GeoGPT4V dataset. Experimental results demonstrate that the GeoGPT4V dataset significantly improves the geometry performance of various models on the MathVista and MathVision benchmarks. The code is available at https://github.com/Lanyu0303/GeoGPT4V_Project

The aerodynamic coefficients of aircrafts are significantly impacted by its geometry, especially when the angle of attack (AoA) is large. In the field of aerodynamics, traditional polynomial-based parameterization uses as few parameters as possible to describe the geometry of an airfoil. However, because the 3D geometry of a wing is more complicated than the 2D airfoil, polynomial-based parameterizations have difficulty in accurately representing the entire shape of a wing in 3D space. Existing deep learning-based methods can extract massive latent neural representations for the shape of 2D airfoils or 2D slices of wings. Recent studies highlight that directly taking geometric features as inputs to the neural networks can improve the accuracy of predicted aerodynamic coefficients. Motivated by geometry theory, we propose to incorporate Riemannian geometric features for learning Coefficient of Pressure (CP) distributions on wing surfaces. Our method calculates geometric features (Riemannian metric, connection, and curvature) and further inputs the geometric features, coordinates and flight conditions into a deep learning model to predict the CP distribution. Experimental results show that our method, compared to state-of-the-art Deep Attention Network (DAN), reduces the predicted mean square error (MSE) of CP by an average of 8.41% for the DLR-F11 aircraft test set.

This paper revisits the problem of computing empirical cumulative distribution functions (ECDF) efficiently on large, multivariate datasets. Computing an ECDF at one evaluation point requires O(N) operations on a dataset composed of N data points. Therefore, a direct evaluation of ECDFs at N evaluation points requires a quadratic O(N^2) operations, which is prohibitive for large-scale problems. Two fast and exact methods are proposed and compared. The first one is based on fast summation in lexicographical order, with a O(N{log}N) complexity and requires the evaluation points to lie on a regular grid. The second one is based on the divide-and-conquer principle, with a O(Nlog(N)^{(d-1){vee}1}) complexity and requires the evaluation points to coincide with the input points. The two fast algorithms are described and detailed in the general d-dimensional case, and numerical experiments validate their speed and accuracy. Secondly, the paper establishes a direct connection between cumulative distribution functions and kernel density estimation (KDE) for a large class of kernels. This connection paves the way for fast exact algorithms for multivariate kernel density estimation and kernel regression. Numerical tests with the Laplacian kernel validate the speed and accuracy of the proposed algorithms. A broad range of large-scale multivariate density estimation, cumulative distribution estimation, survival function estimation and regression problems can benefit from the proposed numerical methods.

A significant gap exists between theory and practice in deep learning. Generalization and approximation error bounds are often derived for simplified models or are too loose to be informative. Many rely on the manifold hypothesis and on geometric regularity such as intrinsic dimension, curvature, and reach. Progress requires insight into data-manifold geometry and suitable benchmarks, yet existing options are polarized: analytic manifolds with known geometry but limited applicability, or real-world datasets where geometry is only coarsely estimable. We introduce a benchmarking framework for studying data geometry. We repurpose and extend dSprites and COIL-20 with additional transformation dimensions and dense, axis-aligned sampling, and pair them with finite-difference estimators that recover curvature, reach, and volume at near-ground-truth accuracy in a regime where general-purpose estimators are unreliable or difficult to deploy. The framework is intended as a controlled testbed, useful as a calibration environment for geometric estimators and a sandbox for probing theoretical assumptions. To illustrate its use, we present two application studies, namely assessing the scaling behavior of the bounds of Genovese et al. and Fefferman et al., and tracking the layer-wise geometry of a β-VAE, highlighting the behavior of current bounds and the value of controlled benchmarks for guiding and validating future theory. A reference implementation is available at https://github.com/koulakis/manifold-microscope.

In this paper we develop a dynamic form of Bayesian optimization for machine learning models with the goal of rapidly finding good hyperparameter settings. Our method uses the partial information gained during the training of a machine learning model in order to decide whether to pause training and start a new model, or resume the training of a previously-considered model. We specifically tailor our method to machine learning problems by developing a novel positive-definite covariance kernel to capture a variety of training curves. Furthermore, we develop a Gaussian process prior that scales gracefully with additional temporal observations. Finally, we provide an information-theoretic framework to automate the decision process. Experiments on several common machine learning models show that our approach is extremely effective in practice.

Diffusion-based manifold learning methods have proven useful in representation learning and dimensionality reduction of modern high dimensional, high throughput, noisy datasets. Such datasets are especially present in fields like biology and physics. While it is thought that these methods preserve underlying manifold structure of data by learning a proxy for geodesic distances, no specific theoretical links have been established. Here, we establish such a link via results in Riemannian geometry explicitly connecting heat diffusion to manifold distances. In this process, we also formulate a more general heat kernel based manifold embedding method that we call heat geodesic embeddings. This novel perspective makes clearer the choices available in manifold learning and denoising. Results show that our method outperforms existing state of the art in preserving ground truth manifold distances, and preserving cluster structure in toy datasets. We also showcase our method on single cell RNA-sequencing datasets with both continuum and cluster structure, where our method enables interpolation of withheld timepoints of data. Finally, we show that parameters of our more general method can be configured to give results similar to PHATE (a state-of-the-art diffusion based manifold learning method) as well as SNE (an attraction/repulsion neighborhood based method that forms the basis of t-SNE).

We prove a single-logarithm bound for the eigenvalues in the plunge region of Fourier concentration operators, removing the extra logarithmic factor in the Kulikov--Dam Larsen bound for two general admissible sets throughout each fixed exponential window. For bounded spatial and frequency sets A,BsubsetR^d of positive measure with finite upper codimension-one Minkowski boundary content, the number Λ_varepsilon(cA,B) of eigenvalues in (varepsilon,1-varepsilon) satisfies Λ_varepsilon(cA,B)le C(d,A,B,β)c^{d-1}D(1+log_+(c/D)), where D=log(1/(varepsilon(1-varepsilon))), for every fixed β>0, cge2, 0<varepsilon<1/2, and Dleβc, with log_+t=max(0,log t). The argument uses positive band-limited smoothing and requires no symmetry, convexity, or connectedness. In dimension two, the corresponding exponential-window estimate has a constant uniform in the window parameter. We also determine the optimal coordinate-Lipschitz constant d-1 for recursive decompositions of balls and standard simplices in every dimension, and obtain box-frequency estimates with explicit geometric constants. For C^1 convex bodies in three dimensions, the optimal infimum of recursive coordinate slopes is 2. Uniform real-order Bessel estimates give independent disk and ball bounds at every spectral threshold, including an explicit deep-tail term. For smooth strictly convex planar frequency bodies with positive curvature, we prove correlation estimates for aligned Gaussian packets at arbitrary relative scales and quantitative lower bounds on the cost of estimating spatial blocks separately. Together these results connect the global spectral bound with sharp geometric constructions and the cancellation retained by grouping boundary interactions.

We introduce GeoDANO, a geometric vision-language model (VLM) with a domain-agnostic vision encoder, for solving plane geometry problems. Although VLMs have been employed for solving geometry problems, their ability to recognize geometric features remains insufficiently analyzed. To address this gap, we propose a benchmark that evaluates the recognition of visual geometric features, including primitives such as dots and lines, and relations such as orthogonality. Our preliminary study shows that vision encoders often used in general-purpose VLMs, e.g., OpenCLIP, fail to detect these features and struggle to generalize across domains. We develop GeoCLIP, a CLIP based model trained on synthetic geometric diagram-caption pairs to overcome the limitation. Benchmark results show that GeoCLIP outperforms existing vision encoders in recognizing geometric features. We then propose our VLM, GeoDANO, which augments GeoCLIP with a domain adaptation strategy for unseen diagram styles. GeoDANO outperforms specialized methods for plane geometry problems and GPT-4o on MathVerse.

Training large neural networks (NNs) requires optimizing high-dimensional data-dependent loss functions. The optimization landscape of these functions is often highly complex and textured, even fractal-like, with many spurious local minima, ill-conditioned valleys, degenerate points, and saddle points. Complicating things further is the fact that these landscape characteristics are a function of the data, meaning that noise in the training data can propagate forward and give rise to unrepresentative small-scale geometry. This poses a difficulty for gradient-based optimization methods, which rely on local geometry to compute updates and are, therefore, vulnerable to being derailed by noisy data. In practice,this translates to a strong dependence of the optimization dynamics on the noise in the data, i.e., poor generalization performance. To remediate this problem, we propose a new optimization procedure: Rolling Ball Optimizer (RBO), that breaks this spatial locality by incorporating information from a larger region of the loss landscape in its updates. We achieve this by simulating the motion of a rigid sphere of finite radius rolling on the loss landscape, a straightforward generalization of Gradient Descent (GD) that simplifies into it in the infinitesimal limit. The radius serves as a hyperparameter that determines the scale at which RBO sees the loss landscape, allowing control over the granularity of its interaction therewith. We are motivated by the intuition that the large-scale geometry of the loss landscape is less data-specific than its fine-grained structure, and that it is easier to optimize. We support this intuition by proving that our algorithm has a smoothing effect on the loss function. Evaluation against SGD, SAM, and Entropy-SGD, on MNIST and CIFAR-10/100 demonstrates promising results in terms of convergence speed, training accuracy, and generalization performance.

In this work, we derive sharp non-asymptotic deviation bounds for weighted sums of Dirichlet random variables. These bounds are based on a novel integral representation of the density of a weighted Dirichlet sum. This representation allows us to obtain a Gaussian-like approximation for the sum distribution using geometry and complex analysis methods. Our results generalize similar bounds for the Beta distribution obtained in the seminal paper Alfers and Dinges [1984]. Additionally, our results can be considered a sharp non-asymptotic version of the inverse of Sanov's theorem studied by Ganesh and O'Connell [1999] in the Bayesian setting. Based on these results, we derive new deviation bounds for the Dirichlet process posterior means with application to Bayesian bootstrap. Finally, we apply our estimates to the analysis of the Multinomial Thompson Sampling (TS) algorithm in multi-armed bandits and significantly sharpen the existing regret bounds by making them independent of the size of the arms distribution support.

In statistics, independent, identically distributed random samples do not carry a natural ordering, and their statistics are typically invariant with respect to permutations of their order. Thus, an n-sample in a space M can be considered as an element of the quotient space of M^n modulo the permutation group. The present paper takes this definition of sample space and the related concept of orbit types as a starting point for developing a geometric perspective on statistics. We aim at deriving a general mathematical setting for studying the behavior of empirical and population means in spaces ranging from smooth Riemannian manifolds to general stratified spaces. We fully describe the orbifold and path-metric structure of the sample space when M is a manifold or path-metric space, respectively. These results are non-trivial even when M is Euclidean. We show that the infinite sample space exists in a Gromov-Hausdorff type sense and coincides with the Wasserstein space of probability distributions on M. We exhibit Fr\'echet means and k-means as metric projections onto 1-skeleta or k-skeleta in Wasserstein space, and we define a new and more general notion of polymeans. This geometric characterization via metric projections applies equally to sample and population means, and we use it to establish asymptotic properties of polymeans such as consistency and asymptotic normality.

Normalization layers are crucial for deep learning, but their Euclidean formulations are inadequate for data on manifolds. On the other hand, many Riemannian manifolds in machine learning admit gyro-structures, enabling principled extensions of Euclidean neural networks to non-Euclidean domains. Inspired by this, we introduce GyroBN, a principled Riemannian batch normalization framework for gyrogroups. We establish two necessary conditions, namely pseudo-reduction and gyroisometric gyrations, that guarantee GyroBN with theoretical control over sample statistics, and show that these conditions hold for all known gyrogroups in machine learning. Our framework also incorporates several existing Riemannian normalization methods as special cases. We further instantiate GyroBN on seven representative geometries, including the Grassmannian, five constant curvature spaces, and the correlation manifold, and derive novel gyro and Riemannian structures to enable these instantiations. Experiments across these geometries demonstrate the effectiveness of GyroBN. The code is available at https://github.com/GitZH-Chen/GyroBN.git.

When dealing with electro or magnetoencephalography records, many supervised prediction tasks are solved by working with covariance matrices to summarize the signals. Learning with these matrices requires using Riemanian geometry to account for their structure. In this paper, we propose a new method to deal with distributions of covariance matrices and demonstrate its computational efficiency on M/EEG multivariate time series. More specifically, we define a Sliced-Wasserstein distance between measures of symmetric positive definite matrices that comes with strong theoretical guarantees. Then, we take advantage of its properties and kernel methods to apply this distance to brain-age prediction from MEG data and compare it to state-of-the-art algorithms based on Riemannian geometry. Finally, we show that it is an efficient surrogate to the Wasserstein distance in domain adaptation for Brain Computer Interface applications.

Score-based generative models (SGMs) are a powerful class of generative models that exhibit remarkable empirical performance. Score-based generative modelling (SGM) consists of a ``noising'' stage, whereby a diffusion is used to gradually add Gaussian noise to data, and a generative model, which entails a ``denoising'' process defined by approximating the time-reversal of the diffusion. Existing SGMs assume that data is supported on a Euclidean space, i.e. a manifold with flat geometry. In many domains such as robotics, geoscience or protein modelling, data is often naturally described by distributions living on Riemannian manifolds and current SGM techniques are not appropriate. We introduce here Riemannian Score-based Generative Models (RSGMs), a class of generative models extending SGMs to Riemannian manifolds. We demonstrate our approach on a variety of manifolds, and in particular with earth and climate science spherical data.

This paper studies Kernel density estimation for a high-dimensional distribution rho(x). Traditional approaches have focused on the limit of large number of data points n and fixed dimension d. We analyze instead the regime where both the number n of data points y_i and their dimensionality d grow with a fixed ratio alpha=(log n)/d. Our study reveals three distinct statistical regimes for the kernel-based estimate of the density hat rho_h^{D}(x)=1{n h^d}sum_{i=1}^n Kleft(x-y_i{h}right), depending on the bandwidth h: a classical regime for large bandwidth where the Central Limit Theorem (CLT) holds, which is akin to the one found in traditional approaches. Below a certain value of the bandwidth, h_{CLT}(alpha), we find that the CLT breaks down. The statistics of hat rho_h^{D}(x) for a fixed x drawn from rho(x) is given by a heavy-tailed distribution (an alpha-stable distribution). In particular below a value h_G(alpha), we find that hat rho_h^{D}(x) is governed by extreme value statistics: only a few points in the database matter and give the dominant contribution to the density estimator. We provide a detailed analysis for high-dimensional multivariate Gaussian data. We show that the optimal bandwidth threshold based on Kullback-Leibler divergence lies in the new statistical regime identified in this paper. Our findings reveal limitations of classical approaches, show the relevance of these new statistical regimes, and offer new insights for Kernel density estimation in high-dimensional settings.

Consider a random uniform sample of n points in a compact region A of Euclidean d-space, d geq 2, with a smooth or (when d=2) polygonal boundary. Fix k bf N. Let T_{n,k} be the threshold r at which the geometric graph on these n vertices with distance parameter r becomes k-connected. We show that if d=2 then n (pi/|A|) T_{n,1}^2 - log n is asymptotically standard Gumbel. For (d,k) neq (2,1), it is n (theta_d/|A|) T_{n,k}^d - (2-2/d) log n - (4-2k-2/d) log log n that converges in distribution to a nondegenerate limit, where theta_d is the volume of the unit ball. The limit is Gumbel with scale parameter 2 except when (d,k)=(2,2) where the limit is two component extreme value distributed. The different cases reflect the fact that boundary effects are more more important in some cases than others. We also give similar results for the largest k-nearest neighbour link U_{n,k} in the sample, and show T_{n,k}=U_{n,k} with high probability. We provide estimates on rates of convergence and give similar results for Poisson samples in A. Finally, we give similar results even for non-uniform samples, with a less explicit sequence of centring constants.

Deep sequence models are said to store atomic facts predominantly in the form of associative memory: a brute-force lookup of co-occurring entities. We identify a dramatically different form of storage of atomic facts that we term as geometric memory. Here, the model has synthesized embeddings encoding novel global relationships between all entities, including ones that do not co-occur in training. Such storage is powerful: for instance, we show how it transforms a hard reasoning task involving an ell-fold composition into an easy-to-learn 1-step navigation task. From this phenomenon, we extract fundamental aspects of neural embedding geometries that are hard to explain. We argue that the rise of such a geometry, as against a lookup of local associations, cannot be straightforwardly attributed to typical supervisory, architectural, or optimizational pressures. Counterintuitively, a geometry is learned even when it is more complex than the brute-force lookup. Then, by analyzing a connection to Node2Vec, we demonstrate how the geometry stems from a spectral bias that -- in contrast to prevailing theories -- indeed arises naturally despite the lack of various pressures. This analysis also points out to practitioners a visible headroom to make Transformer memory more strongly geometric. We hope the geometric view of parametric memory encourages revisiting the default intuitions that guide researchers in areas like knowledge acquisition, capacity, discovery, and unlearning.

We introduce a regularization loss based on kernel mean embeddings with rotation-invariant kernels on the hypersphere (also known as dot-product kernels) for self-supervised learning of image representations. Besides being fully competitive with the state of the art, our method significantly reduces time and memory complexity for self-supervised training, making it implementable for very large embedding dimensions on existing devices and more easily adjustable than previous methods to settings with limited resources. Our work follows the major paradigm where the model learns to be invariant to some predefined image transformations (cropping, blurring, color jittering, etc.), while avoiding a degenerate solution by regularizing the embedding distribution. Our particular contribution is to propose a loss family promoting the embedding distribution to be close to the uniform distribution on the hypersphere, with respect to the maximum mean discrepancy pseudometric. We demonstrate that this family encompasses several regularizers of former methods, including uniformity-based and information-maximization methods, which are variants of our flexible regularization loss with different kernels. Beyond its practical consequences for state-of-the-art self-supervised learning with limited resources, the proposed generic regularization approach opens perspectives to leverage more widely the literature on kernel methods in order to improve self-supervised learning methods.

We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.

k-nearest neighbor (k-NN) search is a fundamental primitive in geometry processing and computer graphics. While spatial partitioning structures such as kd-trees are standard, they are often manifold-blind, failing to exploit the intrinsic low-dimensional structure of points sampled from 2-manifolds. Recent advances in dynamic programming-based nearest neighbor search (DP-NNS) leverage incrementally constructed Voronoi diagrams to accelerate queries, where each site p maintains a list of successors that progressively refine its Voronoi cell. However, DP-NNS is restricted to single nearest neighbor (k=1) searches, precluding their adoption in applications that require local neighborhood statistics. In this paper, we generalize the DP-NNS framework to support arbitrary k-NN queries for manifold-aligned data. Our approach is founded on the geometric observation that if p_i is the nearest neighbor of a query q in P, then the second nearest neighbor of q must reside either within the prefix set P_{1:i-1} = {p_1, \dots, p_{i-1}} or within p_i's successor list. By recursively extending this principle, we introduce Manifold k-NN, a recursive algorithmic scheme that significantly outperforms conventional kd-trees for manifold-aligned data. Our method achieves a 1\times--10\times speedup in volume-to-surface query scenarios and inherently supports dynamic prefix queries -- enabling k-NN searches within any subset P_{1:m} (m \leq n) with zero overhead. Furthermore, we extend the framework to support point deletion via local Delaunay updates, providing a complete suite of dynamic operations for point set modification. Comprehensive experiments on diverse geometric datasets demonstrate the efficiency and broad applicability of our approach for modern graphics pipelines. Source code is available at https://github.com/sssomeone/manifold-knn.

As models and data scale, independently trained networks often induce analogous notions of similarity. But, matching similarities is weaker than establishing an explicit correspondence between the representation spaces, especially for multimodal models, where consistency must hold not only within each modality, but also for the learned image-text coupling. We therefore ask: given two independently trained multimodal contrastive models (with encoders (f, g) and (f,g)) -- trained on different distributions and with different architectures -- does a systematic geometric relationship exist between their embedding spaces? If so, what form does it take, and does it hold uniformly across modalities? In this work, we show that across model families such as CLIP, SigLIP, and FLAVA, this geometric relationship is well approximated by an orthogonal map (up to a global mean shift), i.e., there exists an orthogonal map Q where Q^top Q = I such that f(x)approx Q f(x) for paired images x. Strikingly, the same Q simultaneously aligns the text encoders i.e., g(y)approx Q g(y) for texts y. Theoretically, we prove that if the multimodal kernel agrees across models on a small anchor set i.e. langle f(x), g(y)rangle approx langle f(x), g(y)rangle, then the two models must be related by a single orthogonal map Q and the same Q maps images and text across models. More broadly, this finding enables backward-compatible model upgrades, avoiding costly re-embedding, and has implications for the privacy of learned representations. Our project page: https://canonical-multimodal.github.io/

Recent advancements in neural visual geometry, including transformer-based models such as VGGT and Pi3, have achieved impressive accuracy on 3D reconstruction tasks. However, their reliance on full attention makes them fundamentally limited by GPU memory capacity, preventing them from scaling to large, unordered image collections. We introduce MERG3R, a training-free divide-and-conquer framework that enables geometric foundation models to operate far beyond their native memory limits. MERG3R first reorders and partitions unordered images into overlapping, geometrically diverse subsets that can be reconstructed independently. It then merges the resulting local reconstructions through an efficient global alignment and confidence-weighted bundle adjustment procedure, producing a globally consistent 3D model. Our framework is model-agnostic and can be paired with existing neural geometry models. Across large-scale datasets, including 7-Scenes, NRGBD, Tanks & Temples, and Cambridge Landmarks, MERG3R consistently improves reconstruction accuracy, memory efficiency, and scalability, enabling high-quality reconstruction when the dataset exceeds memory capacity limits.

Most kernel-based methods, such as kernel or Gaussian process regression, kernel PCA, ICA, or k-means clustering, do not scale to large datasets, because constructing and storing the kernel matrix K_n requires at least O(n^2) time and space for n samples. Recent works show that sampling points with replacement according to their ridge leverage scores (RLS) generates small dictionaries of relevant points with strong spectral approximation guarantees for K_n. The drawback of RLS-based methods is that computing exact RLS requires constructing and storing the whole kernel matrix. In this paper, we introduce SQUEAK, a new algorithm for kernel approximation based on RLS sampling that sequentially processes the dataset, storing a dictionary which creates accurate kernel matrix approximations with a number of points that only depends on the effective dimension d_{eff}(γ) of the dataset. Moreover since all the RLS estimations are efficiently performed using only the small dictionary, SQUEAK is the first RLS sampling algorithm that never constructs the whole matrix K_n, runs in linear time mathcal{O}(nd_{eff}(γ)^3) w.r.t. n, and requires only a single pass over the dataset. We also propose a parallel and distributed version of SQUEAK that linearly scales across multiple machines, achieving similar accuracy in as little as mathcal{O}(log(n)d_{eff}(γ)^3) time.

Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function f and a large high-dimensional private dataset X subset R^d, output a differentially private (DP) data structure which approximates sum_{x in X} f(x,y) for any query y. We consider the cases where f is a kernel function, such as f(x,y) = e^{-|x-y|_2^2/sigma^2} (also known as DP kernel density estimation), or a distance function such as f(x,y) = |x-y|_2, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions f that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.

We address the computational challenges of solving parametric PDEs with non parametrized geometric variations and non-reducible problems, such as those involving shocks and discontinuities of variable positions. Traditional dimensionality reduction methods like POD struggle with these scenarios due to slowly decaying Kolmogorov widths. To overcome this, we propose a novel non-linear dimensionality reduction technique to reduce the required modes for representation. The non-linear reduction is obtained through a POD after applying a transformation on the fields, which we call optimal mappings, and is a solution to an optimization problem in infinite dimension. The proposed learning framework combines morphing techniques, non-linear dimensionality reduction, and Gaussian Process Regression (GPR). The problem is reformulated on a reference geometry before applying the dimensionality reduction. Our method learns both the optimal mapping, and the solution fields, using a series of GPR models, enabling efficient and accurate modeling of complex parametric PDEs with geometrical variability. The results obtained concur with current state-of-the-art models. We mainly compare our method with the winning solution of the ML4CFD NeurIPS 2024 competition.

Clifford-Steerable CNNs (CSCNNs) provide a unified framework that allows incorporating equivariance to arbitrary pseudo-Euclidean groups, including isometries of Euclidean space and Minkowski spacetime. In this work, we demonstrate that the kernel basis of CSCNNs is not complete, thus limiting the model expressivity. To address this issue, we propose Conditional Clifford-Steerable Kernels, which augment the kernels with equivariant representations computed from the input feature field. We derive the equivariance constraint for these input-dependent kernels and show how it can be solved efficiently via implicit parameterization. We empirically demonstrate an improved expressivity of the resulting framework on multiple PDE forecasting tasks, including fluid dynamics and relativistic electrodynamics, where our method consistently outperforms baseline methods.

The existing definitions of graph convolution, either from spatial or spectral perspectives, are inflexible and not unified. Defining a general convolution operator in the graph domain is challenging due to the lack of canonical coordinates, the presence of irregular structures, and the properties of graph symmetries. In this work, we propose a novel and general graph convolution framework by parameterizing the kernels as continuous functions of pseudo-coordinates derived via graph positional encoding. We name this Continuous Kernel Graph Convolution (CKGConv). Theoretically, we demonstrate that CKGConv is flexible and expressive. CKGConv encompasses many existing graph convolutions, and exhibits a stronger expressiveness, as powerful as graph transformers in terms of distinguishing non-isomorphic graphs. Empirically, we show that CKGConv-based Networks outperform existing graph convolutional networks and perform comparably to the best graph transformers across a variety of graph datasets. The code and models are publicly available at https://github.com/networkslab/CKGConv.

Feature matching is a challenging computer vision task that involves finding correspondences between two images of a 3D scene. In this paper we consider the dense approach instead of the more common sparse paradigm, thus striving to find all correspondences. Perhaps counter-intuitively, dense methods have previously shown inferior performance to their sparse and semi-sparse counterparts for estimation of two-view geometry. This changes with our novel dense method, which outperforms both dense and sparse methods on geometry estimation. The novelty is threefold: First, we propose a kernel regression global matcher. Secondly, we propose warp refinement through stacked feature maps and depthwise convolution kernels. Thirdly, we propose learning dense confidence through consistent depth and a balanced sampling approach for dense confidence maps. Through extensive experiments we confirm that our proposed dense method, Dense Kernelized Feature Matching, sets a new state-of-the-art on multiple geometry estimation benchmarks. In particular, we achieve an improvement on MegaDepth-1500 of +4.9 and +8.9 AUC@5^{circ} compared to the best previous sparse method and dense method respectively. Our code is provided at https://github.com/Parskatt/dkm

Large language models (LLMs) have shown great success in text modeling tasks across domains. However, natural language exhibits inherent semantic hierarchies and nuanced geometric structure, which current LLMs do not capture completely owing to their reliance on Euclidean operations. Recent studies have also shown that not respecting the geometry of token embeddings leads to training instabilities and degradation of generative capabilities. These findings suggest that shifting to non-Euclidean geometries can better align language models with the underlying geometry of text. We thus propose to operate fully in Hyperbolic space, known for its expansive, scale-free, and low-distortion properties. We thus introduce HELM, a family of HypErbolic Large Language Models, offering a geometric rethinking of the Transformer-based LLM that addresses the representational inflexibility, missing set of necessary operations, and poor scalability of existing hyperbolic LMs. We additionally introduce a Mixture-of-Curvature Experts model, HELM-MICE, where each expert operates in a distinct curvature space to encode more fine-grained geometric structure from text, as well as a dense model, HELM-D. For HELM-MICE, we further develop hyperbolic Multi-Head Latent Attention (HMLA) for efficient, reduced-KV-cache training and inference. For both models, we develop essential hyperbolic equivalents of rotary positional encodings and RMS normalization. We are the first to train fully hyperbolic LLMs at billion-parameter scale, and evaluate them on well-known benchmarks such as MMLU and ARC, spanning STEM problem-solving, general knowledge, and commonsense reasoning. Our results show consistent gains from our HELM architectures -- up to 4% -- over popular Euclidean architectures used in LLaMA and DeepSeek, highlighting the efficacy and enhanced reasoning afforded by hyperbolic geometry in large-scale LM pretraining.

We develop information geometric techniques to understand the representations learned by deep networks when they are trained on different tasks using supervised, meta-, semi-supervised and contrastive learning. We shed light on the following phenomena that relate to the structure of the space of tasks: (1) the manifold of probabilistic models trained on different tasks using different representation learning methods is effectively low-dimensional; (2) supervised learning on one task results in a surprising amount of progress even on seemingly dissimilar tasks; progress on other tasks is larger if the training task has diverse classes; (3) the structure of the space of tasks indicated by our analysis is consistent with parts of the Wordnet phylogenetic tree; (4) episodic meta-learning algorithms and supervised learning traverse different trajectories during training but they fit similar models eventually; (5) contrastive and semi-supervised learning methods traverse trajectories similar to those of supervised learning. We use classification tasks constructed from the CIFAR-10 and Imagenet datasets to study these phenomena.