Daily Papers

Diffusion models have achieved remarkable success as generative models. However, even a well-trained model can accumulate errors throughout the generation process. These errors become particularly problematic when arbitrary guidance is applied to steer samples toward desired properties, which often breaks sample fidelity. In this paper, we propose a general solution to address the off-manifold phenomenon observed in diffusion models. Our approach leverages a time predictor to estimate deviations from the desired data manifold at each timestep, identifying that a larger time gap is associated with reduced generation quality. We then design a novel guidance mechanism, `Temporal Alignment Guidance' (TAG), attracting the samples back to the desired manifold at every timestep during generation. Through extensive experiments, we demonstrate that TAG consistently produces samples closely aligned with the desired manifold at each timestep, leading to significant improvements in generation quality across various downstream tasks.

Artificial intelligence models have shown great potential in structure-based drug design, generating ligands with high binding affinities. However, existing models have often overlooked a crucial physical constraint: atoms must maintain a minimum pairwise distance to avoid separation violation, a phenomenon governed by the balance of attractive and repulsive forces. To mitigate such separation violations, we propose NucleusDiff. It models the interactions between atomic nuclei and their surrounding electron clouds by enforcing the distance constraint between the nuclei and manifolds. We quantitatively evaluate NucleusDiff using the CrossDocked2020 dataset and a COVID-19 therapeutic target, demonstrating that NucleusDiff reduces violation rate by up to 100.00% and enhances binding affinity by up to 22.16%, surpassing state-of-the-art models for structure-based drug design. We also provide qualitative analysis through manifold sampling, visually confirming the effectiveness of NucleusDiff in reducing separation violations and improving binding affinities.

Despite recent advancements in latent diffusion models that generate high-dimensional image data and perform various downstream tasks, there has been little exploration into perceptual consistency within these models on the task of No-Reference Image Quality Assessment (NR-IQA). In this paper, we hypothesize that latent diffusion models implicitly exhibit perceptually consistent local regions within the data manifold. We leverage this insight to guide on-manifold sampling using perceptual features and input measurements. Specifically, we propose Perceptual Manifold Guidance (PMG), an algorithm that utilizes pretrained latent diffusion models and perceptual quality features to obtain perceptually consistent multi-scale and multi-timestep feature maps from the denoising U-Net. We empirically demonstrate that these hyperfeatures exhibit high correlation with human perception in IQA tasks. Our method can be applied to any existing pretrained latent diffusion model and is straightforward to integrate. To the best of our knowledge, this paper is the first work on guiding diffusion model with perceptual features for NR-IQA. Extensive experiments on IQA datasets show that our method, LGDM, achieves state-of-the-art performance, underscoring the superior generalization capabilities of diffusion models for NR-IQA tasks.

Multi-modal retrieval-augmented generation (MRAG) systems retrieve visual evidence from large image corpora to ground the responses of large multi-modal models, yet the retrieved images frequently contain human faces whose identities constitute sensitive personal information. Existing anonymization techniques that destroy the non-identity visual cues that downstream reasoning depends on or fail to provide principled privacy guarantees. We propose Identity-Decoupled MRAG, a framework that interposes a generative anonymization module between retrieval and generation. Our approach consists of three components: (i)a disentangled variational encoder that factorizes each face into an identity code and a spatially-structured attribute code, regularized by a mutual-information penalty and a gradient-based independence term; (ii)a manifold-aware rejection sampler that replaces the identity code with a synthetic one guaranteed to be both distinct from the original and realistic; and (iii)a conditional latent diffusion generator that synthesizes the anonymized face from the replacement identity and the preserved attributes, distilled into a latent consistency model for low-latency deployment. Privacy is enforced through a multi-oracle ensemble of face recognition models with a hinge-based loss that halts optimization once identity similarity drops below the impostor-regime threshold.

Diffusion models have been recently studied as powerful generative inverse problem solvers, owing to their high quality reconstructions and the ease of combining existing iterative solvers. However, most works focus on solving simple linear inverse problems in noiseless settings, which significantly under-represents the complexity of real-world problems. In this work, we extend diffusion solvers to efficiently handle general noisy (non)linear inverse problems via approximation of the posterior sampling. Interestingly, the resulting posterior sampling scheme is a blended version of diffusion sampling with the manifold constrained gradient without a strict measurement consistency projection step, yielding a more desirable generative path in noisy settings compared to the previous studies. Our method demonstrates that diffusion models can incorporate various measurement noise statistics such as Gaussian and Poisson, and also efficiently handle noisy nonlinear inverse problems such as Fourier phase retrieval and non-uniform deblurring. Code available at https://github.com/DPS2022/diffusion-posterior-sampling

Drawing motivation from the manifold hypothesis, which posits that most high-dimensional data lies on or near low-dimensional manifolds, we apply manifold learning to the space of neural networks. We learn manifolds where datapoints are neural networks by introducing a distance between the hidden layer representations of the neural networks. These distances are then fed to the non-linear dimensionality reduction algorithm PHATE to create a manifold of neural networks. We characterize this manifold using features of the representation, including class separation, hierarchical cluster structure, spectral entropy, and topological structure. Our analysis reveals that high-performing networks cluster together in the manifold, displaying consistent embedding patterns across all these features. Finally, we demonstrate the utility of this approach for guiding hyperparameter optimization and neural architecture search by sampling from the manifold.

Recent advances in generative modeling have demonstrated strong promise for high-quality point cloud upsampling. In this work, we present PUFM++, an enhanced flow-matching framework for reconstructing dense and accurate point clouds from sparse, noisy, and partial observations. PUFM++ improves flow matching along three key axes: (i) geometric fidelity, (ii) robustness to imperfect input, and (iii) consistency with downstream surface-based tasks. We introduce a two-stage flow-matching strategy that first learns a direct, straight-path flow from sparse inputs to dense targets, and then refines it using noise-perturbed samples to approximate the terminal marginal distribution better. To accelerate and stabilize inference, we propose a data-driven adaptive time scheduler that improves sampling efficiency based on interpolation behavior. We further impose on-manifold constraints during sampling to ensure that generated points remain aligned with the underlying surface. Finally, we incorporate a recurrent interface network~(RIN) to strengthen hierarchical feature interactions and boost reconstruction quality. Extensive experiments on synthetic benchmarks and real-world scans show that PUFM++ sets a new state of the art in point cloud upsampling, delivering superior visual fidelity and quantitative accuracy across a wide range of tasks. Code and pretrained models are publicly available at https://github.com/Holmes-Alan/Enhanced_PUFM.

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.

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.

This paper introduces the Manifold Probe, a supervised method for discovering representation manifolds in superposition. The method generalizes linear regression probes by learning the space of features of a concept that can be linearly predicted from the representations, and then learning the directions used to encode them. We demonstrate the probe on representations of time and space in Llama 2-7b, finding manifolds which linearly represent an interpretable set of features in each case. In the case of time, we show that by steering along the manifold, we can influence the model's completions about the years in which famous songs, movies and books were released, providing evidence that the Manifold Probe can discover manifolds which are causally involved in model behaviour.

We present EuLearn, the first surface datasets equitably representing a diversity of topological types. We designed our embedded surfaces of uniformly varying genera relying on random knots, thus allowing our surfaces to knot with themselves. EuLearn contributes new topological datasets of meshes, point clouds, and scalar fields in 3D. We aim to facilitate the training of machine learning systems that can discern topological features. We experimented with specific emblematic 3D neural network architectures, finding that their vanilla implementations perform poorly on genus classification. To enhance performance, we developed a novel, non-Euclidean, statistical sampling method adapted to graph and manifold data. We also introduce adjacency-informed adaptations of PointNet and Transformer architectures that rely on our non-Euclidean sampling strategy. Our results demonstrate that incorporating topological information into deep learning workflows significantly improves performance on these otherwise challenging EuLearn datasets.

We present Manifold Diffusion Fields (MDF), an approach to learn generative models of continuous functions defined over Riemannian manifolds. Leveraging insights from spectral geometry analysis, we define an intrinsic coordinate system on the manifold via the eigen-functions of the Laplace-Beltrami Operator. MDF represents functions using an explicit parametrization formed by a set of multiple input-output pairs. Our approach allows to sample continuous functions on manifolds and is invariant with respect to rigid and isometric transformations of the manifold. Empirical results on several datasets and manifolds show that MDF can capture distributions of such functions with better diversity and fidelity than previous approaches.

Recently, diffusion models have been used to solve various inverse problems in an unsupervised manner with appropriate modifications to the sampling process. However, the current solvers, which recursively apply a reverse diffusion step followed by a projection-based measurement consistency step, often produce suboptimal results. By studying the generative sampling path, here we show that current solvers throw the sample path off the data manifold, and hence the error accumulates. To address this, we propose an additional correction term inspired by the manifold constraint, which can be used synergistically with the previous solvers to make the iterations close to the manifold. The proposed manifold constraint is straightforward to implement within a few lines of code, yet boosts the performance by a surprisingly large margin. With extensive experiments, we show that our method is superior to the previous methods both theoretically and empirically, producing promising results in many applications such as image inpainting, colorization, and sparse-view computed tomography. Code available https://github.com/HJ-harry/MCG_diffusion

There is a growing number of tasks that work directly on point clouds. As the size of the point cloud grows, so do the computational demands of these tasks. A possible solution is to sample the point cloud first. Classic sampling approaches, such as farthest point sampling (FPS), do not consider the downstream task. A recent work showed that learning a task-specific sampling can improve results significantly. However, the proposed technique did not deal with the non-differentiability of the sampling operation and offered a workaround instead. We introduce a novel differentiable relaxation for point cloud sampling that approximates sampled points as a mixture of points in the primary input cloud. Our approximation scheme leads to consistently good results on classification and geometry reconstruction applications. We also show that the proposed sampling method can be used as a front to a point cloud registration network. This is a challenging task since sampling must be consistent across two different point clouds for a shared downstream task. In all cases, our approach outperforms existing non-learned and learned sampling alternatives. Our code is publicly available at https://github.com/itailang/SampleNet.

Score Distillation Sampling (SDS) is a recent but already widely popular method that relies on an image diffusion model to control optimization problems using text prompts. In this paper, we conduct an in-depth analysis of the SDS loss function, identify an inherent problem with its formulation, and propose a surprisingly easy but effective fix. Specifically, we decompose the loss into different factors and isolate the component responsible for noisy gradients. In the original formulation, high text guidance is used to account for the noise, leading to unwanted side effects. Instead, we train a shallow network mimicking the timestep-dependent denoising deficiency of the image diffusion model in order to effectively factor it out. We demonstrate the versatility and the effectiveness of our novel loss formulation through several qualitative and quantitative experiments, including optimization-based image synthesis and editing, zero-shot image translation network training, and text-to-3D synthesis.

We present a novel approach for generating minority samples that live on low-density regions of a data manifold. Our framework is built upon diffusion models, leveraging the principle of guided sampling that incorporates an arbitrary energy-based guidance during inference time. The key defining feature of our sampler lies in its self-contained nature, \ie, implementable solely with a pretrained model. This distinguishes our sampler from existing techniques that require expensive additional components (like external classifiers) for minority generation. Specifically, we first estimate the likelihood of features within an intermediate latent sample by evaluating a reconstruction loss w.r.t. its posterior mean. The generation then proceeds with the minimization of the estimated likelihood, thereby encouraging the emergence of minority features in the latent samples of subsequent timesteps. To further improve the performance of our sampler, we provide several time-scheduling techniques that properly manage the influence of guidance over inference steps. Experiments on benchmark real datasets demonstrate that our approach can greatly improve the capability of creating realistic low-likelihood minority instances over the existing techniques without the reliance on costly additional elements. Code is available at https://github.com/soobin-um/sg-minority.

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.

The manifold hypothesis, which assumes that data lies on or close to an unknown manifold of low intrinsic dimension, is a staple of modern machine learning research. However, recent work has shown that real-world data exhibits distinct non-manifold structures, i.e. singularities, that can lead to erroneous findings. Detecting such singularities is therefore crucial as a precursor to interpolation and inference tasks. We address this issue by developing a topological framework that (i) quantifies the local intrinsic dimension, and (ii) yields a Euclidicity score for assessing the 'manifoldness' of a point along multiple scales. Our approach identifies singularities of complex spaces, while also capturing singular structures and local geometric complexity in image data.

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.

This paper introduces a new interpretation of the Variational Autoencoder framework by taking a fully geometric point of view. We argue that vanilla VAE models unveil naturally a Riemannian structure in their latent space and that taking into consideration those geometrical aspects can lead to better interpolations and an improved generation procedure. This new proposed sampling method consists in sampling from the uniform distribution deriving intrinsically from the learned Riemannian latent space and we show that using this scheme can make a vanilla VAE competitive and even better than more advanced versions on several benchmark datasets. Since generative models are known to be sensitive to the number of training samples we also stress the method's robustness in the low data regime.

We adapt previous research on category theory and topological unsupervised learning to develop a functorial perspective on manifold learning, also known as nonlinear dimensionality reduction. We first characterize manifold learning algorithms as functors that map pseudometric spaces to optimization objectives and that factor through hierarchical clustering functors. We then use this characterization to prove refinement bounds on manifold learning loss functions and construct a hierarchy of manifold learning algorithms based on their equivariants. We express several popular manifold learning algorithms as functors at different levels of this hierarchy, including Metric Multidimensional Scaling, IsoMap, and UMAP. Next, we use interleaving distance to study the stability of a broad class of manifold learning algorithms. We present bounds on how closely the embeddings these algorithms produce from noisy data approximate the embeddings they would learn from noiseless data. Finally, we use our framework to derive a set of novel manifold learning algorithms, which we experimentally demonstrate are competitive with the state of the art.

A neural network with the widely-used ReLU activation has been shown to partition the sample space into many convex polytopes for prediction. However, the parameterized way a neural network and other machine learning models use to partition the space has imperfections, e.g., the compromised interpretability for complex models, the inflexibility in decision boundary construction due to the generic character of the model, and the risk of being trapped into shortcut solutions. In contrast, although the non-parameterized models can adorably avoid or downplay these issues, they are usually insufficiently powerful either due to over-simplification or the failure to accommodate the manifold structures of data. In this context, we first propose a new type of machine learning models referred to as Manifoldron that directly derives decision boundaries from data and partitions the space via manifold structure discovery. Then, we systematically analyze the key characteristics of the Manifoldron such as manifold characterization capability and its link to neural networks. The experimental results on 4 synthetic examples, 20 public benchmark datasets, and 1 real-world application demonstrate that the proposed Manifoldron performs competitively compared to the mainstream machine learning models. We have shared our code in https://github.com/wdayang/Manifoldron for free download and evaluation.

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.

In this article, we develop an asymptotic method for constructing confidence regions for the set of all linear subspaces arising from PCA, from which we derive hypothesis tests on this set. Our method is based on the geometry of Riemannian manifolds with which some sets of linear subspaces are endowed.

We propose a new approach for generative modeling based on training a neural network to be idempotent. An idempotent operator is one that can be applied sequentially without changing the result beyond the initial application, namely f(f(z))=f(z). The proposed model f is trained to map a source distribution (e.g, Gaussian noise) to a target distribution (e.g. realistic images) using the following objectives: (1) Instances from the target distribution should map to themselves, namely f(x)=x. We define the target manifold as the set of all instances that f maps to themselves. (2) Instances that form the source distribution should map onto the defined target manifold. This is achieved by optimizing the idempotence term, f(f(z))=f(z) which encourages the range of f(z) to be on the target manifold. Under ideal assumptions such a process provably converges to the target distribution. This strategy results in a model capable of generating an output in one step, maintaining a consistent latent space, while also allowing sequential applications for refinement. Additionally, we find that by processing inputs from both target and source distributions, the model adeptly projects corrupted or modified data back to the target manifold. This work is a first step towards a ``global projector'' that enables projecting any input into a target data distribution.

Learning the distribution of data on Riemannian manifolds is crucial for modeling data from non-Euclidean space, which is required by many applications in diverse scientific fields. Yet, existing generative models on manifolds suffer from expensive divergence computation or rely on approximations of heat kernel. These limitations restrict their applicability to simple geometries and hinder scalability to high dimensions. In this work, we introduce the Riemannian Diffusion Mixture, a principled framework for building a generative diffusion process on manifolds. Instead of following the denoising approach of previous diffusion models, we construct a diffusion process using a mixture of bridge processes derived on general manifolds without requiring heat kernel estimations. We develop a geometric understanding of the mixture process, deriving the drift as a weighted mean of tangent directions to the data points that guides the process toward the data distribution. We further propose a scalable training objective for learning the mixture process that readily applies to general manifolds. Our method achieves superior performance on diverse manifolds with dramatically reduced number of in-training simulation steps for general manifolds.

Despite high semantic alignment, modern text-to-image (T2I) generative models still struggle to synthesize diverse images from a given prompt. This lack of diversity not only restricts user choice, but also risks amplifying societal biases. In this work, we enhance the T2I diversity through a geometric lens. Unlike most existing methods that rely primarily on entropy-based guidance to increase sample dissimilarity, we introduce Geometry-Aware Spherical Sampling (GASS) to enhance diversity by explicitly controlling both prompt-dependent and prompt-independent sources of variation. Specifically, we decompose the diversity measure in CLIP embeddings using two orthogonal directions: the text embedding, which captures semantic variation related to the prompt, and an identified orthogonal direction that captures prompt-independent variation (e.g., backgrounds). Based on this decomposition, GASS increases the geometric projection spread of generated image embeddings along both axes and guides the T2I sampling process via expanded predictions along the generation trajectory. Our experiments on different frozen T2I backbones (U-Net and DiT, diffusion and flow) and benchmarks demonstrate the effectiveness of disentangled diversity enhancement with minimal impact on image fidelity and semantic alignment.

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.

Hamiltonian Monte Carlo provides efficient Markov transitions at the expense of introducing two free parameters: a step size and total integration time. Because the step size controls discretization error it can be readily tuned to achieve certain accuracy criteria, but the total integration time is left unconstrained. Recently Hoffman and Gelman proposed a criterion for tuning the integration time in certain systems with their No U-Turn Sampler, or NUTS. In this paper I investigate the dynamical basis for the success of NUTS and generalize it to Riemannian Manifold Hamiltonian Monte Carlo.

We propose Riemannian Flow Matching (RFM), a simple yet powerful framework for training continuous normalizing flows on manifolds. Existing methods for generative modeling on manifolds either require expensive simulation, are inherently unable to scale to high dimensions, or use approximations for limiting quantities that result in biased training objectives. Riemannian Flow Matching bypasses these limitations and offers several advantages over previous approaches: it is simulation-free on simple geometries, does not require divergence computation, and computes its target vector field in closed-form. The key ingredient behind RFM is the construction of a relatively simple premetric for defining target vector fields, which encompasses the existing Euclidean case. To extend to general geometries, we rely on the use of spectral decompositions to efficiently compute premetrics on the fly. Our method achieves state-of-the-art performance on many real-world non-Euclidean datasets, and we demonstrate tractable training on general geometries, including triangular meshes with highly non-trivial curvature and boundaries.

Riemannian diffusion models draw inspiration from standard Euclidean space diffusion models to learn distributions on general manifolds. Unfortunately, the additional geometric complexity renders the diffusion transition term inexpressible in closed form, so prior methods resort to imprecise approximations of the score matching training objective that degrade performance and preclude applications in high dimensions. In this work, we reexamine these approximations and propose several practical improvements. Our key observation is that most relevant manifolds are symmetric spaces, which are much more amenable to computation. By leveraging and combining various ans\"{a}tze, we can quickly compute relevant quantities to high precision. On low dimensional datasets, our correction produces a noticeable improvement, allowing diffusion to compete with other methods. Additionally, we show that our method enables us to scale to high dimensional tasks on nontrivial manifolds. In particular, we model QCD densities on SU(n) lattices and contrastively learned embeddings on high dimensional hyperspheres.

The popularisation of acquisition devices capable of capturing volumetric information such as LiDAR scans and depth cameras has lead to an increased interest in point clouds as an imaging modality. Due to the high amount of data needed for their representation, efficient compression solutions are needed to enable practical applications. Among the many techniques that have been proposed in the last years, learning-based methods are receiving large attention due to their high performance and potential for improvement. Such algorithms depend on large and diverse training sets to achieve good compression performance. ShapeNet is a large-scale dataset composed of CAD models with texture and constitute and effective option for training such compression methods. This dataset is entirely composed of meshes, which must go through a sampling process in order to obtain point clouds with geometry and texture information. Although many existing software libraries are able to sample geometry from meshes through simple functions, obtaining an output point cloud with geometry and color of the external faces of the mesh models is not a straightforward process for the ShapeNet dataset. The main difficulty associated with this dataset is that its models are often defined with duplicated faces sharing the same vertices, but with different color values. This document describes a script for sampling the meshes from ShapeNet that circumvent this issue by excluding the internal faces of the mesh models prior to the sampling. The script can be accessed from the following link: https://github.com/mmspg/mesh-sampling.

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 consider the problem of simultaneously clustering and learning a linear representation of data lying close to a union of low-dimensional manifolds, a fundamental task in machine learning and computer vision. When the manifolds are assumed to be linear subspaces, this reduces to the classical problem of subspace clustering, which has been studied extensively over the past two decades. Unfortunately, many real-world datasets such as natural images can not be well approximated by linear subspaces. On the other hand, numerous works have attempted to learn an appropriate transformation of the data, such that data is mapped from a union of general non-linear manifolds to a union of linear subspaces (with points from the same manifold being mapped to the same subspace). However, many existing works have limitations such as assuming knowledge of the membership of samples to clusters, requiring high sampling density, or being shown theoretically to learn trivial representations. In this paper, we propose to optimize the Maximal Coding Rate Reduction metric with respect to both the data representation and a novel doubly stochastic cluster membership, inspired by state-of-the-art subspace clustering results. We give a parameterization of such a representation and membership, allowing efficient mini-batching and one-shot initialization. Experiments on CIFAR-10, -20, -100, and TinyImageNet-200 datasets show that the proposed method is much more accurate and scalable than state-of-the-art deep clustering methods, and further learns a latent linear representation of the data.

Reinforcement learning (RL) is a central approach for improving reasoning capabilities in large language models (LLMs), where training efficiency depends critically on how problems are sampled during optimization. Existing adaptive curriculum learning methods typically prioritize prompts of intermediate difficulty, treating problem selection as a standard bandit problem with independent arms and overlooking the structured, heterogeneous nature of the task space. In this work, we frame problem sampling as a manifold-structured bandit problem with endogenous non-stationarity: problems are related through the model's latent representation space, and sampling decisions can steer how learning signals evolve across that space. To operationalize this perspective, we introduce Bayesian Manifold Curriculum (BMC), a structure-aware framework that organizes problems into a hierarchical task tree and applies Bayesian learning to guide sampling. Empirically, we find that different sampling strategies induce non-trivial tradeoffs between productivity (learning signal), diversity (coverage of the task manifold), and utility (evaluation relevance). These results show that prioritizing difficulty alone is insufficient for strong downstream performance, highlighting the importance of incorporating structure and type-awareness into problem sampling.

Irregular multivariate time series forecasting is a challenging yet important problem in real-world applications, where observations are often irregularly sampled and asynchronously recorded across variables. Existing time series foundation models are mostly built on regularly sampled sequences, making them difficult to generalize to irregular time intervals and asynchronous cross-variable dependencies. To address these challenges, we propose QiYao-I, a manifold based foundation model for irregular multivariate time series forecasting. Specifically, we introduce a novel sampling-conditioned temporal manifold attention mechanism that maps real timestamps into a learnable temporal manifold feature space and injects temporal manifold biases into attention layers, enabling the model to capture both irregular time intervals and local sampling structures. Further, we propose a dynamic variable interaction mechanism with frequency awareness. It selectively performs cross-variable message passing under asynchronous observations. Extensive experiments on real-world irregular multivariate forecasting benchmarks demonstrate that QiYao-I achieves superior performance compared with both time series foundation models and end-to-end irregular forecasting models, showing strong generalization ability in zero-shot and few-shot settings.

We introduce a multi-fidelity estimator of covariance matrices that employs the log-Euclidean geometry of the symmetric positive-definite manifold. The estimator fuses samples from a hierarchy of data sources of differing fidelities and costs for variance reduction while guaranteeing definiteness, in contrast with previous approaches. The new estimator makes covariance estimation tractable in applications where simulation or data collection is expensive; to that end, we develop an optimal sample allocation scheme that minimizes the mean-squared error of the estimator given a fixed budget. Guaranteed definiteness is crucial to metric learning, data assimilation, and other downstream tasks. Evaluations of our approach using data from physical applications (heat conduction, fluid dynamics) demonstrate more accurate metric learning and speedups of more than one order of magnitude compared to benchmarks.

Point cloud sampling is a less explored research topic for this data representation. The most commonly used sampling methods are still classical random sampling and farthest point sampling. With the development of neural networks, various methods have been proposed to sample point clouds in a task-based learning manner. However, these methods are mostly generative-based, rather than selecting points directly using mathematical statistics. Inspired by the Canny edge detection algorithm for images and with the help of the attention mechanism, this paper proposes a non-generative Attention-based Point cloud Edge Sampling method (APES), which captures salient points in the point cloud outline. Both qualitative and quantitative experimental results show the superior performance of our sampling method on common benchmark tasks.

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central approach to manifold learning, and hyperbolic geometry. Specifically, using diffusion geometry, we build multi-scale densities on the data, aimed to reveal their hierarchical structure, and then embed them into a product of hyperbolic spaces. We show theoretically that our embedding and distance recover the underlying hierarchical structure. In addition, we demonstrate the efficacy of the proposed method and its advantages compared to existing methods on graph embedding benchmarks and hierarchical datasets.

Dimensionality reduction is a fundamental task that aims to simplify complex data by reducing its feature dimensionality while preserving essential patterns, with core applications in data analysis and visualisation. To preserve the underlying data structure, multi-dimensional scaling (MDS) methods focus on preserving pairwise dissimilarities, such as distances. They optimise the embedding to have pairwise distances as close as possible to the data dissimilarities. However, the current standard is limited to embedding data in Riemannian manifolds. Motivated by the lack of asymmetry in the Riemannian metric of the embedding space, this paper extends the MDS problem to a natural asymmetric generalisation of Riemannian manifolds called Finsler manifolds. Inspired by Euclidean space, we define a canonical Finsler space for embedding asymmetric data. Due to its simplicity with respect to geodesics, data representation in this space is both intuitive and simple to analyse. We demonstrate that our generalisation benefits from the same theoretical convergence guarantees. We reveal the effectiveness of our Finsler embedding across various types of non-symmetric data, highlighting its value in applications such as data visualisation, dimensionality reduction, directed graph embedding, and link prediction.

Representing a manifold of very high-dimensional data with generative models has been shown to be computationally efficient in practice. However, this requires that the data manifold admits a global parameterization. In order to represent manifolds of arbitrary topology, we propose to learn a mixture model of variational autoencoders. Here, every encoder-decoder pair represents one chart of a manifold. We propose a loss function for maximum likelihood estimation of the model weights and choose an architecture that provides us the analytical expression of the charts and of their inverses. Once the manifold is learned, we use it for solving inverse problems by minimizing a data fidelity term restricted to the learned manifold. To solve the arising minimization problem we propose a Riemannian gradient descent algorithm on the learned manifold. We demonstrate the performance of our method for low-dimensional toy examples as well as for deblurring and electrical impedance tomography on certain image manifolds.

The manifold hypothesis posits that high-dimensional data often lies on a lower-dimensional manifold and that utilizing this manifold as the target space yields more efficient representations. While numerous traditional manifold-based techniques exist for dimensionality reduction, their application in self-supervised learning has witnessed slow progress. The recent MSimCLR method combines manifold encoding with SimCLR but requires extremely low target encoding dimensions to outperform SimCLR, limiting its applicability. This paper introduces a novel learning paradigm using an unbalanced atlas (UA), capable of surpassing state-of-the-art self-supervised learning approaches. We investigated and engineered the DeepInfomax with an unbalanced atlas (DIM-UA) method by adapting the Spatiotemporal DeepInfomax (ST-DIM) framework to align with our proposed UA paradigm. The efficacy of DIM-UA is demonstrated through training and evaluation on the Atari Annotated RAM Interface (AtariARI) benchmark, a modified version of the Atari 2600 framework that produces annotated image samples for representation learning. The UA paradigm improves existing algorithms significantly as the number of target encoding dimensions grows. For instance, the mean F1 score averaged over categories of DIM-UA is ~75% compared to ~70% of ST-DIM when using 16384 hidden units.

Polar slice sampling (Roberts & Rosenthal, 2002) is a Markov chain approach for approximate sampling of distributions that is difficult, if not impossible, to implement efficiently, but behaves provably well with respect to the dimension. By updating the directional and radial components of chain iterates separately, we obtain a family of samplers that mimic polar slice sampling, and yet can be implemented efficiently. Numerical experiments in a variety of settings indicate that our proposed algorithm outperforms the two most closely related approaches, elliptical slice sampling (Murray et al., 2010) and hit-and-run uniform slice sampling (MacKay, 2003). We prove the well-definedness and convergence of our methods under suitable assumptions on the target distribution.

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.

We present Manify, an open-source Python library for non-Euclidean representation learning. Leveraging manifold learning techniques, Manify provides tools for learning embeddings in (products of) non-Euclidean spaces, performing classification and regression with data that lives in such spaces, and estimating the curvature of a manifold. Manify aims to advance research and applications in machine learning by offering a comprehensive suite of tools for manifold-based data analysis. Our source code, examples, datasets, results, and documentation are available at https://github.com/pchlenski/manify

We introduce a novel framework that directly learns a spectral basis for shape and manifold analysis from unstructured data, eliminating the need for traditional operator selection, discretization, and eigensolvers. Grounded in optimal-approximation theory, we train a network to decompose an implicit approximation operator by minimizing the reconstruction error in the learned basis over a chosen distribution of probe functions. For suitable distributions, they can be seen as an approximation of the Laplacian operator and its eigendecomposition, which are fundamental in geometry processing. Furthermore, our method recovers in a unified manner not only the spectral basis, but also the implicit metric's sampling density and the eigenvalues of the underlying operator. Notably, our unsupervised method makes no assumption on the data manifold, such as meshing or manifold dimensionality, allowing it to scale to arbitrary datasets of any dimension. On point clouds lying on surfaces in 3D and high-dimensional image manifolds, our approach yields meaningful spectral bases, that can resemble those of the Laplacian, without explicit construction of an operator. By replacing the traditional operator selection, construction, and eigendecomposition with a learning-based approach, our framework offers a principled, data-driven alternative to conventional pipelines. This opens new possibilities in geometry processing for unstructured data, particularly in high-dimensional spaces.

While most frames in long-form video are redundant, the critical information resides in temporal surprises: moments where the actual visual features deviate from their predicted evolution. Inspired by the human brain's predictive coding, we introduce Swift Sampling, an elegant, training-free frame selection algorithm that automatically identifies high-information moments in a video. Specifically, we model a video as a differentiable trajectory in the visual latent space and compute the velocity and acceleration of its features. Then, we apply Taylor expansion to project the expected path of subsequent frames. Frames that diverge sharply from this predicted manifold are identified as temporally surprising frames and selected for sampling. Unlike prior training-free methods that rely on auxiliary networks or video-specific hyperparameter tuning, Swift Sampling is incredibly lightweight, adding only 0.02x additional computational cost over baseline making it 30x cheaper overhead than leading baselines. Across three long-video question answering benchmarks and 10 different downstream tasks, Swift Sampling outperforms uniform sampling and prior query-agnostic baselines. It is especially powerful for long videos with limited frame budgets improving accuracy by up to +12.5 points.

Non-linear manifold learning enables high-dimensional data analysis, but requires out-of-sample-extension methods to process new data points. In this paper, we propose a manifold learning algorithm based on deep learning to create an encoder, which maps a high-dimensional dataset and its low-dimensional embedding, and a decoder, which takes the embedded data back to the high-dimensional space. Stacking the encoder and decoder together constructs an autoencoder, which we term a diffusion net, that performs out-of-sample-extension as well as outlier detection. We introduce new neural net constraints for the encoder, which preserves the local geometry of the points, and we prove rates of convergence for the encoder. Also, our approach is efficient in both computational complexity and memory requirements, as opposed to previous methods that require storage of all training points in both the high-dimensional and the low-dimensional spaces to calculate the out-of-sample-extension and the pre-image.

Sampling is ubiquitous in machine learning methodologies. Due to the growth of large datasets and model complexity, we want to learn and adapt the sampling process while training a representation. Towards achieving this grand goal, a variety of sampling techniques have been proposed. However, most of them either use a fixed sampling scheme or adjust the sampling scheme based on simple heuristics. They cannot choose the best sample for model training in different stages. Inspired by "Think, Fast and Slow" (System 1 and System 2) in cognitive science, we propose a reward-guided sampling strategy called Adaptive Sample with Reward (ASR) to tackle this challenge. To the best of our knowledge, this is the first work utilizing reinforcement learning (RL) to address the sampling problem in representation learning. Our approach optimally adjusts the sampling process to achieve optimal performance. We explore geographical relationships among samples by distance-based sampling to maximize overall cumulative reward. We apply ASR to the long-standing sampling problems in similarity-based loss functions. Empirical results in information retrieval and clustering demonstrate ASR's superb performance across different datasets. We also discuss an engrossing phenomenon which we name as "ASR gravity well" in experiments.

Extending the generation horizon of video diffusion models to long sequences remains a long-standing and important challenge. Existing training-free approaches fall into two categories: extensions of bidirectional models, which are tightly coupled to specific architectures and suffer from quality degradation over long horizons, and autoregressive models, which accumulate drift errors due to exposure bias and tend to produce repetitive motion patterns. To address these issues, we propose a novel but simple inference-time approach for long video generation that is architecture-agnostic and requires no additional training. Our method generates long videos via overlapping sliding windows, where predicted clean samples from adjacent windows are blended via Tweedie matching to enforce both manifold constraint and temporal consistency across overlap regions. Stochastic early-phase sampling then synchronizes per-window trajectories by injecting fresh noise after each Tweedie matching correction in the high-noise phase, before transitioning to deterministic ODE sampling to preserve fine-grained visual fidelity. Applied to various video generation models, our method generates videos several times longer than the native window length while outperforming both training-free and autoregressive baselines in temporal consistency and visual quality, and further extends to audio-video joint generation and text-to-3DGS without any fine-tuning.

Preference optimization is a standard alignment method for generative models, yet extending it to continuous-time dynamics remains non-trivial. In flow matching, reward-driven updates modify transport trajectories without an inherent constraint to the pretrained data manifold and can move terminal samples off the pretrained support. We formalize this failure mode as manifold drift. Theoretically, we show that optimal flow matching recovers the terminal data distribution, whereas a preference update leaves the pretrained manifold whenever its induced terminal displacement has a nonzero normal component. As a remedy, we propose ThermoDPO, a temperature-controlled objective that anchors pairwise preference optimization on preferred samples. Across temperature regimes, this objective connects rejection sampling fine-tuning and FlowDPO and controls a pointwise reconstruction-based surrogate for manifold distance. To counteract diminished signals at low temperatures, we further introduce a weighted variant, ThermoDPO-weighted. On the main toy benchmark, ThermoDPO-weighted attains a StrictScore of 0.899, compared with 0.629 for FlowDPO and 0.857 for FlowDPO+RFT. On SD3.5-M at CFG = 4.5, it improves OCR by 47.5% and the average of four metrics by 16.0%.

We propose a desigining method of a flexible sampling operator for graph signals via a difference-of-convex (DC) optimization algorithm. A fundamental challenge in graph signal processing is sampling, especially for graph signals that are not bandlimited. In order to sample beyond bandlimited graph signals, there are studies to expand the generalized sampling theory for the graph setting. Vertex-wise sampling and flexible sampling are two main strategies to sample graph signals. Recovery accuracy of existing vertex-wise sampling methods is highly dependent on specific vertices selected to generate a sampled graph signal that may compromise the accurary especially when noise is generated at the vertices. In contrast, a flexible sampling mixes values at multiple vertices to generate a sampled signal for robust sampling; however, existing flexible sampling methods impose strict assumptions and aggressive relaxations. To address these limitations, we aim to design a flexible sampling operator without such strict assumptions and aggressive relaxations by introducing DC optimization. By formulating the problem of designing a flexible sampling operator as a DC optimization problem, our method ensures robust sampling for graph signals under arbitrary priors based on generalized sampling theory. We develop an efficient solver based on the general double-proximal gradient DC algorithm, which guarantees convergence to a critical point. Experimental results demonstrate the superiority of our method in sampling and recovering beyond bandlimited graph signals compared to existing approaches.

Classifier-free guidance (CFG) is a fundamental tool in modern diffusion models for text-guided generation. Although effective, CFG has notable drawbacks. For instance, DDIM with CFG lacks invertibility, complicating image editing; furthermore, high guidance scales, essential for high-quality outputs, frequently result in issues like mode collapse. Contrary to the widespread belief that these are inherent limitations of diffusion models, this paper reveals that the problems actually stem from the off-manifold phenomenon associated with CFG, rather than the diffusion models themselves. More specifically, inspired by the recent advancements of diffusion model-based inverse problem solvers (DIS), we reformulate text-guidance as an inverse problem with a text-conditioned score matching loss, and develop CFG++, a novel approach that tackles the off-manifold challenges inherent in traditional CFG. CFG++ features a surprisingly simple fix to CFG, yet it offers significant improvements, including better sample quality for text-to-image generation, invertibility, smaller guidance scales, reduced mode collapse, etc. Furthermore, CFG++ enables seamless interpolation between unconditional and conditional sampling at lower guidance scales, consistently outperforming traditional CFG at all scales. Experimental results confirm that our method significantly enhances performance in text-to-image generation, DDIM inversion, editing, and solving inverse problems, suggesting a wide-ranging impact and potential applications in various fields that utilize text guidance. Project Page: https://cfgpp-diffusion.github.io/.

Group Relative Policy Optimization (GRPO) methods for video generation like FlowGRPO remain far less reliable than their counterparts for language models and images. This gap arises because video generation has a complex solution space, and the ODE-to-SDE conversion used for exploration can inject excess noise, lowering rollout quality and making reward estimates less reliable, which destabilizes post-training alignment. To address this problem, we view the pre-trained model as defining a valid video data manifold and formulate the core problem as constraining exploration within the vicinity of this manifold, ensuring that rollout quality is preserved and reward estimates remain reliable. We propose SAGE-GRPO (Stable Alignment via Exploration), which applies constraints at both micro and macro levels. At the micro level, we derive a precise manifold-aware SDE with a logarithmic curvature correction and introduce a gradient norm equalizer to stabilize sampling and updates across timesteps. At the macro level, we use a dual trust region with a periodic moving anchor and stepwise constraints so that the trust region tracks checkpoints that are closer to the manifold and limits long-horizon drift. We evaluate SAGE-GRPO on HunyuanVideo1.5 using the original VideoAlign as the reward model and observe consistent gains over previous methods in VQ, MQ, TA, and visual metrics (CLIPScore, PickScore), demonstrating superior performance in both reward maximization and overall video quality. The code and visual gallery are available at https://dungeonmassster.github.io/SAGE-GRPO-Page/.

Collections of probability distributions arise in a variety of applications ranging from user activity pattern analysis to brain connectomics. In practice these distributions can be defined over diverse domain types including finite intervals, circles, cylinders, spheres, other manifolds, and graphs. This paper introduces an approach for detecting differences between two collections of distributions over such general domains. To this end, we propose the intrinsic slicing construction that yields a novel class of Wasserstein distances on manifolds and graphs. These distances are Hilbert embeddable, allowing us to reduce the distribution collection comparison problem to a more familiar mean testing problem in a Hilbert space. We provide two testing procedures one based on resampling and another on combining p-values from coordinate-wise tests. Our experiments in various synthetic and real data settings show that the resulting tests are powerful and the p-values are well-calibrated.

In this paper, we adopt the Universal Manifold Embedding (UME) framework for the estimation of rigid transformations and extend it, so that it can accommodate scenarios involving partial overlap and differently sampled point clouds. UME is a methodology designed for mapping observations of the same object, related by rigid transformations, into a single low-dimensional linear subspace. This process yields a transformation-invariant representation of the observations, with its matrix form representation being covariant (i.e. equivariant) with the transformation. We extend the UME framework by introducing a UME-compatible feature extraction method augmented with a unique UME contrastive loss and a sampling equalizer. These components are integrated into a comprehensive and robust registration pipeline, named UMERegRobust. We propose the RotKITTI registration benchmark, specifically tailored to evaluate registration methods for scenarios involving large rotations. UMERegRobust achieves better than state-of-the-art performance on the KITTI benchmark, especially when strict precision of (1{\deg}, 10cm) is considered (with an average gain of +9%), and notably outperform SOTA methods on the RotKITTI benchmark (with +45% gain compared the most recent SOTA method).

UMAP (Uniform Manifold Approximation and Projection) is a novel manifold learning technique for dimension reduction. UMAP is constructed from a theoretical framework based in Riemannian geometry and algebraic topology. The result is a practical scalable algorithm that applies to real world data. The UMAP algorithm is competitive with t-SNE for visualization quality, and arguably preserves more of the global structure with superior run time performance. Furthermore, UMAP has no computational restrictions on embedding dimension, making it viable as a general purpose dimension reduction technique for machine learning.

Diffusion and flow models have become the dominant paradigm for generative modeling on Riemannian manifolds, with successful applications in protein backbone generation and DNA sequence design. However, these methods require tens to hundreds of neural network evaluations at inference time, which can become a computational bottleneck in large-scale scientific sampling workflows. We introduce Riemannian MeanFlow~(RMF), a framework for learning flow maps directly on manifolds, enabling high-quality generations with as few as one forward pass. We derive three equivalent characterizations of the manifold average velocity (Eulerian, Lagrangian, and semigroup identities), and analyze parameterizations and stabilization techniques to improve training on high-dimensional manifolds. In promoter DNA design and protein backbone generation settings, RMF achieves comparable sample quality to prior methods while requiring up to 10times fewer function evaluations. Finally, we show that few-step flow maps enable efficient reward-guided design through reward look-ahead, where terminal states can be predicted from intermediate steps at minimal additional cost.

Simulations are the best approximation to experimental laboratories in astrophysics and cosmology. However, the complexity, richness, and large size of their outputs severely limit the interpretability of their predictions. We describe a new, unbiased, and machine learning based approach to obtaining useful scientific insights from a broad range of simulations. The method can be used on today's largest simulations and will be essential to solve the extreme data exploration and analysis challenges posed by the Exascale era. Furthermore, this concept is so flexible, that it will also enable explorative access to observed data. Our concept is based on applying nonlinear dimensionality reduction to learn compact representations of the data in a low-dimensional space. The simulation data is projected onto this space for interactive inspection, visual interpretation, sample selection, and local analysis. We present a prototype using a rotational invariant hyperspherical variational convolutional autoencoder, utilizing a power distribution in the latent space, and trained on galaxies from IllustrisTNG simulation. Thereby, we obtain a natural Hubble tuning fork like similarity space that can be visualized interactively on the surface of a sphere by exploiting the power of HiPS tilings in Aladin Lite.

Practitioners prune neural networks for efficiency gains and generalization improvements, but few scrutinize the factors determining the prunability of a neural network the maximum fraction of weights that pruning can remove without compromising the model's test accuracy. In this work, we study the properties of input data that may contribute to the prunability of a neural network. For high dimensional input data such as images, text, and audio, the manifold hypothesis suggests that these high dimensional inputs approximately lie on or near a significantly lower dimensional manifold. Prior work demonstrates that the underlying low dimensional structure of the input data may affect the sample efficiency of learning. In this paper, we investigate whether the low dimensional structure of the input data affects the prunability of a neural network.

Recent findings suggest that consecutive layers of neural networks with the ReLU activation function fold the input space during the learning process. While many works hint at this phenomenon, an approach to quantify the folding was only recently proposed by means of a space folding measure based on Hamming distance in the ReLU activation space. We generalize this measure to a wider class of activation functions through introduction of equivalence classes of input data, analyse its mathematical and computational properties and come up with an efficient sampling strategy for its implementation. Moreover, it has been observed that space folding values increase with network depth when the generalization error is low, but decrease when the error increases. This underpins that learned symmetries in the data manifold (e.g., invariance under reflection) become visible in terms of space folds, contributing to the network's generalization capacity. Inspired by these findings, we outline a novel regularization scheme that encourages the network to seek solutions characterized by higher folding values.

Classifier-free guidance (CFG) is a widely used technique for controllable generation in diffusion and flow-based models. Despite its empirical success, CFG relies on a heuristic linear extrapolation that is often sensitive to the guidance scale. In this work, we provide a principled interpretation of CFG through the lens of optimization. We demonstrate that the velocity field in flow matching corresponds to the gradient of a sequence of smoothed distance functions, which guides latent variables toward the scaled target image set. This perspective reveals that the standard CFG formulation is an approximation of this gradient, where the prediction gap, the discrepancy between conditional and unconditional outputs, governs guidance sensitivity. Leveraging this insight, we reformulate the CFG sampling as a homotopy optimization with a manifold constraint. This formulation necessitates a manifold projection step, which we implement via an incremental gradient descent scheme during sampling. To improve computational efficiency and stability, we further enhance this iterative process with Anderson Acceleration without requiring additional model evaluations. Our proposed methods are training-free and consistently refine generation fidelity, prompt alignment, and robustness to the guidance scale. We validate their effectiveness across diverse benchmarks, demonstrating significant improvements on large-scale models such as DiT-XL-2-256, Flux, and Stable Diffusion 3.5.

We present a faster algorithm to generate a warm start for sampling an arbitrary logconcave density specified by an evaluation oracle, leading to the first sub-cubic sampling algorithms for inputs in (near-)isotropic position. A long line of prior work incurred a warm-start penalty of at least linear in the dimension, hitting a cubic barrier, even for the special case of uniform sampling from convex bodies. Our improvement relies on two key ingredients of independent interest. (1) We show how to sample given a warm start in weaker notions of distance, in particular q-R\'enyi divergence for q=mathcal{O}(1), whereas previous analyses required stringent infty-R\'enyi divergence (with the exception of Hit-and-Run, whose known mixing time is higher). This marks the first improvement in the required warmness since Lov\'asz and Simonovits (1991). (2) We refine and generalize the log-Sobolev inequality of Lee and Vempala (2018), originally established for isotropic logconcave distributions in terms of the diameter of the support, to logconcave distributions in terms of a geometric average of the support diameter and the largest eigenvalue of the covariance matrix.

In standard transformer attention, a source token sends the same value vector to every receiver. The query determines how much to attend but not what to extract. This work introduces attention manifolds: learned 2D B-spline surfaces S_d(q_d, k_d) that modulate each value dimension based on the query-key interaction. Each surface is a tensor-product cubic B-spline initialized to zero, preserving pretrained behavior. Applied to LLaMA 3.2-1B-Instruct and 3B-Instruct, attention manifolds reduce WikiText-2 validation perplexity by 2--2.5 points with 0.3\% parameter overhead. Across 112 diverse prompts, surfaces change greedy-decoded output for 69\% (1B) to 83\% (3B) of cases, with the strongest effects on ambiguous and polysemous inputs (94--100\% change rate). The surfaces improve output quality: correcting factual errors (``the CAP theorem has three main components'' to ``it is impossible to guarantee all three''), increasing precision (``impossible to know certain properties'' to ``impossible to know both position and momentum''), and adding specificity (a generic quote to an attributed Saint Augustine citation, consistently at both scales). The learned surfaces are also mechanically editable: inverting a layer's coefficients changes greedy output for 9/10 prompts (KL~0.010), providing a geometric mechanism for model steering. Setting surface coefficients to -1 creates ``attention walls'' that block value flow through specific dimensions. In a preliminary experiment, a layer-wide wall redirects an explosive-device prompt from specific instructions to general educational content, suggesting a path toward safety-oriented manifold shaping.

We resolve difficulties in training and sampling from a discrete generative model by learning a smoothed energy function, sampling from the smoothed data manifold with Langevin Markov chain Monte Carlo (MCMC), and projecting back to the true data manifold with one-step denoising. Our Discrete Walk-Jump Sampling formalism combines the contrastive divergence training of an energy-based model and improved sample quality of a score-based model, while simplifying training and sampling by requiring only a single noise level. We evaluate the robustness of our approach on generative modeling of antibody proteins and introduce the distributional conformity score to benchmark protein generative models. By optimizing and sampling from our models for the proposed distributional conformity score, 97-100% of generated samples are successfully expressed and purified and 70% of functional designs show equal or improved binding affinity compared to known functional antibodies on the first attempt in a single round of laboratory experiments. We also report the first demonstration of long-run fast-mixing MCMC chains where diverse antibody protein classes are visited in a single MCMC chain.

We study the realizability of simplicial complexes with a given pair of integer sequences, representing the node degree distribution and the facet size distribution, respectively. While the s-uniform variant of the problem is NP-complete when s geq 3, we identify two populations of input sequences, most of which can be solved in polynomial time using a recursive algorithm that we contribute. Combining with a sampler for the simplicial configuration model [J.-G. Young et al., Phys. Rev. E 96, 032312 (2017)], we facilitate the efficient sampling of simplicial ensembles from arbitrary degree and size distributions. We find that, contrary to expectations based on dyadic networks, increasing the nodes' degrees reduces the number of loops in simplicial complexes. Our work unveils a fundamental constraint on the degree-size sequences and sheds light on further analysis of higher-order phenomena based on local structures.

Diffusion policies have recently emerged as a powerful class of visuomotor controllers for robot manipulation, offering stable training and expressive multi-modal action modeling. However, existing approaches typically treat action generation as an unconstrained denoising process, ignoring valuable a priori knowledge about geometry and control structure. In this work, we propose the Adaptive Diffusion Policy (ADP), a test-time adaptation method that introduces two key inductive biases into the diffusion. First, we embed a geometric manifold constraint that aligns denoising updates with task-relevant subspaces, leveraging the fact that the relative pose between the end-effector and target scene provides a natural gradient direction, and guiding denoising along the geodesic path of the manipulation manifold. Then, to reduce unnecessary exploration and accelerate convergence, we propose an analytically guided initialization: rather than sampling from an uninformative prior, we compute a rough registration between the gripper and target scenes to propose a structured initial noisy action. ADP is compatible with pre-trained diffusion policies and requires no retraining, enabling test-time adaptation that tailors the policy to specific tasks, thereby enhancing generalization across novel tasks and environments. Experiments on RLBench, CALVIN, and real-world datasets show that ADPro, an implementation of ADP, improves success rates, generalization, and sampling efficiency, achieving up to 25% faster execution and 9% points over strong diffusion baselines.

Recent years have witnessed significant progress in developing efficient training and fast sampling approaches for diffusion models. A recent remarkable advancement is the use of stochastic differential equations (SDEs) to describe data perturbation and generative modeling in a unified mathematical framework. In this paper, we reveal several intriguing geometric structures of diffusion models and contribute a simple yet powerful interpretation to their sampling dynamics. Through carefully inspecting a popular variance-exploding SDE and its marginal-preserving ordinary differential equation (ODE) for sampling, we discover that the data distribution and the noise distribution are smoothly connected with an explicit, quasi-linear sampling trajectory, and another implicit denoising trajectory, which even converges faster in terms of visual quality. We also establish a theoretical relationship between the optimal ODE-based sampling and the classic mean-shift (mode-seeking) algorithm, with which we can characterize the asymptotic behavior of diffusion models and identify the score deviation. These new geometric observations enable us to improve previous sampling algorithms, re-examine latent interpolation, as well as re-explain the working principles of distillation-based fast sampling techniques.

State space models (SSM) have been widely applied for the analysis and visualization of large sequential datasets. Sequential Monte Carlo (SMC) is a very popular particle-based method to sample latent states from intractable posteriors. However, SSM is significantly influenced by the choice of the proposal. Recently Hamiltonian Monte Carlo (HMC) sampling has shown success in many practical problems. In this paper, we propose an SMC augmented by HMC (HSMC) for inference and model learning of nonlinear SSM, which can exempt us from learning proposals and reduce the model complexity significantly. Based on the measure preserving property of HMC, the particles directly generated by transition function can approximate the posterior of latent states arbitrarily well. In order to better adapt to the local geometry of latent space, the HMC is conducted on Riemannian manifold defined by a positive definite metric. In addition, we show that the proposed HSMC method can improve SSMs realized by both Gaussian Processes (GP) and Neural Network (NN).

With diffusion and flow matching models achieving state-of-the-art generating performance, the interest of the community now turned to reducing the inference time without sacrificing sample quality. Consistency Models (CMs), which are trained to be consistent on diffusion or probability flow ordinary differential equation (PF-ODE) trajectories, enable one or two-step flow or diffusion sampling. However, CMs typically require prolonged training with large batch sizes to obtain competitive sample quality. In this paper, we examine the training dynamics of CMs near convergence and discover that CM tangents -- CM output update directions -- are quite oscillatory, in the sense that they move parallel to the data manifold, not towards the manifold. To mitigate oscillatory tangents, we propose a new loss function, called the manifold feature distance (MFD), which provides manifold-aligned tangents that point toward the data manifold. Consequently, our method -- dubbed Align Your Tangent (AYT) -- can accelerate CM training by orders of magnitude and even out-perform the learned perceptual image patch similarity metric (LPIPS). Furthermore, we find that our loss enables training with extremely small batch sizes without compromising sample quality. Code: https://github.com/1202kbs/AYT

Processing large point clouds is a challenging task. Therefore, the data is often sampled to a size that can be processed more easily. The question is how to sample the data? A popular sampling technique is Farthest Point Sampling (FPS). However, FPS is agnostic to a downstream application (classification, retrieval, etc.). The underlying assumption seems to be that minimizing the farthest point distance, as done by FPS, is a good proxy to other objective functions. We show that it is better to learn how to sample. To do that, we propose a deep network to simplify 3D point clouds. The network, termed S-NET, takes a point cloud and produces a smaller point cloud that is optimized for a particular task. The simplified point cloud is not guaranteed to be a subset of the original point cloud. Therefore, we match it to a subset of the original points in a post-processing step. We contrast our approach with FPS by experimenting on two standard data sets and show significantly better results for a variety of applications. Our code is publicly available at: https://github.com/orendv/learning_to_sample

Neural volume rendering became increasingly popular recently due to its success in synthesizing novel views of a scene from a sparse set of input images. So far, the geometry learned by neural volume rendering techniques was modeled using a generic density function. Furthermore, the geometry itself was extracted using an arbitrary level set of the density function leading to a noisy, often low fidelity reconstruction. The goal of this paper is to improve geometry representation and reconstruction in neural volume rendering. We achieve that by modeling the volume density as a function of the geometry. This is in contrast to previous work modeling the geometry as a function of the volume density. In more detail, we define the volume density function as Laplace's cumulative distribution function (CDF) applied to a signed distance function (SDF) representation. This simple density representation has three benefits: (i) it provides a useful inductive bias to the geometry learned in the neural volume rendering process; (ii) it facilitates a bound on the opacity approximation error, leading to an accurate sampling of the viewing ray. Accurate sampling is important to provide a precise coupling of geometry and radiance; and (iii) it allows efficient unsupervised disentanglement of shape and appearance in volume rendering. Applying this new density representation to challenging scene multiview datasets produced high quality geometry reconstructions, outperforming relevant baselines. Furthermore, switching shape and appearance between scenes is possible due to the disentanglement of the two.

We explore the problem of generating minority samples using diffusion models. The minority samples are instances that lie on low-density regions of a data manifold. Generating a sufficient number of such minority instances is important, since they often contain some unique attributes of the data. However, the conventional generation process of the diffusion models mostly yields majority samples (that lie on high-density regions of the manifold) due to their high likelihoods, making themselves ineffective and time-consuming for the minority generating task. In this work, we present a novel framework that can make the generation process of the diffusion models focus on the minority samples. We first highlight that Tweedie's denoising formula yields favorable results for majority samples. The observation motivates us to introduce a metric that describes the uniqueness of a given sample. To address the inherent preference of the diffusion models w.r.t. the majority samples, we further develop minority guidance, a sampling technique that can guide the generation process toward regions with desired likelihood levels. Experiments on benchmark real datasets demonstrate that our minority guidance can greatly improve the capability of generating high-quality minority samples over existing generative samplers. We showcase that the performance benefit of our framework persists even in demanding real-world scenarios such as medical imaging, further underscoring the practical significance of our work. Code is available at https://github.com/soobin-um/minority-guidance.

Recent advances in generative models highlight the power of geometry-aware modeling in manifold-constrained settings. Yet, for natural images, the field remains confined to Euclidean assumptions, failing to exploit the potential of intrinsic geometric structures within the data. In this work, we investigate the geometry of natural images and observe that semantic information is predominantly encoded in directional components, while norm components can be approximated by the global average. This property holds across both RGB and latent spaces, suggesting that natural images can be effectively modeled on a hypersphere. Building on this finding, we introduce Spherical Optimal Transport Flow Matching (SOT-CFM), which utilizes angular distance, and Spherical Flow Matching (SFM), which constrains dynamics directly on the manifold. Our experiments demonstrate that these geometry-aware methods achieve superior performance against Euclidean baselines. Ultimately, this work provides a novel perspective that bridges the gap between Riemannian manifold-based modeling and natural image generation.

State-of-the-art flow models generate stunning images from text or image prompts. However, they suffer from diversity collapse when generating multiple samples under the same conditioning. Existing methods address this issue via either latent guidance, which has limited effectiveness, or sample selection, which relies on external reward models that incur significant inference-time overhead. In this work, we introduce an efficient, training-free self-guidance mechanism to mitigate diversity collapse without requiring additional reward models. Specifically, we disperse the internal features of the flow model during batch generation with feature self-guidance. Further, to keep the features close to the manifold, we introduce a manifold regularization step that projects these dispersed features back onto the data manifold, ensuring diverse generation without sacrificing alignment with the input conditions. Our method integrates seamlessly as a plug-and-play module into pretrained flow models, adding only a marginal inference cost. Experiments demonstrate significant improvements in diversity while preserving fidelity across several conditional flow models, including multi-step and few-step text-to-image, depth-to-image, and reference image generation.

Timestep sampling p(t) is a central design choice in Flow Matching models, yet common practice increasingly favors static middle-biased distributions (e.g., Logit-Normal). We show that this choice induces a speed--quality trade-off: middle-biased sampling accelerates early convergence but yields worse asymptotic fidelity than Uniform sampling. By analyzing per-timestep training losses, we identify a U-shaped difficulty profile with persistent errors near the boundary regimes, implying that under-sampling the endpoints leaves fine details unresolved. Guided by this insight, we propose Curriculum Sampling, a two-phase schedule that begins with middle-biased sampling for rapid structure learning and then switches to Uniform sampling for boundary refinement. On CIFAR-10, Curriculum Sampling improves the best FID from 3.85 (Uniform) to 3.22 while reaching peak performance at 100k rather than 150k training steps. Our results highlight that timestep sampling should be treated as an evolving curriculum rather than a fixed hyperparameter.

Intelligent agents progress by continually refining their capabilities through actively exploring environments. Yet robot policies often lack sufficient exploration capability due to action mode collapse. Existing methods that encourage exploration typically rely on random perturbations, which are unsafe and induce unstable, erratic behaviors, thereby limiting their effectiveness. We propose Self-Improvement via On-Manifold Exploration (SOE), a framework that enhances policy exploration and improvement in robotic manipulation. SOE learns a compact latent representation of task-relevant factors and constrains exploration to the manifold of valid actions, ensuring safety, diversity, and effectiveness. It can be seamlessly integrated with arbitrary policy models as a plug-in module, augmenting exploration without degrading the base policy performance. Moreover, the structured latent space enables human-guided exploration, further improving efficiency and controllability. Extensive experiments in both simulation and real-world tasks demonstrate that SOE consistently outperforms prior methods, achieving higher task success rates, smoother and safer exploration, and superior sample efficiency. These results establish on-manifold exploration as a principled approach to sample-efficient policy self-improvement. Project website: https://ericjin2002.github.io/SOE

We introduce a new generative model where samples are produced via Langevin dynamics using gradients of the data distribution estimated with score matching. Because gradients can be ill-defined and hard to estimate when the data resides on low-dimensional manifolds, we perturb the data with different levels of Gaussian noise, and jointly estimate the corresponding scores, i.e., the vector fields of gradients of the perturbed data distribution for all noise levels. For sampling, we propose an annealed Langevin dynamics where we use gradients corresponding to gradually decreasing noise levels as the sampling process gets closer to the data manifold. Our framework allows flexible model architectures, requires no sampling during training or the use of adversarial methods, and provides a learning objective that can be used for principled model comparisons. Our models produce samples comparable to GANs on MNIST, CelebA and CIFAR-10 datasets, achieving a new state-of-the-art inception score of 8.87 on CIFAR-10. Additionally, we demonstrate that our models learn effective representations via image inpainting experiments.

What is the geometry of a visual percept? The most widely used protocols for decomposing neural network representations into interpretable parts treat concepts as isolated directions, yet recent work shows that concepts are often realized as geometric structures in low dimensional regions of activation space. We turn to the literature of Structured sparsity to close this gap, and show that block sparsity, which groups directions into blocks, is the prior matched to a generative model in which a representation is a sparse sum of low-dimensional manifolds: the modern, learned form of a classical idea in visual neuroscience, where a visual feature is carried by a coordinated group of neurons rather than a single tuned one. We implement three variants of block-sparse featurizers (BSFs) and, through a minimum-description-length analysis, show that all three describe activations more compactly than direction-based featurizers, with the recovered concepts typically two- to four-dimensional. We then use BSFs to (i) recontextualize prior work, showing that curve detectors in InceptionV1 actually read from a single continuous curve manifold, (ii) discover novel manifolds including shadows and lighting in DINOv3, and (iii) support interpretable control of image generation in diffusion models (SDXL) via manifold steering.

Determinantal point processes (DPPs) are distributions over sets of items that model diversity using kernels. Their applications in machine learning include summary extraction and recommendation systems. Yet, the cost of sampling from a DPP is prohibitive in large-scale applications, which has triggered an effort towards efficient approximate samplers. We build a novel MCMC sampler that combines ideas from combinatorial geometry, linear programming, and Monte Carlo methods to sample from DPPs with a fixed sample cardinality, also called projection DPPs. Our sampler leverages the ability of the hit-and-run MCMC kernel to efficiently move across convex bodies. Previous theoretical results yield a fast mixing time of our chain when targeting a distribution that is close to a projection DPP, but not a DPP in general. Our empirical results demonstrate that this extends to sampling projection DPPs, i.e., our sampler is more sample-efficient than previous approaches which in turn translates to faster convergence when dealing with costly-to-evaluate functions, such as summary extraction in our experiments.

Dimensionality reduction is crucial both for visualization and preprocessing high dimensional data for machine learning. We introduce a novel method based on a hierarchy built on 1-nearest neighbor graphs in the original space which is used to preserve the grouping properties of the data distribution on multiple levels. The core of the proposal is an optimization-free projection that is competitive with the latest versions of t-SNE and UMAP in performance and visualization quality while being an order of magnitude faster in run-time. Furthermore, its interpretable mechanics, the ability to project new data, and the natural separation of data clusters in visualizations make it a general purpose unsupervised dimension reduction technique. In the paper, we argue about the soundness of the proposed method and evaluate it on a diverse collection of datasets with sizes varying from 1K to 11M samples and dimensions from 28 to 16K. We perform comparisons with other state-of-the-art methods on multiple metrics and target dimensions highlighting its efficiency and performance. Code is available at https://github.com/koulakis/h-nne

We present a new and general framework for convolutional neural network operations on spherical (or omnidirectional) images. Our approach represents the surface as a graph of connected points that doesn't rely on a particular sampling strategy. Additionally, by using an interpolated version of SelectionConv, we can operate on the sphere while using existing 2D CNNs and their weights. Since our method leverages existing graph implementations, it is also fast and can be fine-tuned efficiently. Our method is also general enough to be applied to any surface type, even those that are topologically non-simple. We demonstrate the effectiveness of our technique on the tasks of style transfer and segmentation for spheres as well as stylization for 3D meshes. We provide a thorough ablation study of the performance of various spherical sampling strategies.

Deep neural networks can approximate functions on different types of data, from images to graphs, with varied underlying structure. This underlying structure can be viewed as the geometry of the data manifold. By extending recent advances in the theoretical understanding of neural networks, we study how a randomly initialized neural network with piece-wise linear activation splits the data manifold into regions where the neural network behaves as a linear function. We derive bounds on the density of boundary of linear regions and the distance to these boundaries on the data manifold. This leads to insights into the expressivity of randomly initialized deep neural networks on non-Euclidean data sets. We empirically corroborate our theoretical results using a toy supervised learning problem. Our experiments demonstrate that number of linear regions varies across manifolds and the results hold with changing neural network architectures. We further demonstrate how the complexity of linear regions is different on the low dimensional manifold of images as compared to the Euclidean space, using the MetFaces dataset.

Recent advances in fast sampling methods for diffusion models have demonstrated significant potential to accelerate generation on image modalities. We apply these methods to 3-dimensional molecular conformations by building on the recently introduced GeoLDM equivariant latent diffusion model (Xu et al., 2023). We evaluate trade-offs between speed gains and quality loss, as measured by molecular conformation structural stability. We introduce Equivariant Latent Progressive Distillation, a fast sampling algorithm that preserves geometric equivariance and accelerates generation from latent diffusion models. Our experiments demonstrate up to 7.5x gains in sampling speed with limited degradation in molecular stability. These results suggest this accelerated sampling method has strong potential for high-throughput in silico molecular conformations screening in computational biochemistry, drug discovery, and life sciences applications.

Diffusion models (DMs) have achieved state-of-the-art generative performance but suffer from high sampling latency due to their sequential denoising nature. Existing solver-based acceleration methods often face significant image quality degradation under a low-latency budget, primarily due to accumulated truncation errors arising from the inability to capture high-curvature trajectory segments. In this paper, we propose the Ensemble Parallel Direction solver (dubbed as EPD-Solver), a novel ODE solver that mitigates these errors by incorporating multiple parallel gradient evaluations in each step. Motivated by the geometric insight that sampling trajectories are largely confined to a low-dimensional manifold, EPD-Solver leverages the Mean Value Theorem for vector-valued functions to approximate the integral solution more accurately. Importantly, since the additional gradient computations are independent, they can be fully parallelized, preserving low-latency sampling nature. We introduce a two-stage optimization framework. Initially, EPD-Solver optimizes a small set of learnable parameters via a distillation-based approach. We further propose a parameter-efficient Reinforcement Learning (RL) fine-tuning scheme that reformulates the solver as a stochastic Dirichlet policy. Unlike traditional methods that fine-tune the massive backbone, our RL approach operates strictly within the low-dimensional solver space, effectively mitigating reward hacking while enhancing performance in complex text-to-image (T2I) generation tasks. In addition, our method is flexible and can serve as a plugin (EPD-Plugin) to improve existing ODE samplers.

We tackle the problem of sampling from intractable high-dimensional density functions, a fundamental task that often appears in machine learning and statistics. We extend recent sampling-based approaches that leverage controlled stochastic processes to model approximate samples from these target densities. The main drawback of these approaches is that the training objective requires full trajectories to compute, resulting in sluggish credit assignment issues due to use of entire trajectories and a learning signal present only at the terminal time. In this work, we present Diffusion Generative Flow Samplers (DGFS), a sampling-based framework where the learning process can be tractably broken down into short partial trajectory segments, via parameterizing an additional "flow function". Our method takes inspiration from the theory developed for generative flow networks (GFlowNets), allowing us to make use of intermediate learning signals. Through various challenging experiments, we demonstrate that DGFS achieves more accurate estimates of the normalization constant than closely-related prior methods.

This paper investigates the generalization of Principal Component Analysis (PCA) to Riemannian manifolds. We first propose a new and general type of family of subspaces in manifolds that we call barycentric subspaces. They are implicitly defined as the locus of points which are weighted means of k+1 reference points. As this definition relies on points and not on tangent vectors, it can also be extended to geodesic spaces which are not Riemannian. For instance, in stratified spaces, it naturally allows principal subspaces that span several strata, which is impossible in previous generalizations of PCA. We show that barycentric subspaces locally define a submanifold of dimension k which generalizes geodesic subspaces.Second, we rephrase PCA in Euclidean spaces as an optimization on flags of linear subspaces (a hierarchy of properly embedded linear subspaces of increasing dimension). We show that the Euclidean PCA minimizes the Accumulated Unexplained Variances by all the subspaces of the flag (AUV). Barycentric subspaces are naturally nested, allowing the construction of hierarchically nested subspaces. Optimizing the AUV criterion to optimally approximate data points with flags of affine spans in Riemannian manifolds lead to a particularly appealing generalization of PCA on manifolds called Barycentric Subspaces Analysis (BSA).

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.

Established sampling protocols for 3D point cloud learning, such as Farthest Point Sampling (FPS) and Fixed Sample Size (FSS), have long been relied upon. However, real-world data often suffer from corruptions, such as sensor noise, which violates the benign data assumption in current protocols. As a result, these protocols are highly vulnerable to noise, posing significant safety risks in critical applications like autonomous driving. To address these issues, we propose an enhanced point cloud sampling protocol, PointSP, designed to improve robustness against point cloud corruptions. PointSP incorporates key point reweighting to mitigate outlier sensitivity and ensure the selection of representative points. It also introduces a local-global balanced downsampling strategy, which allows for scalable and adaptive sampling while maintaining geometric consistency. Additionally, a lightweight tangent plane interpolation method is used to preserve local geometry while enhancing the density of the point cloud. Unlike learning-based approaches that require additional model training, PointSP is architecture-agnostic, requiring no extra learning or modification to the network. This enables seamless integration into existing pipelines. Extensive experiments on synthetic and real-world corrupted datasets show that PointSP significantly improves the robustness and accuracy of point cloud classification, outperforming state-of-the-art methods across multiple benchmarks.

Sampling-based algorithms are viewed as practical solutions for high-dimensional motion planning. Recent progress has taken advantage of random geometric graph theory to show how asymptotic optimality can also be achieved with these methods. Achieving this desirable property for systems with dynamics requires solving a two-point boundary value problem (BVP) in the state space of the underlying dynamical system. It is difficult, however, if not impractical, to generate a BVP solver for a variety of important dynamical models of robots or physically simulated ones. Thus, an open challenge was whether it was even possible to achieve optimality guarantees when planning for systems without access to a BVP solver. This work resolves the above question and describes how to achieve asymptotic optimality for kinodynamic planning using incremental sampling-based planners by introducing a new rigorous framework. Two new methods, Stable Sparse-RRT (SST) and SST*, result from this analysis, which are asymptotically near-optimal and optimal, respectively. The techniques are shown to converge fast to high-quality paths, while they maintain only a sparse set of samples, which makes them computationally efficient. The good performance of the planners is confirmed by experimental results using dynamical systems benchmarks, as well as physically simulated robots.

Denoising is intuitively related to projection. Indeed, under the manifold hypothesis, adding random noise is approximately equivalent to orthogonal perturbation. Hence, learning to denoise is approximately learning to project. In this paper, we use this observation to reinterpret denoising diffusion models as approximate gradient descent applied to the Euclidean distance function. We then provide straight-forward convergence analysis of the DDIM sampler under simple assumptions on the projection-error of the denoiser. Finally, we propose a new sampler based on two simple modifications to DDIM using insights from our theoretical results. In as few as 5-10 function evaluations, our sampler achieves state-of-the-art FID scores on pretrained CIFAR-10 and CelebA models and can generate high quality samples on latent diffusion models.

The rapidly growing field of single-cell transcriptomic sequencing (scRNAseq) presents challenges for data analysis due to its massive datasets. A common method in manifold learning consists in hypothesizing that datasets lie on a lower dimensional manifold. This allows to study the geometry of point clouds by extracting meaningful descriptors like curvature. In this work, we will present Adaptive Local PCA (AdaL-PCA), a data-driven method for accurately estimating various notions of intrinsic curvature on data manifolds, in particular principal curvatures for surfaces. The model relies on local PCA to estimate the tangent spaces. The evaluation of AdaL-PCA on sampled surfaces shows state-of-the-art results. Combined with a PHATE embedding, the model applied to single-cell RNA sequencing data allows us to identify key variations in the cellular differentiation.

Do contemporary diffusion models preserve the class geometry of hyperspherical data? Standard diffusion models rely on isotropic Gaussian noise in the forward process, inherently favoring Euclidean spaces. However, many real-world problems involve non-Euclidean distributions, such as hyperspherical manifolds, where class-specific patterns are governed by angular geometry within hypercones. When modeled in Euclidean space, these angular subtleties are lost, leading to suboptimal generative performance. To address this limitation, we introduce HyperSphereDiff to align hyperspherical structures with directional noise, preserving class geometry and effectively capturing angular uncertainty. We demonstrate both theoretically and empirically that this approach aligns the generative process with the intrinsic geometry of hyperspherical data, resulting in more accurate and geometry-aware generative models. We evaluate our framework on four object datasets and two face datasets, showing that incorporating angular uncertainty better preserves the underlying hyperspherical manifold. Resources are available at: {https://github.com/IAB-IITJ/Harmonizing-Geometry-and-Uncertainty-Diffusion-with-Hyperspheres/}

Recently, diffusion models have been widely adopted in generative modeling and have served as foundational models for many image generation tasks. To control the generation without costly re-training or fine-tuning, many works seek inference-time guidance methods to steer the latent via a differentiable objective at inference time. However, these methods cannot effectively preserve the original Gaussian distribution because they introduce distributional drift, thereby degrading the sample quality. To address this gap, we propose DiffRGD, a distribution-aware guidance framework that explicitly preserves the latent Gaussian structure. DiffRGD formulates each sampling step as a constrained optimization problem on a spherical manifold induced by the latent Gaussian distribution, and solves it efficiently via Riemannian Gradient Descent (RGD). DiffRGD is a plug-and-play method that can be seamlessly integrated into any pre-trained diffusion model. Extensive experiments demonstrate that DiffRGD outperforms previous methods in most image restoration and conditional generation tasks. Our project page is available at https://diffrgd.github.io/.

In a graph convolutional network, we assume that the graph G is generated wrt some observation noise. During learning, we make small random perturbations ΔG of the graph and try to improve generalization. Based on quantum information geometry, ΔG can be characterized by the eigendecomposition of the graph Laplacian matrix. We try to minimize the loss wrt the perturbed G+Δ{G} while making Δ{G} to be effective in terms of the Fisher information of the neural network. Our proposed model can consistently improve graph convolutional networks on semi-supervised node classification tasks with reasonable computational overhead. We present three different geometries on the manifold of graphs: the intrinsic geometry measures the information theoretic dynamics of a graph; the extrinsic geometry characterizes how such dynamics can affect externally a graph neural network; the embedding geometry is for measuring node embeddings. These new analytical tools are useful in developing a good understanding of graph neural networks and fostering new techniques.

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.

In large scale machine learning, random sampling is a popular way to approximate datasets by a small representative subset of examples. In particular, sensitivity sampling is an intensely studied technique which provides provable guarantees on the quality of approximation, while reducing the number of examples to the product of the VC dimension d and the total sensitivity mathfrak S in remarkably general settings. However, guarantees going beyond this general bound of mathfrak S d are known in perhaps only one setting, for ell_2 subspace embeddings, despite intense study of sensitivity sampling in prior work. In this work, we show the first bounds for sensitivity sampling for ell_p subspace embeddings for pneq 2 that improve over the general mathfrak S d bound, achieving a bound of roughly mathfrak S^{2/p} for 1leq p<2 and mathfrak S^{2-2/p} for 2<p<infty. For 1leq p<2, we show that this bound is tight, in the sense that there exist matrices for which mathfrak S^{2/p} samples is necessary. Furthermore, our techniques yield further new results in the study of sampling algorithms, showing that the root leverage score sampling algorithm achieves a bound of roughly d for 1leq p<2, and that a combination of leverage score and sensitivity sampling achieves an improved bound of roughly d^{2/p}mathfrak S^{2-4/p} for 2<p<infty. Our sensitivity sampling results yield the best known sample complexity for a wide class of structured matrices that have small ell_p sensitivity.

Remarkable advances have been achieved recently in learning neural representations that characterize object geometry, while generating textured objects suitable for downstream applications and 3D rendering remains at an early stage. In particular, reconstructing textured geometry from images of real objects is a significant challenge -- reconstructed geometry is often inexact, making realistic texturing a significant challenge. We present Mesh2Tex, which learns a realistic object texture manifold from uncorrelated collections of 3D object geometry and photorealistic RGB images, by leveraging a hybrid mesh-neural-field texture representation. Our texture representation enables compact encoding of high-resolution textures as a neural field in the barycentric coordinate system of the mesh faces. The learned texture manifold enables effective navigation to generate an object texture for a given 3D object geometry that matches to an input RGB image, which maintains robustness even under challenging real-world scenarios where the mesh geometry approximates an inexact match to the underlying geometry in the RGB image. Mesh2Tex can effectively generate realistic object textures for an object mesh to match real images observations towards digitization of real environments, significantly improving over previous state of the art.

We present Double-Helix Vision (DH), a geometry-based visual sampler that compresses 2D images into compact 1D signals using paired golden-ratio-inspired spiral trajectories. Rather than processing every pixel uniformly, DH employs two phase-shifted helices (Alpha and Beta, offset by 180 degrees) to sample the image with biologically-inspired foveation: high density at the center, sparse coverage at the periphery. At 4K resolution, DH achieves a 1,433x compression ratio (99.93% reduction) while preserving the geometric structure of the scene. The full perception pipeline -- including spatial mapping, temporal collision detection, and intra-frame structural disparity estimation -- runs in 0.52 ms at 1080p on CPU-only hardware, with no neural network dependencies. On CIFAR-10 at extreme sampling budgets (K=128 points per helix), DH achieves a +6.03% accuracy gain over uniform random sampling. A JSON-serializable Robotics API is provided, delivering sub-millisecond spatial perception reports in 2.7 KB packets. Code and benchmarks are available under the MIT License.

Sparse autoencoders (SAEs) are widely used to extract interpretable features from neural network representations, often under the implicit assumption that concepts correspond to independent linear directions. However, a growing body of evidence suggests that many concepts are instead organized along low-dimensional manifolds encoding continuous geometric relationships. This raises three basic questions: what does it mean for an SAE to capture a manifold, when do existing SAE architectures do so, and how? We develop a theoretical framework that answers these questions and show that SAEs can capture manifolds in two fundamentally different ways: globally, by allocating a compact group of atoms whose linear span contains the entire manifold, or locally, by distributing it across features that each selectively tile a restricted region of the underlying geometry. Empirically, we find that SAEs suboptimally recover continuous structures, mixing the global subspace and local tiling solutions in a fragmented regime we call dilution. This explains why manifold structure is rarely visible at the level of individual concepts and motivates post-hoc unsupervised discovery methods that search for coherent groups of atoms rather than isolated directions. More broadly, our results suggest that future representation learning methods should treat geometric objects, not just individual directions, as the basic units of interpretability.

Several first order stochastic optimization methods commonly used in the Euclidean domain such as stochastic gradient descent (SGD), accelerated gradient descent or variance reduced methods have already been adapted to certain Riemannian settings. However, some of the most popular of these optimization tools - namely Adam , Adagrad and the more recent Amsgrad - remain to be generalized to Riemannian manifolds. We discuss the difficulty of generalizing such adaptive schemes to the most agnostic Riemannian setting, and then provide algorithms and convergence proofs for geodesically convex objectives in the particular case of a product of Riemannian manifolds, in which adaptivity is implemented across manifolds in the cartesian product. Our generalization is tight in the sense that choosing the Euclidean space as Riemannian manifold yields the same algorithms and regret bounds as those that were already known for the standard algorithms. Experimentally, we show faster convergence and to a lower train loss value for Riemannian adaptive methods over their corresponding baselines on the realistic task of embedding the WordNet taxonomy in the Poincare ball.

A very recent trend in generative modeling is building 3D-aware generators from 2D image collections. To induce the 3D bias, such models typically rely on volumetric rendering, which is expensive to employ at high resolutions. During the past months, there appeared more than 10 works that address this scaling issue by training a separate 2D decoder to upsample a low-resolution image (or a feature tensor) produced from a pure 3D generator. But this solution comes at a cost: not only does it break multi-view consistency (i.e. shape and texture change when the camera moves), but it also learns the geometry in a low fidelity. In this work, we show that it is possible to obtain a high-resolution 3D generator with SotA image quality by following a completely different route of simply training the model patch-wise. We revisit and improve this optimization scheme in two ways. First, we design a location- and scale-aware discriminator to work on patches of different proportions and spatial positions. Second, we modify the patch sampling strategy based on an annealed beta distribution to stabilize training and accelerate the convergence. The resulted model, named EpiGRAF, is an efficient, high-resolution, pure 3D generator, and we test it on four datasets (two introduced in this work) at 256^2 and 512^2 resolutions. It obtains state-of-the-art image quality, high-fidelity geometry and trains {approx} 2.5 times faster than the upsampler-based counterparts. Project website: https://universome.github.io/epigraf.

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.

Data quality and diversity are key to the construction of effective instruction-tuning datasets. % With the increasing availability of open-source instruction-tuning datasets, it is advantageous to automatically select high-quality and diverse subsets from a vast amount of data. % Existing methods typically prioritize instance quality and use heuristic rules to maintain diversity. % However, this absence of a comprehensive view of the entire collection often leads to suboptimal results. % Moreover, heuristic rules generally focus on distance or clustering within the embedding space, which fails to accurately capture the intent of complex instructions in the semantic space. % To bridge this gap, we propose a unified method for quantifying the information content of datasets. This method models the semantic space by constructing a label graph and quantifies diversity based on the distribution of information within the graph. % Based on such a measurement, we further introduce an efficient sampling method that selects data samples iteratively to Maximize the Information Gain (MIG) in semantic space. % Experiments on various datasets and base models demonstrate that MIG consistently outperforms state-of-the-art methods. % Notably, the model fine-tuned with 5\% Tulu3 data sampled by MIG achieves comparable performance to the official SFT model trained on the full dataset, with improvements of +5.73\% on AlpacaEval and +6.89\% on Wildbench.

Despite the recent advancements, conditional image generation still faces challenges of cost, generalizability, and the need for task-specific training. In this paper, we propose Manifold Preserving Guided Diffusion (MPGD), a training-free conditional generation framework that leverages pretrained diffusion models and off-the-shelf neural networks with minimal additional inference cost for a broad range of tasks. Specifically, we leverage the manifold hypothesis to refine the guided diffusion steps and introduce a shortcut algorithm in the process. We then propose two methods for on-manifold training-free guidance using pre-trained autoencoders and demonstrate that our shortcut inherently preserves the manifolds when applied to latent diffusion models. Our experiments show that MPGD is efficient and effective for solving a variety of conditional generation applications in low-compute settings, and can consistently offer up to 3.8x speed-ups with the same number of diffusion steps while maintaining high sample quality compared to the baselines.

This paper introduces a pipeline to parametrically sample and render multi-task vision datasets from comprehensive 3D scans from the real world. Changing the sampling parameters allows one to "steer" the generated datasets to emphasize specific information. In addition to enabling interesting lines of research, we show the tooling and generated data suffice to train robust vision models. Common architectures trained on a generated starter dataset reached state-of-the-art performance on multiple common vision tasks and benchmarks, despite having seen no benchmark or non-pipeline data. The depth estimation network outperforms MiDaS and the surface normal estimation network is the first to achieve human-level performance for in-the-wild surface normal estimation -- at least according to one metric on the OASIS benchmark. The Dockerized pipeline with CLI, the (mostly python) code, PyTorch dataloaders for the generated data, the generated starter dataset, download scripts and other utilities are available through our project website, https://omnidata.vision.

This paper presents a new, provably-convergent algorithm for computing the flag-mean and flag-median of a set of points on a flag manifold under the chordal metric. The flag manifold is a mathematical space consisting of flags, which are sequences of nested subspaces of a vector space that increase in dimension. The flag manifold is a superset of a wide range of known matrix spaces, including Stiefel and Grassmanians, making it a general object that is useful in a wide variety computer vision problems. To tackle the challenge of computing first order flag statistics, we first transform the problem into one that involves auxiliary variables constrained to the Stiefel manifold. The Stiefel manifold is a space of orthogonal frames, and leveraging the numerical stability and efficiency of Stiefel-manifold optimization enables us to compute the flag-mean effectively. Through a series of experiments, we show the competence of our method in Grassmann and rotation averaging, as well as principal component analysis. We release our source code under https://github.com/nmank/FlagAveraging.

A graph homomorphism is a map between two graphs that preserves adjacency relations. We consider the problem of sampling a random graph homomorphism from a graph into a large network. We propose two complementary MCMC algorithms for sampling random graph homomorphisms and establish bounds on their mixing times and the concentration of their time averages. Based on our sampling algorithms, we propose a novel framework for network data analysis that circumvents some of the drawbacks in methods based on independent and neighborhood sampling. Various time averages of the MCMC trajectory give us various computable observables, including well-known ones such as homomorphism density and average clustering coefficient and their generalizations. Furthermore, we show that these network observables are stable with respect to a suitably renormalized cut distance between networks. We provide various examples and simulations demonstrating our framework through synthetic networks. We also demonstrate the performance of our framework on the tasks of network clustering and subgraph classification on the Facebook100 dataset and on Word Adjacency Networks of a set of classic novels.

Reconstruction of magnetic resonance imaging (MRI) data has been positively affected by deep learning. A key challenge remains: to improve generalisation to distribution shifts between the training and testing data. Most approaches aim to address this via inductive design or data augmentation. However, they can be affected by misleading data, e.g. random noise, and cases where the inference stage data do not match assumptions in the modelled shifts. In this work, by employing a conditional hyperparameter network, we eliminate the need of augmentation, yet maintain robust performance under various levels of Gaussian noise. We demonstrate that our model withstands various input noise levels while producing high-definition reconstructions during the test stage. Moreover, we present a hyperparameter sampling strategy that accelerates the convergence of training. Our proposed method achieves the highest accuracy and image quality in all settings compared to baseline methods.

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.

Convolutional Neural Networks (CNN) have been successful in processing data signals that are uniformly sampled in the spatial domain (e.g., images). However, most data signals do not natively exist on a grid, and in the process of being sampled onto a uniform physical grid suffer significant aliasing error and information loss. Moreover, signals can exist in different topological structures as, for example, points, lines, surfaces and volumes. It has been challenging to analyze signals with mixed topologies (for example, point cloud with surface mesh). To this end, we develop mathematical formulations for Non-Uniform Fourier Transforms (NUFT) to directly, and optimally, sample nonuniform data signals of different topologies defined on a simplex mesh into the spectral domain with no spatial sampling error. The spectral transform is performed in the Euclidean space, which removes the translation ambiguity from works on the graph spectrum. Our representation has four distinct advantages: (1) the process causes no spatial sampling error during the initial sampling, (2) the generality of this approach provides a unified framework for using CNNs to analyze signals of mixed topologies, (3) it allows us to leverage state-of-the-art backbone CNN architectures for effective learning without having to design a particular architecture for a particular data structure in an ad-hoc fashion, and (4) the representation allows weighted meshes where each element has a different weight (i.e., texture) indicating local properties. We achieve results on par with the state-of-the-art for the 3D shape retrieval task, and a new state-of-the-art for the point cloud to surface reconstruction task.

Recent 3D content generation pipelines commonly employ Variational Autoencoders (VAEs) to encode shapes into compact latent representations for diffusion-based generation. However, the widely adopted uniform point sampling strategy in Shape VAE training often leads to a significant loss of geometric details, limiting the quality of shape reconstruction and downstream generation tasks. We present Dora-VAE, a novel approach that enhances VAE reconstruction through our proposed sharp edge sampling strategy and a dual cross-attention mechanism. By identifying and prioritizing regions with high geometric complexity during training, our method significantly improves the preservation of fine-grained shape features. Such sampling strategy and the dual attention mechanism enable the VAE to focus on crucial geometric details that are typically missed by uniform sampling approaches. To systematically evaluate VAE reconstruction quality, we additionally propose Dora-bench, a benchmark that quantifies shape complexity through the density of sharp edges, introducing a new metric focused on reconstruction accuracy at these salient geometric features. Extensive experiments on the Dora-bench demonstrate that Dora-VAE achieves comparable reconstruction quality to the state-of-the-art dense XCube-VAE while requiring a latent space at least 8times smaller (1,280 vs. > 10,000 codes).

This paper tackles the task of learning to generate signals over triangle meshes in a triangulation-agnostic manner, meaning the trained model can be applied to different meshes and triangulations effectively. Practically, the paper adapts the flow matching (FM) paradigm to a mesh-based, triangulation-agnostic setting. Theoretically, it proposes a specific noise distribution which is triangulation agnostic, to be used inside the FM model's denoising process. While noise distributions are usually trivial to devise for, e.g., images, devising a triangulation-agnostic distribution proves to be a much more difficult task. We formulate a mathematical definition of triangulation agnosticism of distributions, via their spectrum. We then show that a discretization of a specific Gaussian random field called a Matérn process holds these desired properties, and provides a simple and efficient sampling algorithm. We use it as our noise model, and adapt FM to the triangulation-agnostic setting by using a state-of-the-art approach for learning signals on meshes in the gradient domain -- PoissonNet -- as the denoiser. We conduct experiments on elaborate tasks such as sampling elastic rest states, and generating poses of humanoids. Our method is shown to be capable of producing highly realistic results for meshes of over one million triangles, significantly exceeding the state-of-the-art in quality and diversity.

Nonlinear manifolds are widespread in deep visual features, where Euclidean distances often fail to capture true similarity. This limitation becomes particularly severe in prototype-based interpretable fine-grained recognition, where subtle semantic distinctions are essential. To address this challenge, we propose a novel paradigm for prototype-based recognition that anchors similarity within the intrinsic geometry of deep features. Specifically, we distill the latent manifold structure of each class into a diffusion space and introduce a differentiable Nystr\"om interpolation, making the geometry accessible to both unseen samples and learnable prototypes. To ensure efficiency, we employ compact per-class landmark sets with periodic updates. This design keeps the embedding aligned with the evolving backbone, enabling fast and scalable inference. Extensive experiments on the CUB-200-2011 and Stanford Cars datasets show that our GeoProto framework produces prototypes focusing on semantically aligned parts, significantly outperforming Euclidean prototype networks.

We study the problem of visualizing large-scale and high-dimensional data in a low-dimensional (typically 2D or 3D) space. Much success has been reported recently by techniques that first compute a similarity structure of the data points and then project them into a low-dimensional space with the structure preserved. These two steps suffer from considerable computational costs, preventing the state-of-the-art methods such as the t-SNE from scaling to large-scale and high-dimensional data (e.g., millions of data points and hundreds of dimensions). We propose the LargeVis, a technique that first constructs an accurately approximated K-nearest neighbor graph from the data and then layouts the graph in the low-dimensional space. Comparing to t-SNE, LargeVis significantly reduces the computational cost of the graph construction step and employs a principled probabilistic model for the visualization step, the objective of which can be effectively optimized through asynchronous stochastic gradient descent with a linear time complexity. The whole procedure thus easily scales to millions of high-dimensional data points. Experimental results on real-world data sets demonstrate that the LargeVis outperforms the state-of-the-art methods in both efficiency and effectiveness. The hyper-parameters of LargeVis are also much more stable over different data sets.

The efficient coding hypothesis proposes that the response properties of sensory systems are adapted to the statistics of their inputs such that they capture maximal information about the environment, subject to biological constraints. While elegant, information theoretic properties are notoriously difficult to measure in practical settings or to employ as objective functions in optimization. This difficulty has necessitated that computational models designed to test the hypothesis employ several different information metrics ranging from approximations and lower bounds to proxy measures like reconstruction error. Recent theoretical advances have characterized a novel and ecologically relevant efficiency metric, the manifold capacity, which is the number of object categories that may be represented in a linearly separable fashion. However, calculating manifold capacity is a computationally intensive iterative procedure that until now has precluded its use as an objective. Here we outline the simplifying assumptions that allow manifold capacity to be optimized directly, yielding Maximum Manifold Capacity Representations (MMCR). The resulting method is closely related to and inspired by advances in the field of self supervised learning (SSL), and we demonstrate that MMCRs are competitive with state of the art results on standard SSL benchmarks. Empirical analyses reveal differences between MMCRs and representations learned by other SSL frameworks, and suggest a mechanism by which manifold compression gives rise to class separability. Finally we evaluate a set of SSL methods on a suite of neural predictivity benchmarks, and find MMCRs are higly competitive as models of the ventral stream.

We introduce Adjoint Sampling, a highly scalable and efficient algorithm for learning diffusion processes that sample from unnormalized densities, or energy functions. It is the first on-policy approach that allows significantly more gradient updates than the number of energy evaluations and model samples, allowing us to scale to much larger problem settings than previously explored by similar methods. Our framework is theoretically grounded in stochastic optimal control and shares the same theoretical guarantees as Adjoint Matching, being able to train without the need for corrective measures that push samples towards the target distribution. We show how to incorporate key symmetries, as well as periodic boundary conditions, for modeling molecules in both cartesian and torsional coordinates. We demonstrate the effectiveness of our approach through extensive experiments on classical energy functions, and further scale up to neural network-based energy models where we perform amortized conformer generation across many molecular systems. To encourage further research in developing highly scalable sampling methods, we plan to open source these challenging benchmarks, where successful methods can directly impact progress in computational chemistry.

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.

Smoothness and low dimensional structures play central roles in improving generalization and stability in learning and statistics. This work combines techniques from semi-infinite constrained learning and manifold regularization to learn representations that are globally smooth on a manifold. To do so, it shows that under typical conditions the problem of learning a Lipschitz continuous function on a manifold is equivalent to a dynamically weighted manifold regularization problem. This observation leads to a practical algorithm based on a weighted Laplacian penalty whose weights are adapted using stochastic gradient techniques. It is shown that under mild conditions, this method estimates the Lipschitz constant of the solution, learning a globally smooth solution as a byproduct. Experiments on real world data illustrate the advantages of the proposed method relative to existing alternatives.