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SubscribeU-RED: Unsupervised 3D Shape Retrieval and Deformation for Partial Point Clouds
In this paper, we propose U-RED, an Unsupervised shape REtrieval and Deformation pipeline that takes an arbitrary object observation as input, typically captured by RGB images or scans, and jointly retrieves and deforms the geometrically similar CAD models from a pre-established database to tightly match the target. Considering existing methods typically fail to handle noisy partial observations, U-RED is designed to address this issue from two aspects. First, since one partial shape may correspond to multiple potential full shapes, the retrieval method must allow such an ambiguous one-to-many relationship. Thereby U-RED learns to project all possible full shapes of a partial target onto the surface of a unit sphere. Then during inference, each sampling on the sphere will yield a feasible retrieval. Second, since real-world partial observations usually contain noticeable noise, a reliable learned metric that measures the similarity between shapes is necessary for stable retrieval. In U-RED, we design a novel point-wise residual-guided metric that allows noise-robust comparison. Extensive experiments on the synthetic datasets PartNet, ComplementMe and the real-world dataset Scan2CAD demonstrate that U-RED surpasses existing state-of-the-art approaches by 47.3%, 16.7% and 31.6% respectively under Chamfer Distance.
Exploring Geometric Representational Alignment through Ollivier-Ricci Curvature and Ricci Flow
Representational analysis explores how input data of a neural system are encoded in high dimensional spaces of its distributed neural activations, and how we can compare different systems, for instance, artificial neural networks and brains, on those grounds. While existing methods offer important insights, they typically do not account for local intrinsic geometrical properties within the high-dimensional representation spaces. To go beyond these limitations, we explore Ollivier-Ricci curvature and Ricci flow as tools to study the alignment of representations between humans and artificial neural systems on a geometric level. As a proof-of-principle study, we compared the representations of face stimuli between VGG-Face, a human-aligned version of VGG-Face, and corresponding human similarity judgments from a large online study. Using this discrete geometric framework, we were able to identify local structural similarities and differences by examining the distributions of node and edge curvature and higher-level properties by detecting and comparing community structure in the representational graphs.
Geometry Distributions
Neural representations of 3D data have been widely adopted across various applications, particularly in recent work leveraging coordinate-based networks to model scalar or vector fields. However, these approaches face inherent challenges, such as handling thin structures and non-watertight geometries, which limit their flexibility and accuracy. In contrast, we propose a novel geometric data representation that models geometry as distributions-a powerful representation that makes no assumptions about surface genus, connectivity, or boundary conditions. Our approach uses diffusion models with a novel network architecture to learn surface point distributions, capturing fine-grained geometric details. We evaluate our representation qualitatively and quantitatively across various object types, demonstrating its effectiveness in achieving high geometric fidelity. Additionally, we explore applications using our representation, such as textured mesh representation, neural surface compression, dynamic object modeling, and rendering, highlighting its potential to advance 3D geometric learning.
Is Cosine-Similarity of Embeddings Really About Similarity?
Cosine-similarity is the cosine of the angle between two vectors, or equivalently the dot product between their normalizations. A popular application is to quantify semantic similarity between high-dimensional objects by applying cosine-similarity to a learned low-dimensional feature embedding. This can work better but sometimes also worse than the unnormalized dot-product between embedded vectors in practice. To gain insight into this empirical observation, we study embeddings derived from regularized linear models, where closed-form solutions facilitate analytical insights. We derive analytically how cosine-similarity can yield arbitrary and therefore meaningless `similarities.' For some linear models the similarities are not even unique, while for others they are implicitly controlled by the regularization. We discuss implications beyond linear models: a combination of different regularizations are employed when learning deep models; these have implicit and unintended effects when taking cosine-similarities of the resulting embeddings, rendering results opaque and possibly arbitrary. Based on these insights, we caution against blindly using cosine-similarity and outline alternatives.
On the Expressive Power of Geometric Graph Neural Networks
The expressive power of Graph Neural Networks (GNNs) has been studied extensively through the Weisfeiler-Leman (WL) graph isomorphism test. However, standard GNNs and the WL framework are inapplicable for geometric graphs embedded in Euclidean space, such as biomolecules, materials, and other physical systems. In this work, we propose a geometric version of the WL test (GWL) for discriminating geometric graphs while respecting the underlying physical symmetries: permutations, rotation, reflection, and translation. We use GWL to characterise the expressive power of geometric GNNs that are invariant or equivariant to physical symmetries in terms of distinguishing geometric graphs. GWL unpacks how key design choices influence geometric GNN expressivity: (1) Invariant layers have limited expressivity as they cannot distinguish one-hop identical geometric graphs; (2) Equivariant layers distinguish a larger class of graphs by propagating geometric information beyond local neighbourhoods; (3) Higher order tensors and scalarisation enable maximally powerful geometric GNNs; and (4) GWL's discrimination-based perspective is equivalent to universal approximation. Synthetic experiments supplementing our results are available at https://github.com/chaitjo/geometric-gnn-dojo
Representational dissimilarity metric spaces for stochastic neural networks
Quantifying similarity between neural representations -- e.g. hidden layer activation vectors -- is a perennial problem in deep learning and neuroscience research. Existing methods compare deterministic responses (e.g. artificial networks that lack stochastic layers) or averaged responses (e.g., trial-averaged firing rates in biological data). However, these measures of _deterministic_ representational similarity ignore the scale and geometric structure of noise, both of which play important roles in neural computation. To rectify this, we generalize previously proposed shape metrics (Williams et al. 2021) to quantify differences in _stochastic_ representations. These new distances satisfy the triangle inequality, and thus can be used as a rigorous basis for many supervised and unsupervised analyses. Leveraging this novel framework, we find that the stochastic geometries of neurobiological representations of oriented visual gratings and naturalistic scenes respectively resemble untrained and trained deep network representations. Further, we are able to more accurately predict certain network attributes (e.g. training hyperparameters) from its position in stochastic (versus deterministic) shape space.
Fast, Expressive SE(n) Equivariant Networks through Weight-Sharing in Position-Orientation Space
Based on the theory of homogeneous spaces we derive geometrically optimal edge attributes to be used within the flexible message-passing framework. We formalize the notion of weight sharing in convolutional networks as the sharing of message functions over point-pairs that should be treated equally. We define equivalence classes of point-pairs that are identical up to a transformation in the group and derive attributes that uniquely identify these classes. Weight sharing is then obtained by conditioning message functions on these attributes. As an application of the theory, we develop an efficient equivariant group convolutional network for processing 3D point clouds. The theory of homogeneous spaces tells us how to do group convolutions with feature maps over the homogeneous space of positions R^3, position and orientations R^3 {times} S^2, and the group SE(3) itself. Among these, R^3 {times} S^2 is an optimal choice due to the ability to represent directional information, which R^3 methods cannot, and it significantly enhances computational efficiency compared to indexing features on the full SE(3) group. We support this claim with state-of-the-art results -- in accuracy and speed -- on five different benchmarks in 2D and 3D, including interatomic potential energy prediction, trajectory forecasting in N-body systems, and generating molecules via equivariant diffusion models.
Estimating Shape Distances on Neural Representations with Limited Samples
Measuring geometric similarity between high-dimensional network representations is a topic of longstanding interest to neuroscience and deep learning. Although many methods have been proposed, only a few works have rigorously analyzed their statistical efficiency or quantified estimator uncertainty in data-limited regimes. Here, we derive upper and lower bounds on the worst-case convergence of standard estimators of shape distancex2014a measure of representational dissimilarity proposed by Williams et al. (2021).These bounds reveal the challenging nature of the problem in high-dimensional feature spaces. To overcome these challenges, we introduce a new method-of-moments estimator with a tunable bias-variance tradeoff. We show that this estimator achieves substantially lower bias than standard estimators in simulation and on neural data, particularly in high-dimensional settings. Thus, we lay the foundation for a rigorous statistical theory for high-dimensional shape analysis, and we contribute a new estimation method that is well-suited to practical scientific settings.
Leveraging SE(3) Equivariance for Learning 3D Geometric Shape Assembly
Shape assembly aims to reassemble parts (or fragments) into a complete object, which is a common task in our daily life. Different from the semantic part assembly (e.g., assembling a chair's semantic parts like legs into a whole chair), geometric part assembly (e.g., assembling bowl fragments into a complete bowl) is an emerging task in computer vision and robotics. Instead of semantic information, this task focuses on geometric information of parts. As the both geometric and pose space of fractured parts are exceptionally large, shape pose disentanglement of part representations is beneficial to geometric shape assembly. In our paper, we propose to leverage SE(3) equivariance for such shape pose disentanglement. Moreover, while previous works in vision and robotics only consider SE(3) equivariance for the representations of single objects, we move a step forward and propose leveraging SE(3) equivariance for representations considering multi-part correlations, which further boosts the performance of the multi-part assembly. Experiments demonstrate the significance of SE(3) equivariance and our proposed method for geometric shape assembly. Project page: https://crtie.github.io/SE-3-part-assembly/
Beyond Euclid: An Illustrated Guide to Modern Machine Learning with Geometric, Topological, and Algebraic Structures
The enduring legacy of Euclidean geometry underpins classical machine learning, which, for decades, has been primarily developed for data lying in Euclidean space. Yet, modern machine learning increasingly encounters richly structured data that is inherently nonEuclidean. This data can exhibit intricate geometric, topological and algebraic structure: from the geometry of the curvature of space-time, to topologically complex interactions between neurons in the brain, to the algebraic transformations describing symmetries of physical systems. Extracting knowledge from such non-Euclidean data necessitates a broader mathematical perspective. Echoing the 19th-century revolutions that gave rise to non-Euclidean geometry, an emerging line of research is redefining modern machine learning with non-Euclidean structures. Its goal: generalizing classical methods to unconventional data types with geometry, topology, and algebra. In this review, we provide an accessible gateway to this fast-growing field and propose a graphical taxonomy that integrates recent advances into an intuitive unified framework. We subsequently extract insights into current challenges and highlight exciting opportunities for future development in this field.
Geometric Algebra Transformers
Problems involving geometric data arise in a variety of fields, including computer vision, robotics, chemistry, and physics. Such data can take numerous forms, such as points, direction vectors, planes, or transformations, but to date there is no single architecture that can be applied to such a wide variety of geometric types while respecting their symmetries. In this paper we introduce the Geometric Algebra Transformer (GATr), a general-purpose architecture for geometric data. GATr represents inputs, outputs, and hidden states in the projective geometric algebra, which offers an efficient 16-dimensional vector space representation of common geometric objects as well as operators acting on them. GATr is equivariant with respect to E(3), the symmetry group of 3D Euclidean space. As a transformer, GATr is scalable, expressive, and versatile. In experiments with n-body modeling and robotic planning, GATr shows strong improvements over non-geometric baselines.
Revisiting Transformation Invariant Geometric Deep Learning: Are Initial Representations All You Need?
Geometric deep learning, i.e., designing neural networks to handle the ubiquitous geometric data such as point clouds and graphs, have achieved great successes in the last decade. One critical inductive bias is that the model can maintain invariance towards various transformations such as translation, rotation, and scaling. The existing graph neural network (GNN) approaches can only maintain permutation-invariance, failing to guarantee invariance with respect to other transformations. Besides GNNs, other works design sophisticated transformation-invariant layers, which are computationally expensive and difficult to be extended. To solve this problem, we revisit why the existing neural networks cannot maintain transformation invariance when handling geometric data. Our findings show that transformation-invariant and distance-preserving initial representations are sufficient to achieve transformation invariance rather than needing sophisticated neural layer designs. Motivated by these findings, we propose Transformation Invariant Neural Networks (TinvNN), a straightforward and general framework for geometric data. Specifically, we realize transformation-invariant and distance-preserving initial point representations by modifying multi-dimensional scaling before feeding the representations into neural networks. We prove that TinvNN can strictly guarantee transformation invariance, being general and flexible enough to be combined with the existing neural networks. Extensive experimental results on point cloud analysis and combinatorial optimization demonstrate the effectiveness and general applicability of our proposed method. Based on the experimental results, we advocate that TinvNN should be considered a new starting point and an essential baseline for further studies of transformation-invariant geometric deep learning.
Geometric Algebra Attention Networks for Small Point Clouds
Much of the success of deep learning is drawn from building architectures that properly respect underlying symmetry and structure in the data on which they operate - a set of considerations that have been united under the banner of geometric deep learning. Often problems in the physical sciences deal with relatively small sets of points in two- or three-dimensional space wherein translation, rotation, and permutation equivariance are important or even vital for models to be useful in practice. In this work, we present rotation- and permutation-equivariant architectures for deep learning on these small point clouds, composed of a set of products of terms from the geometric algebra and reductions over those products using an attention mechanism. The geometric algebra provides valuable mathematical structure by which to combine vector, scalar, and other types of geometric inputs in a systematic way to account for rotation invariance or covariance, while attention yields a powerful way to impose permutation equivariance. We demonstrate the usefulness of these architectures by training models to solve sample problems relevant to physics, chemistry, and biology.
Object-level Geometric Structure Preserving for Natural Image Stitching
The topic of stitching images with globally natural structures holds paramount significance. Current methodologies exhibit the ability to preserve local geometric structures, yet fall short in maintaining relationships between these geometric structures. In this paper, we endeavor to safeguard the overall, OBJect-level structures within images based on Global Similarity Prior, while concurrently mitigating distortion and ghosting artifacts with OBJ-GSP. Our approach leverages the Segment Anything Model to extract geometric structures with semantic information, enhancing the algorithm's ability to preserve objects in a manner that aligns more intuitively with human perception. We seek to identify spatial constraints that govern the relationships between various geometric boundaries. Recognizing that multiple geometric boundaries collectively define complete objects, we employ triangular meshes to safeguard not only individual geometric structures but also the overall shapes of objects within the images. Empirical evaluations across multiple image stitching datasets demonstrate that our method establishes a new state-of-the-art benchmark in image stitching. Our implementation and dataset is publicly available at https://github.com/RussRobin/OBJ-GSP .
From Bricks to Bridges: Product of Invariances to Enhance Latent Space Communication
It has been observed that representations learned by distinct neural networks conceal structural similarities when the models are trained under similar inductive biases. From a geometric perspective, identifying the classes of transformations and the related invariances that connect these representations is fundamental to unlocking applications, such as merging, stitching, and reusing different neural modules. However, estimating task-specific transformations a priori can be challenging and expensive due to several factors (e.g., weights initialization, training hyperparameters, or data modality). To this end, we introduce a versatile method to directly incorporate a set of invariances into the representations, constructing a product space of invariant components on top of the latent representations without requiring prior knowledge about the optimal invariance to infuse. We validate our solution on classification and reconstruction tasks, observing consistent latent similarity and downstream performance improvements in a zero-shot stitching setting. The experimental analysis comprises three modalities (vision, text, and graphs), twelve pretrained foundational models, nine benchmarks, and several architectures trained from scratch.
Lie Group Decompositions for Equivariant Neural Networks
Invariance and equivariance to geometrical transformations have proven to be very useful inductive biases when training (convolutional) neural network models, especially in the low-data regime. Much work has focused on the case where the symmetry group employed is compact or abelian, or both. Recent work has explored enlarging the class of transformations used to the case of Lie groups, principally through the use of their Lie algebra, as well as the group exponential and logarithm maps. The applicability of such methods to larger transformation groups is limited by the fact that depending on the group of interest G, the exponential map may not be surjective. Further limitations are encountered when G is neither compact nor abelian. Using the structure and geometry of Lie groups and their homogeneous spaces, we present a framework by which it is possible to work with such groups primarily focusing on the Lie groups G = GL^{+}(n, R) and G = SL(n, R), as well as their representation as affine transformations R^{n} rtimes G. Invariant integration as well as a global parametrization is realized by decomposing the `larger` groups into subgroups and submanifolds which can be handled individually. Under this framework, we show how convolution kernels can be parametrized to build models equivariant with respect to affine transformations. We evaluate the robustness and out-of-distribution generalisation capability of our model on the standard affine-invariant benchmark classification task, where we outperform all previous equivariant models as well as all Capsule Network proposals.
Zero-Shot 3D Shape Correspondence
We propose a novel zero-shot approach to computing correspondences between 3D shapes. Existing approaches mainly focus on isometric and near-isometric shape pairs (e.g., human vs. human), but less attention has been given to strongly non-isometric and inter-class shape matching (e.g., human vs. cow). To this end, we introduce a fully automatic method that exploits the exceptional reasoning capabilities of recent foundation models in language and vision to tackle difficult shape correspondence problems. Our approach comprises multiple stages. First, we classify the 3D shapes in a zero-shot manner by feeding rendered shape views to a language-vision model (e.g., BLIP2) to generate a list of class proposals per shape. These proposals are unified into a single class per shape by employing the reasoning capabilities of ChatGPT. Second, we attempt to segment the two shapes in a zero-shot manner, but in contrast to the co-segmentation problem, we do not require a mutual set of semantic regions. Instead, we propose to exploit the in-context learning capabilities of ChatGPT to generate two different sets of semantic regions for each shape and a semantic mapping between them. This enables our approach to match strongly non-isometric shapes with significant differences in geometric structure. Finally, we employ the generated semantic mapping to produce coarse correspondences that can further be refined by the functional maps framework to produce dense point-to-point maps. Our approach, despite its simplicity, produces highly plausible results in a zero-shot manner, especially between strongly non-isometric shapes.
BIKED++: A Multimodal Dataset of 1.4 Million Bicycle Image and Parametric CAD Designs
This paper introduces a public dataset of 1.4 million procedurally-generated bicycle designs represented parametrically, as JSON files, and as rasterized images. The dataset is created through the use of a rendering engine which harnesses the BikeCAD software to generate vector graphics from parametric designs. This rendering engine is discussed in the paper and also released publicly alongside the dataset. Though this dataset has numerous applications, a principal motivation is the need to train cross-modal predictive models between parametric and image-based design representations. For example, we demonstrate that a predictive model can be trained to accurately estimate Contrastive Language-Image Pretraining (CLIP) embeddings from a parametric representation directly. This allows similarity relations to be established between parametric bicycle designs and text strings or reference images. Trained predictive models are also made public. The dataset joins the BIKED dataset family which includes thousands of mixed-representation human-designed bicycle models and several datasets quantifying design performance. The code and dataset can be found at: https://github.com/Lyleregenwetter/BIKED_multimodal/tree/main
A picture of the space of typical learnable tasks
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.
Homeomorphism Prior for False Positive and Negative Problem in Medical Image Dense Contrastive Representation Learning
Dense contrastive representation learning (DCRL) has greatly improved the learning efficiency for image-dense prediction tasks, showing its great potential to reduce the large costs of medical image collection and dense annotation. However, the properties of medical images make unreliable correspondence discovery, bringing an open problem of large-scale false positive and negative (FP&N) pairs in DCRL. In this paper, we propose GEoMetric vIsual deNse sImilarity (GEMINI) learning which embeds the homeomorphism prior to DCRL and enables a reliable correspondence discovery for effective dense contrast. We propose a deformable homeomorphism learning (DHL) which models the homeomorphism of medical images and learns to estimate a deformable mapping to predict the pixels' correspondence under topological preservation. It effectively reduces the searching space of pairing and drives an implicit and soft learning of negative pairs via a gradient. We also propose a geometric semantic similarity (GSS) which extracts semantic information in features to measure the alignment degree for the correspondence learning. It will promote the learning efficiency and performance of deformation, constructing positive pairs reliably. We implement two practical variants on two typical representation learning tasks in our experiments. Our promising results on seven datasets which outperform the existing methods show our great superiority. We will release our code on a companion link: https://github.com/YutingHe-list/GEMINI.
EqMotion: Equivariant Multi-agent Motion Prediction with Invariant Interaction Reasoning
Learning to predict agent motions with relationship reasoning is important for many applications. In motion prediction tasks, maintaining motion equivariance under Euclidean geometric transformations and invariance of agent interaction is a critical and fundamental principle. However, such equivariance and invariance properties are overlooked by most existing methods. To fill this gap, we propose EqMotion, an efficient equivariant motion prediction model with invariant interaction reasoning. To achieve motion equivariance, we propose an equivariant geometric feature learning module to learn a Euclidean transformable feature through dedicated designs of equivariant operations. To reason agent's interactions, we propose an invariant interaction reasoning module to achieve a more stable interaction modeling. To further promote more comprehensive motion features, we propose an invariant pattern feature learning module to learn an invariant pattern feature, which cooperates with the equivariant geometric feature to enhance network expressiveness. We conduct experiments for the proposed model on four distinct scenarios: particle dynamics, molecule dynamics, human skeleton motion prediction and pedestrian trajectory prediction. Experimental results show that our method is not only generally applicable, but also achieves state-of-the-art prediction performances on all the four tasks, improving by 24.0/30.1/8.6/9.2%. Code is available at https://github.com/MediaBrain-SJTU/EqMotion.
Deformable Style Transfer
Both geometry and texture are fundamental aspects of visual style. Existing style transfer methods, however, primarily focus on texture, almost entirely ignoring geometry. We propose deformable style transfer (DST), an optimization-based approach that jointly stylizes the texture and geometry of a content image to better match a style image. Unlike previous geometry-aware stylization methods, our approach is neither restricted to a particular domain (such as human faces), nor does it require training sets of matching style/content pairs. We demonstrate our method on a diverse set of content and style images including portraits, animals, objects, scenes, and paintings. Code has been made publicly available at https://github.com/sunniesuhyoung/DST.
Visualizing Riemannian data with Rie-SNE
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.
Approximating the Convex Hull via Metric Space Magnitude
Magnitude of a finite metric space and the related notion of magnitude functions on metric spaces is an active area of research in algebraic topology. Magnitude originally arose in the context of biology, where it represents the number of effective species in an environment; when applied to a one-parameter family of metric spaces tX with scale parameter t, the magnitude captures much of the underlying geometry of the space. Prior work has mostly focussed on properties of magnitude in a global sense; in this paper we restrict the sets to finite subsets of Euclidean space and investigate its individual components. We give an explicit formula for the corrected inclusion-exclusion principle, and define a quantity associated with each point, called the moment which gives an intrinsic ordering to the points. We exploit this in order to form an algorithm which approximates the convex hull.
Principal subbundles for dimension reduction
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.
Geometry of Sample Spaces
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.
Geometric Trajectory Diffusion Models
Generative models have shown great promise in generating 3D geometric systems, which is a fundamental problem in many natural science domains such as molecule and protein design. However, existing approaches only operate on static structures, neglecting the fact that physical systems are always dynamic in nature. In this work, we propose geometric trajectory diffusion models (GeoTDM), the first diffusion model for modeling the temporal distribution of 3D geometric trajectories. Modeling such distribution is challenging as it requires capturing both the complex spatial interactions with physical symmetries and temporal correspondence encapsulated in the dynamics. We theoretically justify that diffusion models with equivariant temporal kernels can lead to density with desired symmetry, and develop a novel transition kernel leveraging SE(3)-equivariant spatial convolution and temporal attention. Furthermore, to induce an expressive trajectory distribution for conditional generation, we introduce a generalized learnable geometric prior into the forward diffusion process to enhance temporal conditioning. We conduct extensive experiments on both unconditional and conditional generation in various scenarios, including physical simulation, molecular dynamics, and pedestrian motion. Empirical results on a wide suite of metrics demonstrate that GeoTDM can generate realistic geometric trajectories with significantly higher quality.
PoNQ: a Neural QEM-based Mesh Representation
Although polygon meshes have been a standard representation in geometry processing, their irregular and combinatorial nature hinders their suitability for learning-based applications. In this work, we introduce a novel learnable mesh representation through a set of local 3D sample Points and their associated Normals and Quadric error metrics (QEM) w.r.t. the underlying shape, which we denote PoNQ. A global mesh is directly derived from PoNQ by efficiently leveraging the knowledge of the local quadric errors. Besides marking the first use of QEM within a neural shape representation, our contribution guarantees both topological and geometrical properties by ensuring that a PoNQ mesh does not self-intersect and is always the boundary of a volume. Notably, our representation does not rely on a regular grid, is supervised directly by the target surface alone, and also handles open surfaces with boundaries and/or sharp features. We demonstrate the efficacy of PoNQ through a learning-based mesh prediction from SDF grids and show that our method surpasses recent state-of-the-art techniques in terms of both surface and edge-based metrics.
Complete and Efficient Graph Transformers for Crystal Material Property Prediction
Crystal structures are characterized by atomic bases within a primitive unit cell that repeats along a regular lattice throughout 3D space. The periodic and infinite nature of crystals poses unique challenges for geometric graph representation learning. Specifically, constructing graphs that effectively capture the complete geometric information of crystals and handle chiral crystals remains an unsolved and challenging problem. In this paper, we introduce a novel approach that utilizes the periodic patterns of unit cells to establish the lattice-based representation for each atom, enabling efficient and expressive graph representations of crystals. Furthermore, we propose ComFormer, a SE(3) transformer designed specifically for crystalline materials. ComFormer includes two variants; namely, iComFormer that employs invariant geometric descriptors of Euclidean distances and angles, and eComFormer that utilizes equivariant vector representations. Experimental results demonstrate the state-of-the-art predictive accuracy of ComFormer variants on various tasks across three widely-used crystal benchmarks. Our code is publicly available as part of the AIRS library (https://github.com/divelab/AIRS).
"Understanding Robustness Lottery": A Geometric Visual Comparative Analysis of Neural Network Pruning Approaches
Deep learning approaches have provided state-of-the-art performance in many applications by relying on large and overparameterized neural networks. However, such networks have been shown to be very brittle and are difficult to deploy on resource-limited platforms. Model pruning, i.e., reducing the size of the network, is a widely adopted strategy that can lead to a more robust and compact model. Many heuristics exist for model pruning, but empirical studies show that some heuristics improve performance whereas others can make models more brittle or have other side effects. This work aims to shed light on how different pruning methods alter the network's internal feature representation and the corresponding impact on model performance. To facilitate a comprehensive comparison and characterization of the high-dimensional model feature space, we introduce a visual geometric analysis of feature representations. We decomposed and evaluated a set of critical geometric concepts from the common adopted classification loss, and used them to design a visualization system to compare and highlight the impact of pruning on model performance and feature representation. The proposed tool provides an environment for in-depth comparison of pruning methods and a comprehensive understanding of how model response to common data corruption. By leveraging the proposed visualization, machine learning researchers can reveal the similarities between pruning methods and redundant in robustness evaluation benchmarks, obtain geometric insights about the differences between pruned models that achieve superior robustness performance, and identify samples that are robust or fragile to model pruning and common data corruption to model pruning and data corruption but also obtain insights and explanations on how some pruned models achieve superior robustness performance.
Self-Similarity Priors: Neural Collages as Differentiable Fractal Representations
Many patterns in nature exhibit self-similarity: they can be compactly described via self-referential transformations. Said patterns commonly appear in natural and artificial objects, such as molecules, shorelines, galaxies and even images. In this work, we investigate the role of learning in the automated discovery of self-similarity and in its utilization for downstream tasks. To this end, we design a novel class of implicit operators, Neural Collages, which (1) represent data as the parameters of a self-referential, structured transformation, and (2) employ hypernetworks to amortize the cost of finding these parameters to a single forward pass. We investigate how to leverage the representations produced by Neural Collages in various tasks, including data compression and generation. Neural Collages image compressors are orders of magnitude faster than other self-similarity-based algorithms during encoding and offer compression rates competitive with implicit methods. Finally, we showcase applications of Neural Collages for fractal art and as deep generative models.
The Topology and Geometry of Neural Representations
A central question for neuroscience is how to characterize brain representations of perceptual and cognitive content. An ideal characterization should distinguish different functional regions with robustness to noise and idiosyncrasies of individual brains that do not correspond to computational differences. Previous studies have characterized brain representations by their representational geometry, which is defined by the representational dissimilarity matrix (RDM), a summary statistic that abstracts from the roles of individual neurons (or responses channels) and characterizes the discriminability of stimuli. Here we explore a further step of abstraction: from the geometry to the topology of brain representations. We propose topological representational similarity analysis (tRSA), an extension of representational similarity analysis (RSA) that uses a family of geo-topological summary statistics that generalizes the RDM to characterize the topology while de-emphasizing the geometry. We evaluate this new family of statistics in terms of the sensitivity and specificity for model selection using both simulations and functional MRI (fMRI) data. In the simulations, the ground truth is a data-generating layer representation in a neural network model and the models are the same and other layers in different model instances (trained from different random seeds). In fMRI, the ground truth is a visual area and the models are the same and other areas measured in different subjects. Results show that topology-sensitive characterizations of population codes are robust to noise and interindividual variability and maintain excellent sensitivity to the unique representational signatures of different neural network layers and brain regions.
Hybrid Imitative Planning with Geometric and Predictive Costs in Off-road Environments
Geometric methods for solving open-world off-road navigation tasks, by learning occupancy and metric maps, provide good generalization but can be brittle in outdoor environments that violate their assumptions (e.g., tall grass). Learning-based methods can directly learn collision-free behavior from raw observations, but are difficult to integrate with standard geometry-based pipelines. This creates an unfortunate conflict -- either use learning and lose out on well-understood geometric navigational components, or do not use it, in favor of extensively hand-tuned geometry-based cost maps. In this work, we reject this dichotomy by designing the learning and non-learning-based components in a way such that they can be effectively combined in a self-supervised manner. Both components contribute to a planning criterion: the learned component contributes predicted traversability as rewards, while the geometric component contributes obstacle cost information. We instantiate and comparatively evaluate our system in both in-distribution and out-of-distribution environments, showing that this approach inherits complementary gains from the learned and geometric components and significantly outperforms either of them. Videos of our results are hosted at https://sites.google.com/view/hybrid-imitative-planning
Symmetry-Aware Robot Design with Structured Subgroups
Robot design aims at learning to create robots that can be easily controlled and perform tasks efficiently. Previous works on robot design have proven its ability to generate robots for various tasks. However, these works searched the robots directly from the vast design space and ignored common structures, resulting in abnormal robots and poor performance. To tackle this problem, we propose a Symmetry-Aware Robot Design (SARD) framework that exploits the structure of the design space by incorporating symmetry searching into the robot design process. Specifically, we represent symmetries with the subgroups of the dihedral group and search for the optimal symmetry in structured subgroups. Then robots are designed under the searched symmetry. In this way, SARD can design efficient symmetric robots while covering the original design space, which is theoretically analyzed. We further empirically evaluate SARD on various tasks, and the results show its superior efficiency and generalizability.
Poincaré Embeddings for Learning Hierarchical Representations
Representation learning has become an invaluable approach for learning from symbolic data such as text and graphs. However, while complex symbolic datasets often exhibit a latent hierarchical structure, state-of-the-art methods typically learn embeddings in Euclidean vector spaces, which do not account for this property. For this purpose, we introduce a new approach for learning hierarchical representations of symbolic data by embedding them into hyperbolic space -- or more precisely into an n-dimensional Poincar\'e ball. Due to the underlying hyperbolic geometry, this allows us to learn parsimonious representations of symbolic data by simultaneously capturing hierarchy and similarity. We introduce an efficient algorithm to learn the embeddings based on Riemannian optimization and show experimentally that Poincar\'e embeddings outperform Euclidean embeddings significantly on data with latent hierarchies, both in terms of representation capacity and in terms of generalization ability.
Fluctuations of the connectivity threshold and largest nearest-neighbour link
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.
R-CoT: Reverse Chain-of-Thought Problem Generation for Geometric Reasoning in Large Multimodal Models
Existing Large Multimodal Models (LMMs) struggle with mathematical geometric reasoning due to a lack of high-quality image-text paired data. Current geometric data generation approaches, which apply preset templates to generate geometric data or use Large Language Models (LLMs) to rephrase questions and answers (Q&A), unavoidably limit data accuracy and diversity. To synthesize higher-quality data, we propose a two-stage Reverse Chain-of-Thought (R-CoT) geometry problem generation pipeline. First, we introduce GeoChain to produce high-fidelity geometric images and corresponding descriptions highlighting relations among geometric elements. We then design a Reverse A&Q method that reasons step-by-step based on the descriptions and generates questions in reverse from the reasoning results. Experiments demonstrate that the proposed method brings significant and consistent improvements on multiple LMM baselines, achieving new performance records in the 2B, 7B, and 8B settings. Notably, R-CoT-8B significantly outperforms previous state-of-the-art open-source mathematical models by 16.6% on MathVista and 9.2% on GeoQA, while also surpassing the closed-source model GPT-4o by an average of 13% across both datasets. The code is available at https://github.com/dle666/R-CoT.
Flagfolds
By interpreting the product of the Principal Component Analysis, that is the covariance matrix, as a sequence of nested subspaces naturally coming with weights according to the level of approximation they provide, we are able to embed all d--dimensional Grassmannians into a stratified space of covariance matrices. We observe that Grassmannians constitute the lowest dimensional skeleton of the stratification while it is possible to define a Riemaniann metric on the highest dimensional and dense stratum, such a metric being compatible with the global stratification. With such a Riemaniann metric at hand, it is possible to look for geodesics between two linear subspaces of different dimensions that do not go through higher dimensional linear subspaces as would euclidean geodesics. Building upon the proposed embedding of Grassmannians into the stratified space of covariance matrices, we generalize the concept of varifolds to what we call flagfolds in order to model multi-dimensional shapes.
ReMatching: Low-Resolution Representations for Scalable Shape Correspondence
We introduce ReMatching, a novel shape correspondence solution based on the functional maps framework. Our method, by exploiting a new and appropriate re-meshing paradigm, can target shape-matching tasks even on meshes counting millions of vertices, where the original functional maps does not apply or requires a massive computational cost. The core of our procedure is a time-efficient remeshing algorithm which constructs a low-resolution geometry while acting conservatively on the original topology and metric. These properties allow translating the functional maps optimization problem on the resulting low-resolution representation, thus enabling efficient computation of correspondences with functional map approaches. Finally, we propose an efficient technique for extending the estimated correspondence to the original meshes. We show that our method is more efficient and effective through quantitative and qualitative comparisons, outperforming state-of-the-art pipelines in quality and computational cost.
Hyperbolic Diffusion Embedding and Distance for Hierarchical Representation Learning
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.
Telling Left from Right: Identifying Geometry-Aware Semantic Correspondence
While pre-trained large-scale vision models have shown significant promise for semantic correspondence, their features often struggle to grasp the geometry and orientation of instances. This paper identifies the importance of being geometry-aware for semantic correspondence and reveals a limitation of the features of current foundation models under simple post-processing. We show that incorporating this information can markedly enhance semantic correspondence performance with simple but effective solutions in both zero-shot and supervised settings. We also construct a new challenging benchmark for semantic correspondence built from an existing animal pose estimation dataset, for both pre-training validating models. Our method achieves a PCK@0.10 score of 65.4 (zero-shot) and 85.6 (supervised) on the challenging SPair-71k dataset, outperforming the state of the art by 5.5p and 11.0p absolute gains, respectively. Our code and datasets are publicly available at: https://telling-left-from-right.github.io/.
Euclid: Supercharging Multimodal LLMs with Synthetic High-Fidelity Visual Descriptions
Multimodal large language models (MLLMs) have made rapid progress in recent years, yet continue to struggle with low-level visual perception (LLVP) -- particularly the ability to accurately describe the geometric details of an image. This capability is crucial for applications in areas such as robotics, medical image analysis, and manufacturing. In this paper, we first introduce Geoperception, a benchmark designed to evaluate an MLLM's ability to accurately transcribe 2D geometric information from an image. Using this benchmark, we demonstrate the limitations of leading MLLMs, and then conduct a comprehensive empirical study to explore strategies for improving their performance on geometric tasks. Our findings highlight the benefits of certain model architectures, training techniques, and data strategies, including the use of high-fidelity synthetic data and multi-stage training with a data curriculum. Notably, we find that a data curriculum enables models to learn challenging geometry understanding tasks which they fail to learn from scratch. Leveraging these insights, we develop Euclid, a family of models specifically optimized for strong low-level geometric perception. Although purely trained on synthetic multimodal data, Euclid shows strong generalization ability to novel geometry shapes. For instance, Euclid outperforms the best closed-source model, Gemini-1.5-Pro, by up to 58.56% on certain Geoperception benchmark tasks and 10.65% on average across all tasks.
Positive Geometries and Canonical Forms
Recent years have seen a surprising connection between the physics of scattering amplitudes and a class of mathematical objects--the positive Grassmannian, positive loop Grassmannians, tree and loop Amplituhedra--which have been loosely referred to as "positive geometries". The connection between the geometry and physics is provided by a unique differential form canonically determined by the property of having logarithmic singularities (only) on all the boundaries of the space, with residues on each boundary given by the canonical form on that boundary. In this paper we initiate an exploration of "positive geometries" and "canonical forms" as objects of study in their own right in a more general mathematical setting. We give a precise definition of positive geometries and canonical forms, introduce general methods for finding forms for more complicated positive geometries from simpler ones, and present numerous examples of positive geometries in projective spaces, Grassmannians, and toric, cluster and flag varieties. We also illustrate a number of strategies for computing canonical forms which yield interesting representations for the forms associated with wide classes of positive geometries, ranging from the simplest Amplituhedra to new expressions for the volume of arbitrary convex polytopes.
Geometric Clifford Algebra Networks
We propose Geometric Clifford Algebra Networks (GCANs) for modeling dynamical systems. GCANs are based on symmetry group transformations using geometric (Clifford) algebras. We first review the quintessence of modern (plane-based) geometric algebra, which builds on isometries encoded as elements of the Pin(p,q,r) group. We then propose the concept of group action layers, which linearly combine object transformations using pre-specified group actions. Together with a new activation and normalization scheme, these layers serve as adjustable geometric templates that can be refined via gradient descent. Theoretical advantages are strongly reflected in the modeling of three-dimensional rigid body transformations as well as large-scale fluid dynamics simulations, showing significantly improved performance over traditional methods.
Clifford Group Equivariant Simplicial Message Passing Networks
We introduce Clifford Group Equivariant Simplicial Message Passing Networks, a method for steerable E(n)-equivariant message passing on simplicial complexes. Our method integrates the expressivity of Clifford group-equivariant layers with simplicial message passing, which is topologically more intricate than regular graph message passing. Clifford algebras include higher-order objects such as bivectors and trivectors, which express geometric features (e.g., areas, volumes) derived from vectors. Using this knowledge, we represent simplex features through geometric products of their vertices. To achieve efficient simplicial message passing, we share the parameters of the message network across different dimensions. Additionally, we restrict the final message to an aggregation of the incoming messages from different dimensions, leading to what we term shared simplicial message passing. Experimental results show that our method is able to outperform both equivariant and simplicial graph neural networks on a variety of geometric tasks.
GriTS: Grid table similarity metric for table structure recognition
In this paper, we propose a new class of metric for table structure recognition (TSR) evaluation, called grid table similarity (GriTS). Unlike prior metrics, GriTS evaluates the correctness of a predicted table directly in its natural form as a matrix. To create a similarity measure between matrices, we generalize the two-dimensional largest common substructure (2D-LCS) problem, which is NP-hard, to the 2D most similar substructures (2D-MSS) problem and propose a polynomial-time heuristic for solving it. This algorithm produces both an upper and a lower bound on the true similarity between matrices. We show using evaluation on a large real-world dataset that in practice there is almost no difference between these bounds. We compare GriTS to other metrics and empirically validate that matrix similarity exhibits more desirable behavior than alternatives for TSR performance evaluation. Finally, GriTS unifies all three subtasks of cell topology recognition, cell location recognition, and cell content recognition within the same framework, which simplifies the evaluation and enables more meaningful comparisons across different types of TSR approaches. Code will be released at https://github.com/microsoft/table-transformer.
Project and Forget: Solving Large-Scale Metric Constrained Problems
Given a set of dissimilarity measurements amongst data points, determining what metric representation is most "consistent" with the input measurements or the metric that best captures the relevant geometric features of the data is a key step in many machine learning algorithms. Existing methods are restricted to specific kinds of metrics or small problem sizes because of the large number of metric constraints in such problems. In this paper, we provide an active set algorithm, Project and Forget, that uses Bregman projections, to solve metric constrained problems with many (possibly exponentially) inequality constraints. We provide a theoretical analysis of Project and Forget and prove that our algorithm converges to the global optimal solution and that the L_2 distance of the current iterate to the optimal solution decays asymptotically at an exponential rate. We demonstrate that using our method we can solve large problem instances of three types of metric constrained problems: general weight correlation clustering, metric nearness, and metric learning; in each case, out-performing the state of the art methods with respect to CPU times and problem sizes.
Regularizing Towards Soft Equivariance Under Mixed Symmetries
Datasets often have their intrinsic symmetries, and particular deep-learning models called equivariant or invariant models have been developed to exploit these symmetries. However, if some or all of these symmetries are only approximate, which frequently happens in practice, these models may be suboptimal due to the architectural restrictions imposed on them. We tackle this issue of approximate symmetries in a setup where symmetries are mixed, i.e., they are symmetries of not single but multiple different types and the degree of approximation varies across these types. Instead of proposing a new architectural restriction as in most of the previous approaches, we present a regularizer-based method for building a model for a dataset with mixed approximate symmetries. The key component of our method is what we call equivariance regularizer for a given type of symmetries, which measures how much a model is equivariant with respect to the symmetries of the type. Our method is trained with these regularizers, one per each symmetry type, and the strength of the regularizers is automatically tuned during training, leading to the discovery of the approximation levels of some candidate symmetry types without explicit supervision. Using synthetic function approximation and motion forecasting tasks, we demonstrate that our method achieves better accuracy than prior approaches while discovering the approximate symmetry levels correctly.
Thingi10K: A Dataset of 10,000 3D-Printing Models
Empirically validating new 3D-printing related algorithms and implementations requires testing data representative of inputs encountered in the wild. An ideal benchmarking dataset should not only draw from the same distribution of shapes people print in terms of class (e.g., toys, mechanisms, jewelry), representation type (e.g., triangle soup meshes) and complexity (e.g., number of facets), but should also capture problems and artifacts endemic to 3D printing models (e.g., self-intersections, non-manifoldness). We observe that the contextual and geometric characteristics of 3D printing models differ significantly from those used for computer graphics applications, not to mention standard models (e.g., Stanford bunny, Armadillo, Fertility). We present a new dataset of 10,000 models collected from an online 3D printing model-sharing database. Via analysis of both geometric (e.g., triangle aspect ratios, manifoldness) and contextual (e.g., licenses, tags, classes) characteristics, we demonstrate that this dataset represents a more concise summary of real-world models used for 3D printing compared to existing datasets. To facilitate future research endeavors, we also present an online query interface to select subsets of the dataset according to project-specific characteristics. The complete dataset and per-model statistical data are freely available to the public.
Geometric Knowledge-Guided Localized Global Distribution Alignment for Federated Learning
Data heterogeneity in federated learning, characterized by a significant misalignment between local and global distributions, leads to divergent local optimization directions and hinders global model training. Existing studies mainly focus on optimizing local updates or global aggregation, but these indirect approaches demonstrate instability when handling highly heterogeneous data distributions, especially in scenarios where label skew and domain skew coexist. To address this, we propose a geometry-guided data generation method that centers on simulating the global embedding distribution locally. We first introduce the concept of the geometric shape of an embedding distribution and then address the challenge of obtaining global geometric shapes under privacy constraints. Subsequently, we propose GGEUR, which leverages global geometric shapes to guide the generation of new samples, enabling a closer approximation to the ideal global distribution. In single-domain scenarios, we augment samples based on global geometric shapes to enhance model generalization; in multi-domain scenarios, we further employ class prototypes to simulate the global distribution across domains. Extensive experimental results demonstrate that our method significantly enhances the performance of existing approaches in handling highly heterogeneous data, including scenarios with label skew, domain skew, and their coexistence. Code published at: https://github.com/WeiDai-David/2025CVPR_GGEUR
Structuring Representation Geometry with Rotationally Equivariant Contrastive Learning
Self-supervised learning converts raw perceptual data such as images to a compact space where simple Euclidean distances measure meaningful variations in data. In this paper, we extend this formulation by adding additional geometric structure to the embedding space by enforcing transformations of input space to correspond to simple (i.e., linear) transformations of embedding space. Specifically, in the contrastive learning setting, we introduce an equivariance objective and theoretically prove that its minima forces augmentations on input space to correspond to rotations on the spherical embedding space. We show that merely combining our equivariant loss with a non-collapse term results in non-trivial representations, without requiring invariance to data augmentations. Optimal performance is achieved by also encouraging approximate invariance, where input augmentations correspond to small rotations. Our method, CARE: Contrastive Augmentation-induced Rotational Equivariance, leads to improved performance on downstream tasks, and ensures sensitivity in embedding space to important variations in data (e.g., color) that standard contrastive methods do not achieve. Code is available at https://github.com/Sharut/CARE.
Deep Geometric Moments Promote Shape Consistency in Text-to-3D Generation
To address the data scarcity associated with 3D assets, 2D-lifting techniques such as Score Distillation Sampling (SDS) have become a widely adopted practice in text-to-3D generation pipelines. However, the diffusion models used in these techniques are prone to viewpoint bias and thus lead to geometric inconsistencies such as the Janus problem. To counter this, we introduce MT3D, a text-to-3D generative model that leverages a high-fidelity 3D object to overcome viewpoint bias and explicitly infuse geometric understanding into the generation pipeline. Firstly, we employ depth maps derived from a high-quality 3D model as control signals to guarantee that the generated 2D images preserve the fundamental shape and structure, thereby reducing the inherent viewpoint bias. Next, we utilize deep geometric moments to ensure geometric consistency in the 3D representation explicitly. By incorporating geometric details from a 3D asset, MT3D enables the creation of diverse and geometrically consistent objects, thereby improving the quality and usability of our 3D representations.
Flow Matching on General Geometries
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.
A Phenomenological Approach to Interactive Knot Diagrams
Knot diagrams are among the most common visual tools in topology. Computer programs now make it possible to draw, manipulate and render them digitally, which proves to be useful in knot theory teaching and research. Still, an openly available tool to manipulate knot diagrams in a real-time, interactive way is yet to be developed. We introduce a method of operating on the geometry of the knot diagram itself without any underlying three-dimensional structure that can underpin such an application. This allows us to directly interact with vector graphics knot diagrams while at the same time computing knot invariants in ways proposed by previous work. An implementation of this method is provided.
Physically Compatible 3D Object Modeling from a Single Image
We present a computational framework that transforms single images into 3D physical objects. The visual geometry of a physical object in an image is determined by three orthogonal attributes: mechanical properties, external forces, and rest-shape geometry. Existing single-view 3D reconstruction methods often overlook this underlying composition, presuming rigidity or neglecting external forces. Consequently, the reconstructed objects fail to withstand real-world physical forces, resulting in instability or undesirable deformation -- diverging from their intended designs as depicted in the image. Our optimization framework addresses this by embedding physical compatibility into the reconstruction process. We explicitly decompose the three physical attributes and link them through static equilibrium, which serves as a hard constraint, ensuring that the optimized physical shapes exhibit desired physical behaviors. Evaluations on a dataset collected from Objaverse demonstrate that our framework consistently enhances the physical realism of 3D models over existing methods. The utility of our framework extends to practical applications in dynamic simulations and 3D printing, where adherence to physical compatibility is paramount.
Further Generalizations of the Jaccard Index
Quantifying the similarity between two mathematical structures or datasets constitutes a particularly interesting and useful operation in several theoretical and applied problems. Aimed at this specific objective, the Jaccard index has been extensively used in the most diverse types of problems, also motivating some respective generalizations. The present work addresses further generalizations of this index, including its modification into a coincidence index capable of accounting also for the level of relative interiority between the two compared entities, as well as respective extensions for sets in continuous vector spaces, the generalization to multiset addition, densities and generic scalar fields, as well as a means to quantify the joint interdependence between two random variables. The also interesting possibility to take into account more than two sets has also been addressed, including the description of an index capable of quantifying the level of chaining between three structures. Several of the described and suggested eneralizations have been illustrated with respect to numeric case examples. It is also posited that these indices can play an important role while analyzing and integrating datasets in modeling approaches and pattern recognition activities, including as a measurement of clusters similarity or separation and as a resource for representing and analyzing complex networks.
ICLR 2021 Challenge for Computational Geometry & Topology: Design and Results
This paper presents the computational challenge on differential geometry and topology that happened within the ICLR 2021 workshop "Geometric and Topological Representation Learning". The competition asked participants to provide creative contributions to the fields of computational geometry and topology through the open-source repositories Geomstats and Giotto-TDA. The challenge attracted 16 teams in its two month duration. This paper describes the design of the challenge and summarizes its main findings.
Wu's Method can Boost Symbolic AI to Rival Silver Medalists and AlphaGeometry to Outperform Gold Medalists at IMO Geometry
Proving geometric theorems constitutes a hallmark of visual reasoning combining both intuitive and logical skills. Therefore, automated theorem proving of Olympiad-level geometry problems is considered a notable milestone in human-level automated reasoning. The introduction of AlphaGeometry, a neuro-symbolic model trained with 100 million synthetic samples, marked a major breakthrough. It solved 25 of 30 International Mathematical Olympiad (IMO) problems whereas the reported baseline based on Wu's method solved only ten. In this note, we revisit the IMO-AG-30 Challenge introduced with AlphaGeometry, and find that Wu's method is surprisingly strong. Wu's method alone can solve 15 problems, and some of them are not solved by any of the other methods. This leads to two key findings: (i) Combining Wu's method with the classic synthetic methods of deductive databases and angle, ratio, and distance chasing solves 21 out of 30 methods by just using a CPU-only laptop with a time limit of 5 minutes per problem. Essentially, this classic method solves just 4 problems less than AlphaGeometry and establishes the first fully symbolic baseline strong enough to rival the performance of an IMO silver medalist. (ii) Wu's method even solves 2 of the 5 problems that AlphaGeometry failed to solve. Thus, by combining AlphaGeometry with Wu's method we set a new state-of-the-art for automated theorem proving on IMO-AG-30, solving 27 out of 30 problems, the first AI method which outperforms an IMO gold medalist.
Improve Representation for Imbalanced Regression through Geometric Constraints
In representation learning, uniformity refers to the uniform feature distribution in the latent space (i.e., unit hypersphere). Previous work has shown that improving uniformity contributes to the learning of under-represented classes. However, most of the previous work focused on classification; the representation space of imbalanced regression remains unexplored. Classification-based methods are not suitable for regression tasks because they cluster features into distinct groups without considering the continuous and ordered nature essential for regression. In a geometric aspect, we uniquely focus on ensuring uniformity in the latent space for imbalanced regression through two key losses: enveloping and homogeneity. The enveloping loss encourages the induced trace to uniformly occupy the surface of a hypersphere, while the homogeneity loss ensures smoothness, with representations evenly spaced at consistent intervals. Our method integrates these geometric principles into the data representations via a Surrogate-driven Representation Learning (SRL) framework. Experiments with real-world regression and operator learning tasks highlight the importance of uniformity in imbalanced regression and validate the efficacy of our geometry-based loss functions.
Geometric Representation Learning for Document Image Rectification
In document image rectification, there exist rich geometric constraints between the distorted image and the ground truth one. However, such geometric constraints are largely ignored in existing advanced solutions, which limits the rectification performance. To this end, we present DocGeoNet for document image rectification by introducing explicit geometric representation. Technically, two typical attributes of the document image are involved in the proposed geometric representation learning, i.e., 3D shape and textlines. Our motivation arises from the insight that 3D shape provides global unwarping cues for rectifying a distorted document image while overlooking the local structure. On the other hand, textlines complementarily provide explicit geometric constraints for local patterns. The learned geometric representation effectively bridges the distorted image and the ground truth one. Extensive experiments show the effectiveness of our framework and demonstrate the superiority of our DocGeoNet over state-of-the-art methods on both the DocUNet Benchmark dataset and our proposed DIR300 test set. The code is available at https://github.com/fh2019ustc/DocGeoNet.
Geometric Adversarial Attacks and Defenses on 3D Point Clouds
Deep neural networks are prone to adversarial examples that maliciously alter the network's outcome. Due to the increasing popularity of 3D sensors in safety-critical systems and the vast deployment of deep learning models for 3D point sets, there is a growing interest in adversarial attacks and defenses for such models. So far, the research has focused on the semantic level, namely, deep point cloud classifiers. However, point clouds are also widely used in a geometric-related form that includes encoding and reconstructing the geometry. In this work, we are the first to consider the problem of adversarial examples at a geometric level. In this setting, the question is how to craft a small change to a clean source point cloud that leads, after passing through an autoencoder model, to the reconstruction of a different target shape. Our attack is in sharp contrast to existing semantic attacks on 3D point clouds. While such works aim to modify the predicted label by a classifier, we alter the entire reconstructed geometry. Additionally, we demonstrate the robustness of our attack in the case of defense, where we show that remnant characteristics of the target shape are still present at the output after applying the defense to the adversarial input. Our code is publicly available at https://github.com/itailang/geometric_adv.
Sheaf Neural Networks with Connection Laplacians
A Sheaf Neural Network (SNN) is a type of Graph Neural Network (GNN) that operates on a sheaf, an object that equips a graph with vector spaces over its nodes and edges and linear maps between these spaces. SNNs have been shown to have useful theoretical properties that help tackle issues arising from heterophily and over-smoothing. One complication intrinsic to these models is finding a good sheaf for the task to be solved. Previous works proposed two diametrically opposed approaches: manually constructing the sheaf based on domain knowledge and learning the sheaf end-to-end using gradient-based methods. However, domain knowledge is often insufficient, while learning a sheaf could lead to overfitting and significant computational overhead. In this work, we propose a novel way of computing sheaves drawing inspiration from Riemannian geometry: we leverage the manifold assumption to compute manifold-and-graph-aware orthogonal maps, which optimally align the tangent spaces of neighbouring data points. We show that this approach achieves promising results with less computational overhead when compared to previous SNN models. Overall, this work provides an interesting connection between algebraic topology and differential geometry, and we hope that it will spark future research in this direction.
Incorporating Riemannian Geometric Features for Learning Coefficient of Pressure Distributions on Airplane Wings
The aerodynamic coefficients of aircrafts are significantly impacted by its geometry, especially when the angle of attack (AoA) is large. In the field of aerodynamics, traditional polynomial-based parameterization uses as few parameters as possible to describe the geometry of an airfoil. However, because the 3D geometry of a wing is more complicated than the 2D airfoil, polynomial-based parameterizations have difficulty in accurately representing the entire shape of a wing in 3D space. Existing deep learning-based methods can extract massive latent neural representations for the shape of 2D airfoils or 2D slices of wings. Recent studies highlight that directly taking geometric features as inputs to the neural networks can improve the accuracy of predicted aerodynamic coefficients. Motivated by geometry theory, we propose to incorporate Riemannian geometric features for learning Coefficient of Pressure (CP) distributions on wing surfaces. Our method calculates geometric features (Riemannian metric, connection, and curvature) and further inputs the geometric features, coordinates and flight conditions into a deep learning model to predict the CP distribution. Experimental results show that our method, compared to state-of-the-art Deep Attention Network (DAN), reduces the predicted mean square error (MSE) of CP by an average of 8.41% for the DLR-F11 aircraft test set.
Slow Perception: Let's Perceive Geometric Figures Step-by-step
Recently, "visual o1" began to enter people's vision, with expectations that this slow-thinking design can solve visual reasoning tasks, especially geometric math problems. However, the reality is that current LVLMs (Large Vision Language Models) can hardly even accurately copy a geometric figure, let alone truly understand the complex inherent logic and spatial relationships within geometric shapes. We believe accurate copying (strong perception) is the first step to visual o1. Accordingly, we introduce the concept of "slow perception" (SP), which guides the model to gradually perceive basic point-line combinations, as our humans, reconstruct complex geometric structures progressively. There are two-fold stages in SP: a) perception decomposition. Perception is not instantaneous. In this stage, complex geometric figures are broken down into basic simple units to unify geometry representation. b) perception flow, which acknowledges that accurately tracing a line is not an easy task. This stage aims to avoid "long visual jumps" in regressing line segments by using a proposed "perceptual ruler" to trace each line stroke-by-stroke. Surprisingly, such a human-like perception manner enjoys an inference time scaling law -- the slower, the better. Researchers strive to speed up the model's perception in the past, but we slow it down again, allowing the model to read the image step-by-step and carefully.
LGV: Boosting Adversarial Example Transferability from Large Geometric Vicinity
We propose transferability from Large Geometric Vicinity (LGV), a new technique to increase the transferability of black-box adversarial attacks. LGV starts from a pretrained surrogate model and collects multiple weight sets from a few additional training epochs with a constant and high learning rate. LGV exploits two geometric properties that we relate to transferability. First, models that belong to a wider weight optimum are better surrogates. Second, we identify a subspace able to generate an effective surrogate ensemble among this wider optimum. Through extensive experiments, we show that LGV alone outperforms all (combinations of) four established test-time transformations by 1.8 to 59.9 percentage points. Our findings shed new light on the importance of the geometry of the weight space to explain the transferability of adversarial examples.
A Framework for Fast and Stable Representations of Multiparameter Persistent Homology Decompositions
Topological data analysis (TDA) is an area of data science that focuses on using invariants from algebraic topology to provide multiscale shape descriptors for geometric data sets such as point clouds. One of the most important such descriptors is {\em persistent homology}, which encodes the change in shape as a filtration parameter changes; a typical parameter is the feature scale. For many data sets, it is useful to simultaneously vary multiple filtration parameters, for example feature scale and density. While the theoretical properties of single parameter persistent homology are well understood, less is known about the multiparameter case. In particular, a central question is the problem of representing multiparameter persistent homology by elements of a vector space for integration with standard machine learning algorithms. Existing approaches to this problem either ignore most of the multiparameter information to reduce to the one-parameter case or are heuristic and potentially unstable in the face of noise. In this article, we introduce a new general representation framework that leverages recent results on {\em decompositions} of multiparameter persistent homology. This framework is rich in information, fast to compute, and encompasses previous approaches. Moreover, we establish theoretical stability guarantees under this framework as well as efficient algorithms for practical computation, making this framework an applicable and versatile tool for analyzing geometric and point cloud data. We validate our stability results and algorithms with numerical experiments that demonstrate statistical convergence, prediction accuracy, and fast running times on several real data sets.
SweetDreamer: Aligning Geometric Priors in 2D Diffusion for Consistent Text-to-3D
It is inherently ambiguous to lift 2D results from pre-trained diffusion models to a 3D world for text-to-3D generation. 2D diffusion models solely learn view-agnostic priors and thus lack 3D knowledge during the lifting, leading to the multi-view inconsistency problem. We find that this problem primarily stems from geometric inconsistency, and avoiding misplaced geometric structures substantially mitigates the problem in the final outputs. Therefore, we improve the consistency by aligning the 2D geometric priors in diffusion models with well-defined 3D shapes during the lifting, addressing the vast majority of the problem. This is achieved by fine-tuning the 2D diffusion model to be viewpoint-aware and to produce view-specific coordinate maps of canonically oriented 3D objects. In our process, only coarse 3D information is used for aligning. This "coarse" alignment not only resolves the multi-view inconsistency in geometries but also retains the ability in 2D diffusion models to generate detailed and diversified high-quality objects unseen in the 3D datasets. Furthermore, our aligned geometric priors (AGP) are generic and can be seamlessly integrated into various state-of-the-art pipelines, obtaining high generalizability in terms of unseen shapes and visual appearance while greatly alleviating the multi-view inconsistency problem. Our method represents a new state-of-the-art performance with an 85+% consistency rate by human evaluation, while many previous methods are around 30%. Our project page is https://sweetdreamer3d.github.io/
Large-Scale 3D Medical Image Pre-training with Geometric Context Priors
The scarcity of annotations poses a significant challenge in medical image analysis. Large-scale pre-training has emerged as a promising label-efficient solution, owing to the utilization of large-scale data, large models, and advanced pre-training techniques. However, its development in medical images remains underexplored. The primary challenge lies in harnessing large-scale unlabeled data and learning high-level semantics without annotations. We observe that 3D medical images exhibit consistent geometric context, i.e., consistent geometric relations between different organs, which leads to a promising way for learning consistent representations. Motivated by this, we introduce a simple-yet-effective Volume Contrast (VoCo) framework to leverage geometric context priors for self-supervision. Given an input volume, we extract base crops from different regions to construct positive and negative pairs for contrastive learning. Then we predict the contextual position of a random crop by contrasting its similarity to the base crops. In this way, VoCo encodes the inherent geometric context into model representations, facilitating high-level semantic learning without annotations. Specifically, we (1) introduce the largest medical pre-training dataset PreCT-160K; (2) investigate scaling laws and propose guidelines for tailoring different model sizes to various medical tasks; (3) build a benchmark encompassing 48 medical tasks. Extensive experiments highlight the superiority of VoCo. Codes at https://github.com/Luffy03/Large-Scale-Medical.
UniGeo: Unifying Geometry Logical Reasoning via Reformulating Mathematical Expression
Geometry problem solving is a well-recognized testbed for evaluating the high-level multi-modal reasoning capability of deep models. In most existing works, two main geometry problems: calculation and proving, are usually treated as two specific tasks, hindering a deep model to unify its reasoning capability on multiple math tasks. However, in essence, these two tasks have similar problem representations and overlapped math knowledge which can improve the understanding and reasoning ability of a deep model on both two tasks. Therefore, we construct a large-scale Unified Geometry problem benchmark, UniGeo, which contains 4,998 calculation problems and 9,543 proving problems. Each proving problem is annotated with a multi-step proof with reasons and mathematical expressions. The proof can be easily reformulated as a proving sequence that shares the same formats with the annotated program sequence for calculation problems. Naturally, we also present a unified multi-task Geometric Transformer framework, Geoformer, to tackle calculation and proving problems simultaneously in the form of sequence generation, which finally shows the reasoning ability can be improved on both two tasks by unifying formulation. Furthermore, we propose a Mathematical Expression Pretraining (MEP) method that aims to predict the mathematical expressions in the problem solution, thus improving the Geoformer model. Experiments on the UniGeo demonstrate that our proposed Geoformer obtains state-of-the-art performance by outperforming task-specific model NGS with over 5.6% and 3.2% accuracies on calculation and proving problems, respectively.
Fast Graph Representation Learning with PyTorch Geometric
We introduce PyTorch Geometric, a library for deep learning on irregularly structured input data such as graphs, point clouds and manifolds, built upon PyTorch. In addition to general graph data structures and processing methods, it contains a variety of recently published methods from the domains of relational learning and 3D data processing. PyTorch Geometric achieves high data throughput by leveraging sparse GPU acceleration, by providing dedicated CUDA kernels and by introducing efficient mini-batch handling for input examples of different size. In this work, we present the library in detail and perform a comprehensive comparative study of the implemented methods in homogeneous evaluation scenarios.
Sora Generates Videos with Stunning Geometrical Consistency
The recently developed Sora model [1] has exhibited remarkable capabilities in video generation, sparking intense discussions regarding its ability to simulate real-world phenomena. Despite its growing popularity, there is a lack of established metrics to evaluate its fidelity to real-world physics quantitatively. In this paper, we introduce a new benchmark that assesses the quality of the generated videos based on their adherence to real-world physics principles. We employ a method that transforms the generated videos into 3D models, leveraging the premise that the accuracy of 3D reconstruction is heavily contingent on the video quality. From the perspective of 3D reconstruction, we use the fidelity of the geometric constraints satisfied by the constructed 3D models as a proxy to gauge the extent to which the generated videos conform to real-world physics rules. Project page: https://sora-geometrical-consistency.github.io/
Barycentric Subspace Analysis on Manifolds
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).
Doppelgangers: Learning to Disambiguate Images of Similar Structures
We consider the visual disambiguation task of determining whether a pair of visually similar images depict the same or distinct 3D surfaces (e.g., the same or opposite sides of a symmetric building). Illusory image matches, where two images observe distinct but visually similar 3D surfaces, can be challenging for humans to differentiate, and can also lead 3D reconstruction algorithms to produce erroneous results. We propose a learning-based approach to visual disambiguation, formulating it as a binary classification task on image pairs. To that end, we introduce a new dataset for this problem, Doppelgangers, which includes image pairs of similar structures with ground truth labels. We also design a network architecture that takes the spatial distribution of local keypoints and matches as input, allowing for better reasoning about both local and global cues. Our evaluation shows that our method can distinguish illusory matches in difficult cases, and can be integrated into SfM pipelines to produce correct, disambiguated 3D reconstructions. See our project page for our code, datasets, and more results: http://doppelgangers-3d.github.io/.
Sat2Density: Faithful Density Learning from Satellite-Ground Image Pairs
This paper aims to develop an accurate 3D geometry representation of satellite images using satellite-ground image pairs. Our focus is on the challenging problem of 3D-aware ground-views synthesis from a satellite image. We draw inspiration from the density field representation used in volumetric neural rendering and propose a new approach, called Sat2Density. Our method utilizes the properties of ground-view panoramas for the sky and non-sky regions to learn faithful density fields of 3D scenes in a geometric perspective. Unlike other methods that require extra depth information during training, our Sat2Density can automatically learn accurate and faithful 3D geometry via density representation without depth supervision. This advancement significantly improves the ground-view panorama synthesis task. Additionally, our study provides a new geometric perspective to understand the relationship between satellite and ground-view images in 3D space.
Synaptic Weight Distributions Depend on the Geometry of Plasticity
A growing literature in computational neuroscience leverages gradient descent and learning algorithms that approximate it to study synaptic plasticity in the brain. However, the vast majority of this work ignores a critical underlying assumption: the choice of distance for synaptic changes - i.e. the geometry of synaptic plasticity. Gradient descent assumes that the distance is Euclidean, but many other distances are possible, and there is no reason that biology necessarily uses Euclidean geometry. Here, using the theoretical tools provided by mirror descent, we show that the distribution of synaptic weights will depend on the geometry of synaptic plasticity. We use these results to show that experimentally-observed log-normal weight distributions found in several brain areas are not consistent with standard gradient descent (i.e. a Euclidean geometry), but rather with non-Euclidean distances. Finally, we show that it should be possible to experimentally test for different synaptic geometries by comparing synaptic weight distributions before and after learning. Overall, our work shows that the current paradigm in theoretical work on synaptic plasticity that assumes Euclidean synaptic geometry may be misguided and that it should be possible to experimentally determine the true geometry of synaptic plasticity in the brain.
FAENet: Frame Averaging Equivariant GNN for Materials Modeling
Applications of machine learning techniques for materials modeling typically involve functions known to be equivariant or invariant to specific symmetries. While graph neural networks (GNNs) have proven successful in such tasks, they enforce symmetries via the model architecture, which often reduces their expressivity, scalability and comprehensibility. In this paper, we introduce (1) a flexible framework relying on stochastic frame-averaging (SFA) to make any model E(3)-equivariant or invariant through data transformations. (2) FAENet: a simple, fast and expressive GNN, optimized for SFA, that processes geometric information without any symmetrypreserving design constraints. We prove the validity of our method theoretically and empirically demonstrate its superior accuracy and computational scalability in materials modeling on the OC20 dataset (S2EF, IS2RE) as well as common molecular modeling tasks (QM9, QM7-X). A package implementation is available at https://faenet.readthedocs.io.
Riemannian Score-Based Generative Modelling
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.
Explicit Correspondence Matching for Generalizable Neural Radiance Fields
We present a new generalizable NeRF method that is able to directly generalize to new unseen scenarios and perform novel view synthesis with as few as two source views. The key to our approach lies in the explicitly modeled correspondence matching information, so as to provide the geometry prior to the prediction of NeRF color and density for volume rendering. The explicit correspondence matching is quantified with the cosine similarity between image features sampled at the 2D projections of a 3D point on different views, which is able to provide reliable cues about the surface geometry. Unlike previous methods where image features are extracted independently for each view, we consider modeling the cross-view interactions via Transformer cross-attention, which greatly improves the feature matching quality. Our method achieves state-of-the-art results on different evaluation settings, with the experiments showing a strong correlation between our learned cosine feature similarity and volume density, demonstrating the effectiveness and superiority of our proposed method. Code is at https://github.com/donydchen/matchnerf
Roto-translated Local Coordinate Frames For Interacting Dynamical Systems
Modelling interactions is critical in learning complex dynamical systems, namely systems of interacting objects with highly non-linear and time-dependent behaviour. A large class of such systems can be formalized as geometric graphs, i.e., graphs with nodes positioned in the Euclidean space given an arbitrarily chosen global coordinate system, for instance vehicles in a traffic scene. Notwithstanding the arbitrary global coordinate system, the governing dynamics of the respective dynamical systems are invariant to rotations and translations, also known as Galilean invariance. As ignoring these invariances leads to worse generalization, in this work we propose local coordinate frames per node-object to induce roto-translation invariance to the geometric graph of the interacting dynamical system. Further, the local coordinate frames allow for a natural definition of anisotropic filtering in graph neural networks. Experiments in traffic scenes, 3D motion capture, and colliding particles demonstrate that the proposed approach comfortably outperforms the recent state-of-the-art.
Knowledge Graph Embedding with 3D Compound Geometric Transformations
The cascade of 2D geometric transformations were exploited to model relations between entities in a knowledge graph (KG), leading to an effective KG embedding (KGE) model, CompoundE. Furthermore, the rotation in the 3D space was proposed as a new KGE model, Rotate3D, by leveraging its non-commutative property. Inspired by CompoundE and Rotate3D, we leverage 3D compound geometric transformations, including translation, rotation, scaling, reflection, and shear and propose a family of KGE models, named CompoundE3D, in this work. CompoundE3D allows multiple design variants to match rich underlying characteristics of a KG. Since each variant has its own advantages on a subset of relations, an ensemble of multiple variants can yield superior performance. The effectiveness and flexibility of CompoundE3D are experimentally verified on four popular link prediction datasets.
Subequivariant Graph Reinforcement Learning in 3D Environments
Learning a shared policy that guides the locomotion of different agents is of core interest in Reinforcement Learning (RL), which leads to the study of morphology-agnostic RL. However, existing benchmarks are highly restrictive in the choice of starting point and target point, constraining the movement of the agents within 2D space. In this work, we propose a novel setup for morphology-agnostic RL, dubbed Subequivariant Graph RL in 3D environments (3D-SGRL). Specifically, we first introduce a new set of more practical yet challenging benchmarks in 3D space that allows the agent to have full Degree-of-Freedoms to explore in arbitrary directions starting from arbitrary configurations. Moreover, to optimize the policy over the enlarged state-action space, we propose to inject geometric symmetry, i.e., subequivariance, into the modeling of the policy and Q-function such that the policy can generalize to all directions, improving exploration efficiency. This goal is achieved by a novel SubEquivariant Transformer (SET) that permits expressive message exchange. Finally, we evaluate the proposed method on the proposed benchmarks, where our method consistently and significantly outperforms existing approaches on single-task, multi-task, and zero-shot generalization scenarios. Extensive ablations are also conducted to verify our design. Code and videos are available on our project page: https://alpc91.github.io/SGRL/.
A Characterization Theorem for Equivariant Networks with Point-wise Activations
Equivariant neural networks have shown improved performance, expressiveness and sample complexity on symmetrical domains. But for some specific symmetries, representations, and choice of coordinates, the most common point-wise activations, such as ReLU, are not equivariant, hence they cannot be employed in the design of equivariant neural networks. The theorem we present in this paper describes all possible combinations of finite-dimensional representations, choice of coordinates and point-wise activations to obtain an exactly equivariant layer, generalizing and strengthening existing characterizations. Notable cases of practical relevance are discussed as corollaries. Indeed, we prove that rotation-equivariant networks can only be invariant, as it happens for any network which is equivariant with respect to connected compact groups. Then, we discuss implications of our findings when applied to important instances of exactly equivariant networks. First, we completely characterize permutation equivariant networks such as Invariant Graph Networks with point-wise nonlinearities and their geometric counterparts, highlighting a plethora of models whose expressive power and performance are still unknown. Second, we show that feature spaces of disentangled steerable convolutional neural networks are trivial representations.
MMGP: a Mesh Morphing Gaussian Process-based machine learning method for regression of physical problems under non-parameterized geometrical variability
When learning simulations for modeling physical phenomena in industrial designs, geometrical variabilities are of prime interest. While classical regression techniques prove effective for parameterized geometries, practical scenarios often involve the absence of shape parametrization during the inference stage, leaving us with only mesh discretizations as available data. Learning simulations from such mesh-based representations poses significant challenges, with recent advances relying heavily on deep graph neural networks to overcome the limitations of conventional machine learning approaches. Despite their promising results, graph neural networks exhibit certain drawbacks, including their dependency on extensive datasets and limitations in providing built-in predictive uncertainties or handling large meshes. In this work, we propose a machine learning method that do not rely on graph neural networks. Complex geometrical shapes and variations with fixed topology are dealt with using well-known mesh morphing onto a common support, combined with classical dimensionality reduction techniques and Gaussian processes. The proposed methodology can easily deal with large meshes without the need for explicit shape parameterization and provides crucial predictive uncertainties, which are essential for informed decision-making. In the considered numerical experiments, the proposed method is competitive with respect to existing graph neural networks, regarding training efficiency and accuracy of the predictions.
Unsupervised Learning of Landmarks by Descriptor Vector Exchange
Equivariance to random image transformations is an effective method to learn landmarks of object categories, such as the eyes and the nose in faces, without manual supervision. However, this method does not explicitly guarantee that the learned landmarks are consistent with changes between different instances of the same object, such as different facial identities. In this paper, we develop a new perspective on the equivariance approach by noting that dense landmark detectors can be interpreted as local image descriptors equipped with invariance to intra-category variations. We then propose a direct method to enforce such an invariance in the standard equivariant loss. We do so by exchanging descriptor vectors between images of different object instances prior to matching them geometrically. In this manner, the same vectors must work regardless of the specific object identity considered. We use this approach to learn vectors that can simultaneously be interpreted as local descriptors and dense landmarks, combining the advantages of both. Experiments on standard benchmarks show that this approach can match, and in some cases surpass state-of-the-art performance amongst existing methods that learn landmarks without supervision. Code is available at www.robots.ox.ac.uk/~vgg/research/DVE/.
A Gromov--Wasserstein Geometric View of Spectrum-Preserving Graph Coarsening
Graph coarsening is a technique for solving large-scale graph problems by working on a smaller version of the original graph, and possibly interpolating the results back to the original graph. It has a long history in scientific computing and has recently gained popularity in machine learning, particularly in methods that preserve the graph spectrum. This work studies graph coarsening from a different perspective, developing a theory for preserving graph distances and proposing a method to achieve this. The geometric approach is useful when working with a collection of graphs, such as in graph classification and regression. In this study, we consider a graph as an element on a metric space equipped with the Gromov--Wasserstein (GW) distance, and bound the difference between the distance of two graphs and their coarsened versions. Minimizing this difference can be done using the popular weighted kernel K-means method, which improves existing spectrum-preserving methods with the proper choice of the kernel. The study includes a set of experiments to support the theory and method, including approximating the GW distance, preserving the graph spectrum, classifying graphs using spectral information, and performing regression using graph convolutional networks. Code is available at https://github.com/ychen-stat-ml/GW-Graph-Coarsening .
GlueStick: Robust Image Matching by Sticking Points and Lines Together
Line segments are powerful features complementary to points. They offer structural cues, robust to drastic viewpoint and illumination changes, and can be present even in texture-less areas. However, describing and matching them is more challenging compared to points due to partial occlusions, lack of texture, or repetitiveness. This paper introduces a new matching paradigm, where points, lines, and their descriptors are unified into a single wireframe structure. We propose GlueStick, a deep matching Graph Neural Network (GNN) that takes two wireframes from different images and leverages the connectivity information between nodes to better glue them together. In addition to the increased efficiency brought by the joint matching, we also demonstrate a large boost of performance when leveraging the complementary nature of these two features in a single architecture. We show that our matching strategy outperforms the state-of-the-art approaches independently matching line segments and points for a wide variety of datasets and tasks. The code is available at https://github.com/cvg/GlueStick.
Spot the Difference: Detection of Topological Changes via Geometric Alignment
Geometric alignment appears in a variety of applications, ranging from domain adaptation, optimal transport, and normalizing flows in machine learning; optical flow and learned augmentation in computer vision and deformable registration within biomedical imaging. A recurring challenge is the alignment of domains whose topology is not the same; a problem that is routinely ignored, potentially introducing bias in downstream analysis. As a first step towards solving such alignment problems, we propose an unsupervised algorithm for the detection of changes in image topology. The model is based on a conditional variational auto-encoder and detects topological changes between two images during the registration step. We account for both topological changes in the image under spatial variation and unexpected transformations. Our approach is validated on two tasks and datasets: detection of topological changes in microscopy images of cells, and unsupervised anomaly detection brain imaging.
DreamPolisher: Towards High-Quality Text-to-3D Generation via Geometric Diffusion
We present DreamPolisher, a novel Gaussian Splatting based method with geometric guidance, tailored to learn cross-view consistency and intricate detail from textual descriptions. While recent progress on text-to-3D generation methods have been promising, prevailing methods often fail to ensure view-consistency and textural richness. This problem becomes particularly noticeable for methods that work with text input alone. To address this, we propose a two-stage Gaussian Splatting based approach that enforces geometric consistency among views. Initially, a coarse 3D generation undergoes refinement via geometric optimization. Subsequently, we use a ControlNet driven refiner coupled with the geometric consistency term to improve both texture fidelity and overall consistency of the generated 3D asset. Empirical evaluations across diverse textual prompts spanning various object categories demonstrate the efficacy of DreamPolisher in generating consistent and realistic 3D objects, aligning closely with the semantics of the textual instructions.
Density-invariant Features for Distant Point Cloud Registration
Registration of distant outdoor LiDAR point clouds is crucial to extending the 3D vision of collaborative autonomous vehicles, and yet is challenging due to small overlapping area and a huge disparity between observed point densities. In this paper, we propose Group-wise Contrastive Learning (GCL) scheme to extract density-invariant geometric features to register distant outdoor LiDAR point clouds. We mark through theoretical analysis and experiments that, contrastive positives should be independent and identically distributed (i.i.d.), in order to train densityinvariant feature extractors. We propose upon the conclusion a simple yet effective training scheme to force the feature of multiple point clouds in the same spatial location (referred to as positive groups) to be similar, which naturally avoids the sampling bias introduced by a pair of point clouds to conform with the i.i.d. principle. The resulting fully-convolutional feature extractor is more powerful and density-invariant than state-of-the-art methods, improving the registration recall of distant scenarios on KITTI and nuScenes benchmarks by 40.9% and 26.9%, respectively. Code is available at https://github.com/liuQuan98/GCL.
CraftsMan: High-fidelity Mesh Generation with 3D Native Generation and Interactive Geometry Refiner
We present a novel generative 3D modeling system, coined CraftsMan, which can generate high-fidelity 3D geometries with highly varied shapes, regular mesh topologies, and detailed surfaces, and, notably, allows for refining the geometry in an interactive manner. Despite the significant advancements in 3D generation, existing methods still struggle with lengthy optimization processes, irregular mesh topologies, noisy surfaces, and difficulties in accommodating user edits, consequently impeding their widespread adoption and implementation in 3D modeling software. Our work is inspired by the craftsman, who usually roughs out the holistic figure of the work first and elaborates the surface details subsequently. Specifically, we employ a 3D native diffusion model, which operates on latent space learned from latent set-based 3D representations, to generate coarse geometries with regular mesh topology in seconds. In particular, this process takes as input a text prompt or a reference image and leverages a powerful multi-view (MV) diffusion model to generate multiple views of the coarse geometry, which are fed into our MV-conditioned 3D diffusion model for generating the 3D geometry, significantly improving robustness and generalizability. Following that, a normal-based geometry refiner is used to significantly enhance the surface details. This refinement can be performed automatically, or interactively with user-supplied edits. Extensive experiments demonstrate that our method achieves high efficacy in producing superior-quality 3D assets compared to existing methods. HomePage: https://craftsman3d.github.io/, Code: https://github.com/wyysf-98/CraftsMan
Topological street-network characterization through feature-vector and cluster analysis
Complex networks provide a means to describe cities through their street mesh, expressing characteristics that refer to the structure and organization of an urban zone. Although other studies have used complex networks to model street meshes, we observed a lack of methods to characterize the relationship between cities by using their topological features. Accordingly, this paper aims to describe interactions between cities by using vectors of topological features extracted from their street meshes represented as complex networks. The methodology of this study is based on the use of digital maps. Over the computational representation of such maps, we extract global complex-network features that embody the characteristics of the cities. These vectors allow for the use of multidimensional projection and clustering techniques, enabling a similarity-based comparison of the street meshes. We experiment with 645 cities from the Brazilian state of Sao Paulo. Our results show how the joint of global features describes urban indicators that are deep-rooted in the network's topology and how they reveal characteristics and similarities among sets of cities that are separated from each other.
Visualizing Large-scale and High-dimensional Data
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.
Relative representations enable zero-shot latent space communication
Neural networks embed the geometric structure of a data manifold lying in a high-dimensional space into latent representations. Ideally, the distribution of the data points in the latent space should depend only on the task, the data, the loss, and other architecture-specific constraints. However, factors such as the random weights initialization, training hyperparameters, or other sources of randomness in the training phase may induce incoherent latent spaces that hinder any form of reuse. Nevertheless, we empirically observe that, under the same data and modeling choices, the angles between the encodings within distinct latent spaces do not change. In this work, we propose the latent similarity between each sample and a fixed set of anchors as an alternative data representation, demonstrating that it can enforce the desired invariances without any additional training. We show how neural architectures can leverage these relative representations to guarantee, in practice, invariance to latent isometries and rescalings, effectively enabling latent space communication: from zero-shot model stitching to latent space comparison between diverse settings. We extensively validate the generalization capability of our approach on different datasets, spanning various modalities (images, text, graphs), tasks (e.g., classification, reconstruction) and architectures (e.g., CNNs, GCNs, transformers).
GeoCode: Interpretable Shape Programs
Mapping high-fidelity 3D geometry to a representation that allows for intuitive edits remains an elusive goal in computer vision and graphics. The key challenge is the need to model both continuous and discrete shape variations. Current approaches, such as implicit shape representation, lack straightforward interpretable encoding, while others that employ procedural methods output coarse geometry. We present GeoCode, a technique for 3D shape synthesis using an intuitively editable parameter space. We build a novel program that enforces a complex set of rules and enables users to perform intuitive and controlled high-level edits that procedurally propagate at a low level to the entire shape. Our program produces high-quality mesh outputs by construction. We use a neural network to map a given point cloud or sketch to our interpretable parameter space. Once produced by our procedural program, shapes can be easily modified. Empirically, we show that GeoCode can infer and recover 3D shapes more accurately compared to existing techniques and we demonstrate its ability to perform controlled local and global shape manipulations.
Effective Structural Encodings via Local Curvature Profiles
Structural and Positional Encodings can significantly improve the performance of Graph Neural Networks in downstream tasks. Recent literature has begun to systematically investigate differences in the structural properties that these approaches encode, as well as performance trade-offs between them. However, the question of which structural properties yield the most effective encoding remains open. In this paper, we investigate this question from a geometric perspective. We propose a novel structural encoding based on discrete Ricci curvature (Local Curvature Profiles, short LCP) and show that it significantly outperforms existing encoding approaches. We further show that combining local structural encodings, such as LCP, with global positional encodings improves downstream performance, suggesting that they capture complementary geometric information. Finally, we compare different encoding types with (curvature-based) rewiring techniques. Rewiring has recently received a surge of interest due to its ability to improve the performance of Graph Neural Networks by mitigating over-smoothing and over-squashing effects. Our results suggest that utilizing curvature information for structural encodings delivers significantly larger performance increases than rewiring.
Geometric Latent Diffusion Models for 3D Molecule Generation
Generative models, especially diffusion models (DMs), have achieved promising results for generating feature-rich geometries and advancing foundational science problems such as molecule design. Inspired by the recent huge success of Stable (latent) Diffusion models, we propose a novel and principled method for 3D molecule generation named Geometric Latent Diffusion Models (GeoLDM). GeoLDM is the first latent DM model for the molecular geometry domain, composed of autoencoders encoding structures into continuous latent codes and DMs operating in the latent space. Our key innovation is that for modeling the 3D molecular geometries, we capture its critical roto-translational equivariance constraints by building a point-structured latent space with both invariant scalars and equivariant tensors. Extensive experiments demonstrate that GeoLDM can consistently achieve better performance on multiple molecule generation benchmarks, with up to 7\% improvement for the valid percentage of large biomolecules. Results also demonstrate GeoLDM's higher capacity for controllable generation thanks to the latent modeling. Code is provided at https://github.com/MinkaiXu/GeoLDM.
Improving Convergence and Generalization Using Parameter Symmetries
In many neural networks, different values of the parameters may result in the same loss value. Parameter space symmetries are loss-invariant transformations that change the model parameters. Teleportation applies such transformations to accelerate optimization. However, the exact mechanism behind this algorithm's success is not well understood. In this paper, we show that teleportation not only speeds up optimization in the short-term, but gives overall faster time to convergence. Additionally, teleporting to minima with different curvatures improves generalization, which suggests a connection between the curvature of the minimum and generalization ability. Finally, we show that integrating teleportation into a wide range of optimization algorithms and optimization-based meta-learning improves convergence. Our results showcase the versatility of teleportation and demonstrate the potential of incorporating symmetry in optimization.
Unsupervised Hashing with Similarity Distribution Calibration
Unsupervised hashing methods typically aim to preserve the similarity between data points in a feature space by mapping them to binary hash codes. However, these methods often overlook the fact that the similarity between data points in the continuous feature space may not be preserved in the discrete hash code space, due to the limited similarity range of hash codes. The similarity range is bounded by the code length and can lead to a problem known as similarity collapse. That is, the positive and negative pairs of data points become less distinguishable from each other in the hash space. To alleviate this problem, in this paper a novel Similarity Distribution Calibration (SDC) method is introduced. SDC aligns the hash code similarity distribution towards a calibration distribution (e.g., beta distribution) with sufficient spread across the entire similarity range, thus alleviating the similarity collapse problem. Extensive experiments show that our SDC outperforms significantly the state-of-the-art alternatives on coarse category-level and instance-level image retrieval. Code is available at https://github.com/kamwoh/sdc.
Scaling Riemannian Diffusion Models
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.
Topologically Attributed Graphs for Shape Discrimination
In this paper we introduce a novel family of attributed graphs for the purpose of shape discrimination. Our graphs typically arise from variations on the Mapper graph construction, which is an approximation of the Reeb graph for point cloud data. Our attributions enrich these constructions with (persistent) homology in ways that are provably stable, thereby recording extra topological information that is typically lost in these graph constructions. We provide experiments which illustrate the use of these invariants for shape representation and classification. In particular, we obtain competitive shape classification results when using our topologically attributed graphs as inputs to a simple graph neural network classifier.
ShaRF: Shape-conditioned Radiance Fields from a Single View
We present a method for estimating neural scenes representations of objects given only a single image. The core of our method is the estimation of a geometric scaffold for the object and its use as a guide for the reconstruction of the underlying radiance field. Our formulation is based on a generative process that first maps a latent code to a voxelized shape, and then renders it to an image, with the object appearance being controlled by a second latent code. During inference, we optimize both the latent codes and the networks to fit a test image of a new object. The explicit disentanglement of shape and appearance allows our model to be fine-tuned given a single image. We can then render new views in a geometrically consistent manner and they represent faithfully the input object. Additionally, our method is able to generalize to images outside of the training domain (more realistic renderings and even real photographs). Finally, the inferred geometric scaffold is itself an accurate estimate of the object's 3D shape. We demonstrate in several experiments the effectiveness of our approach in both synthetic and real images.
IMP: Iterative Matching and Pose Estimation with Adaptive Pooling
Previous methods solve feature matching and pose estimation using a two-stage process by first finding matches and then estimating the pose. As they ignore the geometric relationships between the two tasks, they focus on either improving the quality of matches or filtering potential outliers, leading to limited efficiency or accuracy. In contrast, we propose an iterative matching and pose estimation framework (IMP) leveraging the geometric connections between the two tasks: a few good matches are enough for a roughly accurate pose estimation; a roughly accurate pose can be used to guide the matching by providing geometric constraints. To this end, we implement a geometry-aware recurrent attention-based module which jointly outputs sparse matches and camera poses. Specifically, for each iteration, we first implicitly embed geometric information into the module via a pose-consistency loss, allowing it to predict geometry-aware matches progressively. Second, we introduce an efficient IMP, called EIMP, to dynamically discard keypoints without potential matches, avoiding redundant updating and significantly reducing the quadratic time complexity of attention computation in transformers. Experiments on YFCC100m, Scannet, and Aachen Day-Night datasets demonstrate that the proposed method outperforms previous approaches in terms of accuracy and efficiency.
Unpaired Multi-domain Attribute Translation of 3D Facial Shapes with a Square and Symmetric Geometric Map
While impressive progress has recently been made in image-oriented facial attribute translation, shape-oriented 3D facial attribute translation remains an unsolved issue. This is primarily limited by the lack of 3D generative models and ineffective usage of 3D facial data. We propose a learning framework for 3D facial attribute translation to relieve these limitations. Firstly, we customize a novel geometric map for 3D shape representation and embed it in an end-to-end generative adversarial network. The geometric map represents 3D shapes symmetrically on a square image grid, while preserving the neighboring relationship of 3D vertices in a local least-square sense. This enables effective learning for the latent representation of data with different attributes. Secondly, we employ a unified and unpaired learning framework for multi-domain attribute translation. It not only makes effective usage of data correlation from multiple domains, but also mitigates the constraint for hardly accessible paired data. Finally, we propose a hierarchical architecture for the discriminator to guarantee robust results against both global and local artifacts. We conduct extensive experiments to demonstrate the advantage of the proposed framework over the state-of-the-art in generating high-fidelity facial shapes. Given an input 3D facial shape, the proposed framework is able to synthesize novel shapes of different attributes, which covers some downstream applications, such as expression transfer, gender translation, and aging. Code at https://github.com/NaughtyZZ/3D_facial_shape_attribute_translation_ssgmap.
CoReS: Compatible Representations via Stationarity
Compatible features enable the direct comparison of old and new learned features allowing to use them interchangeably over time. In visual search systems, this eliminates the need to extract new features from the gallery-set when the representation model is upgraded with novel data. This has a big value in real applications as re-indexing the gallery-set can be computationally expensive when the gallery-set is large, or even infeasible due to privacy or other concerns of the application. In this paper, we propose CoReS, a new training procedure to learn representations that are compatible with those previously learned, grounding on the stationarity of the features as provided by fixed classifiers based on polytopes. With this solution, classes are maximally separated in the representation space and maintain their spatial configuration stationary as new classes are added, so that there is no need to learn any mappings between representations nor to impose pairwise training with the previously learned model. We demonstrate that our training procedure largely outperforms the current state of the art and is particularly effective in the case of multiple upgrades of the training-set, which is the typical case in real applications.
TetSphere Splatting: Representing High-Quality Geometry with Lagrangian Volumetric Meshes
We introduce TetSphere Splatting, a Lagrangian geometry representation designed for high-quality 3D shape modeling. TetSphere splatting leverages an underused yet powerful geometric primitive -- volumetric tetrahedral meshes. It represents 3D shapes by deforming a collection of tetrahedral spheres, with geometric regularizations and constraints that effectively resolve common mesh issues such as irregular triangles, non-manifoldness, and floating artifacts. Experimental results on multi-view and single-view reconstruction highlight TetSphere splatting's superior mesh quality while maintaining competitive reconstruction accuracy compared to state-of-the-art methods. Additionally, TetSphere splatting demonstrates versatility by seamlessly integrating into generative modeling tasks, such as image-to-3D and text-to-3D generation.
The Numerical Stability of Hyperbolic Representation Learning
Given the exponential growth of the volume of the ball w.r.t. its radius, the hyperbolic space is capable of embedding trees with arbitrarily small distortion and hence has received wide attention for representing hierarchical datasets. However, this exponential growth property comes at a price of numerical instability such that training hyperbolic learning models will sometimes lead to catastrophic NaN problems, encountering unrepresentable values in floating point arithmetic. In this work, we carefully analyze the limitation of two popular models for the hyperbolic space, namely, the Poincar\'e ball and the Lorentz model. We first show that, under the 64 bit arithmetic system, the Poincar\'e ball has a relatively larger capacity than the Lorentz model for correctly representing points. Then, we theoretically validate the superiority of the Lorentz model over the Poincar\'e ball from the perspective of optimization. Given the numerical limitations of both models, we identify one Euclidean parametrization of the hyperbolic space which can alleviate these limitations. We further extend this Euclidean parametrization to hyperbolic hyperplanes and exhibits its ability in improving the performance of hyperbolic SVM.
G2L: Semantically Aligned and Uniform Video Grounding via Geodesic and Game Theory
The recent video grounding works attempt to introduce vanilla contrastive learning into video grounding. However, we claim that this naive solution is suboptimal. Contrastive learning requires two key properties: (1) alignment of features of similar samples, and (2) uniformity of the induced distribution of the normalized features on the hypersphere. Due to two annoying issues in video grounding: (1) the co-existence of some visual entities in both ground truth and other moments, \ie semantic overlapping; (2) only a few moments in the video are annotated, \ie sparse annotation dilemma, vanilla contrastive learning is unable to model the correlations between temporally distant moments and learned inconsistent video representations. Both characteristics lead to vanilla contrastive learning being unsuitable for video grounding. In this paper, we introduce Geodesic and Game Localization (G2L), a semantically aligned and uniform video grounding framework via geodesic and game theory. We quantify the correlations among moments leveraging the geodesic distance that guides the model to learn the correct cross-modal representations. Furthermore, from the novel perspective of game theory, we propose semantic Shapley interaction based on geodesic distance sampling to learn fine-grained semantic alignment in similar moments. Experiments on three benchmarks demonstrate the effectiveness of our method.
Historical Astronomical Diagrams Decomposition in Geometric Primitives
Automatically extracting the geometric content from the hundreds of thousands of diagrams drawn in historical manuscripts would enable historians to study the diffusion of astronomical knowledge on a global scale. However, state-of-the-art vectorization methods, often designed to tackle modern data, are not adapted to the complexity and diversity of historical astronomical diagrams. Our contribution is thus twofold. First, we introduce a unique dataset of 303 astronomical diagrams from diverse traditions, ranging from the XIIth to the XVIIIth century, annotated with more than 3000 line segments, circles and arcs. Second, we develop a model that builds on DINO-DETR to enable the prediction of multiple geometric primitives. We show that it can be trained solely on synthetic data and accurately predict primitives on our challenging dataset. Our approach widely improves over the LETR baseline, which is restricted to lines, by introducing a meaningful parametrization for multiple primitives, jointly training for detection and parameter refinement, using deformable attention and training on rich synthetic data. Our dataset and code are available on our webpage.
Task structure and nonlinearity jointly determine learned representational geometry
The utility of a learned neural representation depends on how well its geometry supports performance in downstream tasks. This geometry depends on the structure of the inputs, the structure of the target outputs, and the architecture of the network. By studying the learning dynamics of networks with one hidden layer, we discovered that the network's activation function has an unexpectedly strong impact on the representational geometry: Tanh networks tend to learn representations that reflect the structure of the target outputs, while ReLU networks retain more information about the structure of the raw inputs. This difference is consistently observed across a broad class of parameterized tasks in which we modulated the degree of alignment between the geometry of the task inputs and that of the task labels. We analyzed the learning dynamics in weight space and show how the differences between the networks with Tanh and ReLU nonlinearities arise from the asymmetric asymptotic behavior of ReLU, which leads feature neurons to specialize for different regions of input space. By contrast, feature neurons in Tanh networks tend to inherit the task label structure. Consequently, when the target outputs are low dimensional, Tanh networks generate neural representations that are more disentangled than those obtained with a ReLU nonlinearity. Our findings shed light on the interplay between input-output geometry, nonlinearity, and learned representations in neural networks.
UMERegRobust - Universal Manifold Embedding Compatible Features for Robust Point Cloud Registration
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).
Geometry Image Diffusion: Fast and Data-Efficient Text-to-3D with Image-Based Surface Representation
Generating high-quality 3D objects from textual descriptions remains a challenging problem due to computational cost, the scarcity of 3D data, and complex 3D representations. We introduce Geometry Image Diffusion (GIMDiffusion), a novel Text-to-3D model that utilizes geometry images to efficiently represent 3D shapes using 2D images, thereby avoiding the need for complex 3D-aware architectures. By integrating a Collaborative Control mechanism, we exploit the rich 2D priors of existing Text-to-Image models such as Stable Diffusion. This enables strong generalization even with limited 3D training data (allowing us to use only high-quality training data) as well as retaining compatibility with guidance techniques such as IPAdapter. In short, GIMDiffusion enables the generation of 3D assets at speeds comparable to current Text-to-Image models. The generated objects consist of semantically meaningful, separate parts and include internal structures, enhancing both usability and versatility.
Classifying Clustering Schemes
Many clustering schemes are defined by optimizing an objective function defined on the partitions of the underlying set of a finite metric space. In this paper, we construct a framework for studying what happens when we instead impose various structural conditions on the clustering schemes, under the general heading of functoriality. Functoriality refers to the idea that one should be able to compare the results of clustering algorithms as one varies the data set, for example by adding points or by applying functions to it. We show that within this framework, one can prove a theorems analogous to one of J. Kleinberg, in which for example one obtains an existence and uniqueness theorem instead of a non-existence result. We obtain a full classification of all clustering schemes satisfying a condition we refer to as excisiveness. The classification can be changed by varying the notion of maps of finite metric spaces. The conditions occur naturally when one considers clustering as the statistical version of the geometric notion of connected components. By varying the degree of functoriality that one requires from the schemes it is possible to construct richer families of clustering schemes that exhibit sensitivity to density.
Frame Averaging for Invariant and Equivariant Network Design
Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond 2-WL graph separation, and n-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.
Yes, we CANN: Constrained Approximate Nearest Neighbors for local feature-based visual localization
Large-scale visual localization systems continue to rely on 3D point clouds built from image collections using structure-from-motion. While the 3D points in these models are represented using local image features, directly matching a query image's local features against the point cloud is challenging due to the scale of the nearest-neighbor search problem. Many recent approaches to visual localization have thus proposed a hybrid method, where first a global (per image) embedding is used to retrieve a small subset of database images, and local features of the query are matched only against those. It seems to have become common belief that global embeddings are critical for said image-retrieval in visual localization, despite the significant downside of having to compute two feature types for each query image. In this paper, we take a step back from this assumption and propose Constrained Approximate Nearest Neighbors (CANN), a joint solution of k-nearest-neighbors across both the geometry and appearance space using only local features. We first derive the theoretical foundation for k-nearest-neighbor retrieval across multiple metrics and then showcase how CANN improves visual localization. Our experiments on public localization benchmarks demonstrate that our method significantly outperforms both state-of-the-art global feature-based retrieval and approaches using local feature aggregation schemes. Moreover, it is an order of magnitude faster in both index and query time than feature aggregation schemes for these datasets. Code will be released.
Template shape estimation: correcting an asymptotic bias
We use tools from geometric statistics to analyze the usual estimation procedure of a template shape. This applies to shapes from landmarks, curves, surfaces, images etc. We demonstrate the asymptotic bias of the template shape estimation using the stratified geometry of the shape space. We give a Taylor expansion of the bias with respect to a parameter sigma describing the measurement error on the data. We propose two bootstrap procedures that quantify the bias and correct it, if needed. They are applicable for any type of shape data. We give a rule of thumb to provide intuition on whether the bias has to be corrected. This exhibits the parameters that control the bias' magnitude. We illustrate our results on simulated and real shape data.
Automated Creation of Digital Cousins for Robust Policy Learning
Training robot policies in the real world can be unsafe, costly, and difficult to scale. Simulation serves as an inexpensive and potentially limitless source of training data, but suffers from the semantics and physics disparity between simulated and real-world environments. These discrepancies can be minimized by training in digital twins, which serve as virtual replicas of a real scene but are expensive to generate and cannot produce cross-domain generalization. To address these limitations, we propose the concept of digital cousins, a virtual asset or scene that, unlike a digital twin, does not explicitly model a real-world counterpart but still exhibits similar geometric and semantic affordances. As a result, digital cousins simultaneously reduce the cost of generating an analogous virtual environment while also facilitating better robustness during sim-to-real domain transfer by providing a distribution of similar training scenes. Leveraging digital cousins, we introduce a novel method for their automated creation, and propose a fully automated real-to-sim-to-real pipeline for generating fully interactive scenes and training robot policies that can be deployed zero-shot in the original scene. We find that digital cousin scenes that preserve geometric and semantic affordances can be produced automatically, and can be used to train policies that outperform policies trained on digital twins, achieving 90% vs. 25% success rates under zero-shot sim-to-real transfer. Additional details are available at https://digital-cousins.github.io/.
Point-PEFT: Parameter-Efficient Fine-Tuning for 3D Pre-trained Models
The popularity of pre-trained large models has revolutionized downstream tasks across diverse fields, such as language, vision, and multi-modality. To minimize the adaption cost for downstream tasks, many Parameter-Efficient Fine-Tuning (PEFT) techniques are proposed for language and 2D image pre-trained models. However, the specialized PEFT method for 3D pre-trained models is still under-explored. To this end, we introduce Point-PEFT, a novel framework for adapting point cloud pre-trained models with minimal learnable parameters. Specifically, for a pre-trained 3D model, we freeze most of its parameters, and only tune the newly added PEFT modules on downstream tasks, which consist of a Point-prior Prompt and a Geometry-aware Adapter. The Point-prior Prompt adopts a set of learnable prompt tokens, for which we propose to construct a memory bank with domain-specific knowledge, and utilize a parameter-free attention to enhance the prompt tokens. The Geometry-aware Adapter aims to aggregate point cloud features within spatial neighborhoods to capture fine-grained geometric information through local interactions. Extensive experiments indicate that our Point-PEFT can achieve better performance than the full fine-tuning on various downstream tasks, while using only 5% of the trainable parameters, demonstrating the efficiency and effectiveness of our approach. Code is released at https://github.com/Ivan-Tang-3D/Point-PEFT.
Enhancing Worldwide Image Geolocation by Ensembling Satellite-Based Ground-Level Attribute Predictors
Geolocating images of a ground-level scene entails estimating the location on Earth where the picture was taken, in absence of GPS or other location metadata. Typically, methods are evaluated by measuring the Great Circle Distance (GCD) between a predicted location and ground truth. However, this measurement is limited because it only evaluates a single point, not estimates of regions or score heatmaps. This is especially important in applications to rural, wilderness and under-sampled areas, where finding the exact location may not be possible, and when used in aggregate systems that progressively narrow down locations. In this paper, we introduce a novel metric, Recall vs Area (RvA), which measures the accuracy of estimated distributions of locations. RvA treats image geolocation results similarly to document retrieval, measuring recall as a function of area: For a ranked list of (possibly non-contiguous) predicted regions, we measure the accumulated area required for the region to contain the ground truth coordinate. This produces a curve similar to a precision-recall curve, where "precision" is replaced by square kilometers area, allowing evaluation of performance for different downstream search area budgets. Following directly from this view of the problem, we then examine a simple ensembling approach to global-scale image geolocation, which incorporates information from multiple sources to help address domain shift, and can readily incorporate multiple models, attribute predictors, and data sources. We study its effectiveness by combining the geolocation models GeoEstimation and the current SOTA GeoCLIP, with attribute predictors based on ORNL LandScan and ESA-CCI Land Cover. We find significant improvements in image geolocation for areas that are under-represented in the training set, particularly non-urban areas, on both Im2GPS3k and Street View images.
Efficient Graph Field Integrators Meet Point Clouds
We present two new classes of algorithms for efficient field integration on graphs encoding point clouds. The first class, SeparatorFactorization(SF), leverages the bounded genus of point cloud mesh graphs, while the second class, RFDiffusion(RFD), uses popular epsilon-nearest-neighbor graph representations for point clouds. Both can be viewed as providing the functionality of Fast Multipole Methods (FMMs), which have had a tremendous impact on efficient integration, but for non-Euclidean spaces. We focus on geometries induced by distributions of walk lengths between points (e.g., shortest-path distance). We provide an extensive theoretical analysis of our algorithms, obtaining new results in structural graph theory as a byproduct. We also perform exhaustive empirical evaluation, including on-surface interpolation for rigid and deformable objects (particularly for mesh-dynamics modeling), Wasserstein distance computations for point clouds, and the Gromov-Wasserstein variant.
Learning Symmetrization for Equivariance with Orbit Distance Minimization
We present a general framework for symmetrizing an arbitrary neural-network architecture and making it equivariant with respect to a given group. We build upon the proposals of Kim et al. (2023); Kaba et al. (2023) for symmetrization, and improve them by replacing their conversion of neural features into group representations, with an optimization whose loss intuitively measures the distance between group orbits. This change makes our approach applicable to a broader range of matrix groups, such as the Lorentz group O(1, 3), than these two proposals. We experimentally show our method's competitiveness on the SO(2) image classification task, and also its increased generality on the task with O(1, 3). Our implementation will be made accessible at https://github.com/tiendatnguyen-vision/Orbit-symmetrize.
Differentiability and Optimization of Multiparameter Persistent Homology
Real-valued functions on geometric data -- such as node attributes on a graph -- can be optimized using descriptors from persistent homology, allowing the user to incorporate topological terms in the loss function. When optimizing a single real-valued function (the one-parameter setting), there is a canonical choice of descriptor for persistent homology: the barcode. The operation mapping a real-valued function to its barcode is differentiable almost everywhere, and the convergence of gradient descent for losses using barcodes is relatively well understood. When optimizing a vector-valued function (the multiparameter setting), there is no unique choice of descriptor for multiparameter persistent homology, and many distinct descriptors have been proposed. This calls for the development of a general framework for differentiability and optimization that applies to a wide range of multiparameter homological descriptors. In this article, we develop such a framework and show that it encompasses well-known descriptors of different flavors, such as signed barcodes and the multiparameter persistence landscape. We complement the theory with numerical experiments supporting the idea that optimizing multiparameter homological descriptors can lead to improved performances compared to optimizing one-parameter descriptors, even when using the simplest and most efficiently computable multiparameter descriptors.
Building Neural Networks on Matrix Manifolds: A Gyrovector Space Approach
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.
Equivariant Single View Pose Prediction Via Induced and Restricted Representations
Learning about the three-dimensional world from two-dimensional images is a fundamental problem in computer vision. An ideal neural network architecture for such tasks would leverage the fact that objects can be rotated and translated in three dimensions to make predictions about novel images. However, imposing SO(3)-equivariance on two-dimensional inputs is difficult because the group of three-dimensional rotations does not have a natural action on the two-dimensional plane. Specifically, it is possible that an element of SO(3) will rotate an image out of plane. We show that an algorithm that learns a three-dimensional representation of the world from two dimensional images must satisfy certain geometric consistency properties which we formulate as SO(2)-equivariance constraints. We use the induced and restricted representations of SO(2) on SO(3) to construct and classify architectures which satisfy these geometric consistency constraints. We prove that any architecture which respects said consistency constraints can be realized as an instance of our construction. We show that three previously proposed neural architectures for 3D pose prediction are special cases of our construction. We propose a new algorithm that is a learnable generalization of previously considered methods. We test our architecture on three pose predictions task and achieve SOTA results on both the PASCAL3D+ and SYMSOL pose estimation tasks.
Transitive Invariance for Self-supervised Visual Representation Learning
Learning visual representations with self-supervised learning has become popular in computer vision. The idea is to design auxiliary tasks where labels are free to obtain. Most of these tasks end up providing data to learn specific kinds of invariance useful for recognition. In this paper, we propose to exploit different self-supervised approaches to learn representations invariant to (i) inter-instance variations (two objects in the same class should have similar features) and (ii) intra-instance variations (viewpoint, pose, deformations, illumination, etc). Instead of combining two approaches with multi-task learning, we argue to organize and reason the data with multiple variations. Specifically, we propose to generate a graph with millions of objects mined from hundreds of thousands of videos. The objects are connected by two types of edges which correspond to two types of invariance: "different instances but a similar viewpoint and category" and "different viewpoints of the same instance". By applying simple transitivity on the graph with these edges, we can obtain pairs of images exhibiting richer visual invariance. We use this data to train a Triplet-Siamese network with VGG16 as the base architecture and apply the learned representations to different recognition tasks. For object detection, we achieve 63.2% mAP on PASCAL VOC 2007 using Fast R-CNN (compare to 67.3% with ImageNet pre-training). For the challenging COCO dataset, our method is surprisingly close (23.5%) to the ImageNet-supervised counterpart (24.4%) using the Faster R-CNN framework. We also show that our network can perform significantly better than the ImageNet network in the surface normal estimation task.
Integrating Efficient Optimal Transport and Functional Maps For Unsupervised Shape Correspondence Learning
In the realm of computer vision and graphics, accurately establishing correspondences between geometric 3D shapes is pivotal for applications like object tracking, registration, texture transfer, and statistical shape analysis. Moving beyond traditional hand-crafted and data-driven feature learning methods, we incorporate spectral methods with deep learning, focusing on functional maps (FMs) and optimal transport (OT). Traditional OT-based approaches, often reliant on entropy regularization OT in learning-based framework, face computational challenges due to their quadratic cost. Our key contribution is to employ the sliced Wasserstein distance (SWD) for OT, which is a valid fast optimal transport metric in an unsupervised shape matching framework. This unsupervised framework integrates functional map regularizers with a novel OT-based loss derived from SWD, enhancing feature alignment between shapes treated as discrete probability measures. We also introduce an adaptive refinement process utilizing entropy regularized OT, further refining feature alignments for accurate point-to-point correspondences. Our method demonstrates superior performance in non-rigid shape matching, including near-isometric and non-isometric scenarios, and excels in downstream tasks like segmentation transfer. The empirical results on diverse datasets highlight our framework's effectiveness and generalization capabilities, setting new standards in non-rigid shape matching with efficient OT metrics and an adaptive refinement module.
Weighting vectors for machine learning: numerical harmonic analysis applied to boundary detection
Metric space magnitude, an active field of research in algebraic topology, is a scalar quantity that summarizes the effective number of distinct points that live in a general metric space. The {\em weighting vector} is a closely-related concept that captures, in a nontrivial way, much of the underlying geometry of the original metric space. Recent work has demonstrated that when the metric space is Euclidean, the weighting vector serves as an effective tool for boundary detection. We recast this result and show the weighting vector may be viewed as a solution to a kernelized SVM. As one consequence, we apply this new insight to the task of outlier detection, and we demonstrate performance that is competitive or exceeds performance of state-of-the-art techniques on benchmark data sets. Under mild assumptions, we show the weighting vector, which has computational cost of matrix inversion, can be efficiently approximated in linear time. We show how nearest neighbor methods can approximate solutions to the minimization problems defined by SVMs.
3D-PreMise: Can Large Language Models Generate 3D Shapes with Sharp Features and Parametric Control?
Recent advancements in implicit 3D representations and generative models have markedly propelled the field of 3D object generation forward. However, it remains a significant challenge to accurately model geometries with defined sharp features under parametric controls, which is crucial in fields like industrial design and manufacturing. To bridge this gap, we introduce a framework that employs Large Language Models (LLMs) to generate text-driven 3D shapes, manipulating 3D software via program synthesis. We present 3D-PreMise, a dataset specifically tailored for 3D parametric modeling of industrial shapes, designed to explore state-of-the-art LLMs within our proposed pipeline. Our work reveals effective generation strategies and delves into the self-correction capabilities of LLMs using a visual interface. Our work highlights both the potential and limitations of LLMs in 3D parametric modeling for industrial applications.
AirPlanes: Accurate Plane Estimation via 3D-Consistent Embeddings
Extracting planes from a 3D scene is useful for downstream tasks in robotics and augmented reality. In this paper we tackle the problem of estimating the planar surfaces in a scene from posed images. Our first finding is that a surprisingly competitive baseline results from combining popular clustering algorithms with recent improvements in 3D geometry estimation. However, such purely geometric methods are understandably oblivious to plane semantics, which are crucial to discerning distinct planes. To overcome this limitation, we propose a method that predicts multi-view consistent plane embeddings that complement geometry when clustering points into planes. We show through extensive evaluation on the ScanNetV2 dataset that our new method outperforms existing approaches and our strong geometric baseline for the task of plane estimation.
SIGMA: Scale-Invariant Global Sparse Shape Matching
We propose a novel mixed-integer programming (MIP) formulation for generating precise sparse correspondences for highly non-rigid shapes. To this end, we introduce a projected Laplace-Beltrami operator (PLBO) which combines intrinsic and extrinsic geometric information to measure the deformation quality induced by predicted correspondences. We integrate the PLBO, together with an orientation-aware regulariser, into a novel MIP formulation that can be solved to global optimality for many practical problems. In contrast to previous methods, our approach is provably invariant to rigid transformations and global scaling, initialisation-free, has optimality guarantees, and scales to high resolution meshes with (empirically observed) linear time. We show state-of-the-art results for sparse non-rigid matching on several challenging 3D datasets, including data with inconsistent meshing, as well as applications in mesh-to-point-cloud matching.
Practical applications of metric space magnitude and weighting vectors
Metric space magnitude, an active subject of research in algebraic topology, originally arose in the context of biology, where it was used to represent the effective number of distinct species in an environment. In a more general setting, the magnitude of a metric space is a real number that aims to quantify the effective number of distinct points in the space. The contribution of each point to a metric space's global magnitude, which is encoded by the {\em weighting vector}, captures much of the underlying geometry of the original metric space. Surprisingly, when the metric space is Euclidean, the weighting vector also serves as an effective tool for boundary detection. This allows the weighting vector to serve as the foundation of novel algorithms for classic machine learning tasks such as classification, outlier detection and active learning. We demonstrate, using experiments and comparisons on classic benchmark datasets, the promise of the proposed magnitude and weighting vector-based approaches.
GeoDream: Disentangling 2D and Geometric Priors for High-Fidelity and Consistent 3D Generation
Text-to-3D generation by distilling pretrained large-scale text-to-image diffusion models has shown great promise but still suffers from inconsistent 3D geometric structures (Janus problems) and severe artifacts. The aforementioned problems mainly stem from 2D diffusion models lacking 3D awareness during the lifting. In this work, we present GeoDream, a novel method that incorporates explicit generalized 3D priors with 2D diffusion priors to enhance the capability of obtaining unambiguous 3D consistent geometric structures without sacrificing diversity or fidelity. Specifically, we first utilize a multi-view diffusion model to generate posed images and then construct cost volume from the predicted image, which serves as native 3D geometric priors, ensuring spatial consistency in 3D space. Subsequently, we further propose to harness 3D geometric priors to unlock the great potential of 3D awareness in 2D diffusion priors via a disentangled design. Notably, disentangling 2D and 3D priors allows us to refine 3D geometric priors further. We justify that the refined 3D geometric priors aid in the 3D-aware capability of 2D diffusion priors, which in turn provides superior guidance for the refinement of 3D geometric priors. Our numerical and visual comparisons demonstrate that GeoDream generates more 3D consistent textured meshes with high-resolution realistic renderings (i.e., 1024 times 1024) and adheres more closely to semantic coherence.
Hyperbolic Geometric Latent Diffusion Model for Graph Generation
Diffusion models have made significant contributions to computer vision, sparking a growing interest in the community recently regarding the application of them to graph generation. Existing discrete graph diffusion models exhibit heightened computational complexity and diminished training efficiency. A preferable and natural way is to directly diffuse the graph within the latent space. However, due to the non-Euclidean structure of graphs is not isotropic in the latent space, the existing latent diffusion models effectively make it difficult to capture and preserve the topological information of graphs. To address the above challenges, we propose a novel geometrically latent diffusion framework HypDiff. Specifically, we first establish a geometrically latent space with interpretability measures based on hyperbolic geometry, to define anisotropic latent diffusion processes for graphs. Then, we propose a geometrically latent diffusion process that is constrained by both radial and angular geometric properties, thereby ensuring the preservation of the original topological properties in the generative graphs. Extensive experimental results demonstrate the superior effectiveness of HypDiff for graph generation with various topologies.
Deformable Surface Reconstruction via Riemannian Metric Preservation
Estimating the pose of an object from a monocular image is an inverse problem fundamental in computer vision. The ill-posed nature of this problem requires incorporating deformation priors to solve it. In practice, many materials do not perceptibly shrink or extend when manipulated, constituting a powerful and well-known prior. Mathematically, this translates to the preservation of the Riemannian metric. Neural networks offer the perfect playground to solve the surface reconstruction problem as they can approximate surfaces with arbitrary precision and allow the computation of differential geometry quantities. This paper presents an approach to inferring continuous deformable surfaces from a sequence of images, which is benchmarked against several techniques and obtains state-of-the-art performance without the need for offline training.
Molecule3D: A Benchmark for Predicting 3D Geometries from Molecular Graphs
Graph neural networks are emerging as promising methods for modeling molecular graphs, in which nodes and edges correspond to atoms and chemical bonds, respectively. Recent studies show that when 3D molecular geometries, such as bond lengths and angles, are available, molecular property prediction tasks can be made more accurate. However, computing of 3D molecular geometries requires quantum calculations that are computationally prohibitive. For example, accurate calculation of 3D geometries of a small molecule requires hours of computing time using density functional theory (DFT). Here, we propose to predict the ground-state 3D geometries from molecular graphs using machine learning methods. To make this feasible, we develop a benchmark, known as Molecule3D, that includes a dataset with precise ground-state geometries of approximately 4 million molecules derived from DFT. We also provide a set of software tools for data processing, splitting, training, and evaluation, etc. Specifically, we propose to assess the error and validity of predicted geometries using four metrics. We implement two baseline methods that either predict the pairwise distance between atoms or atom coordinates in 3D space. Experimental results show that, compared with generating 3D geometries with RDKit, our method can achieve comparable prediction accuracy but with much smaller computational costs. Our Molecule3D is available as a module of the MoleculeX software library (https://github.com/divelab/MoleculeX).
Diffusion 3D Features (Diff3F): Decorating Untextured Shapes with Distilled Semantic Features
We present Diff3F as a simple, robust, and class-agnostic feature descriptor that can be computed for untextured input shapes (meshes or point clouds). Our method distills diffusion features from image foundational models onto input shapes. Specifically, we use the input shapes to produce depth and normal maps as guidance for conditional image synthesis. In the process, we produce (diffusion) features in 2D that we subsequently lift and aggregate on the original surface. Our key observation is that even if the conditional image generations obtained from multi-view rendering of the input shapes are inconsistent, the associated image features are robust and, hence, can be directly aggregated across views. This produces semantic features on the input shapes, without requiring additional data or training. We perform extensive experiments on multiple benchmarks (SHREC'19, SHREC'20, FAUST, and TOSCA) and demonstrate that our features, being semantic instead of geometric, produce reliable correspondence across both isometric and non-isometrically related shape families. Code is available via the project page at https://diff3f.github.io/
Marching-Primitives: Shape Abstraction from Signed Distance Function
Representing complex objects with basic geometric primitives has long been a topic in computer vision. Primitive-based representations have the merits of compactness and computational efficiency in higher-level tasks such as physics simulation, collision checking, and robotic manipulation. Unlike previous works which extract polygonal meshes from a signed distance function (SDF), in this paper, we present a novel method, named Marching-Primitives, to obtain a primitive-based abstraction directly from an SDF. Our method grows geometric primitives (such as superquadrics) iteratively by analyzing the connectivity of voxels while marching at different levels of signed distance. For each valid connected volume of interest, we march on the scope of voxels from which a primitive is able to be extracted in a probabilistic sense and simultaneously solve for the parameters of the primitive to capture the underlying local geometry. We evaluate the performance of our method on both synthetic and real-world datasets. The results show that the proposed method outperforms the state-of-the-art in terms of accuracy, and is directly generalizable among different categories and scales. The code is open-sourced at https://github.com/ChirikjianLab/Marching-Primitives.git.
Mesh2Tex: Generating Mesh Textures from Image Queries
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.
Img2CAD: Conditioned 3D CAD Model Generation from Single Image with Structured Visual Geometry
In this paper, we propose Img2CAD, the first approach to our knowledge that uses 2D image inputs to generate CAD models with editable parameters. Unlike existing AI methods for 3D model generation using text or image inputs often rely on mesh-based representations, which are incompatible with CAD tools and lack editability and fine control, Img2CAD enables seamless integration between AI-based 3D reconstruction and CAD software. We have identified an innovative intermediate representation called Structured Visual Geometry (SVG), characterized by vectorized wireframes extracted from objects. This representation significantly enhances the performance of generating conditioned CAD models. Additionally, we introduce two new datasets to further support research in this area: ABC-mono, the largest known dataset comprising over 200,000 3D CAD models with rendered images, and KOCAD, the first dataset featuring real-world captured objects alongside their ground truth CAD models, supporting further research in conditioned CAD model generation.
O(n)-invariant Riemannian metrics on SPD matrices
Symmetric Positive Definite (SPD) matrices are ubiquitous in data analysis under the form of covariance matrices or correlation matrices. Several O(n)-invariant Riemannian metrics were defined on the SPD cone, in particular the kernel metrics introduced by Hiai and Petz. The class of kernel metrics interpolates between many classical O(n)-invariant metrics and it satisfies key results of stability and completeness. However, it does not contain all the classical O(n)-invariant metrics. Therefore in this work, we investigate super-classes of kernel metrics and we study which key results remain true. We also introduce an additional key result called cometric-stability, a crucial property to implement geodesics with a Hamiltonian formulation. Our method to build intermediate embedded classes between O(n)-invariant metrics and kernel metrics is to give a characterization of the whole class of O(n)-invariant metrics on SPD matrices and to specify requirements on metrics one by one until we reach kernel metrics. As a secondary contribution, we synthesize the literature on the main O(n)-invariant metrics, we provide the complete formula of the sectional curvature of the affine-invariant metric and the formula of the geodesic parallel transport between commuting matrices for the Bures-Wasserstein metric.
Approximately Piecewise E(3) Equivariant Point Networks
Integrating a notion of symmetry into point cloud neural networks is a provably effective way to improve their generalization capability. Of particular interest are E(3) equivariant point cloud networks where Euclidean transformations applied to the inputs are preserved in the outputs. Recent efforts aim to extend networks that are E(3) equivariant, to accommodate inputs made of multiple parts, each of which exhibits local E(3) symmetry. In practical settings, however, the partitioning into individually transforming regions is unknown a priori. Errors in the partition prediction would unavoidably map to errors in respecting the true input symmetry. Past works have proposed different ways to predict the partition, which may exhibit uncontrolled errors in their ability to maintain equivariance to the actual partition. To this end, we introduce APEN: a general framework for constructing approximate piecewise-E(3) equivariant point networks. Our primary insight is that functions that are equivariant with respect to a finer partition will also maintain equivariance in relation to the true partition. Leveraging this observation, we propose a design where the equivariance approximation error at each layers can be bounded solely in terms of (i) uncertainty quantification of the partition prediction, and (ii) bounds on the probability of failing to suggest a proper subpartition of the ground truth one. We demonstrate the effectiveness of APEN using two data types exemplifying part-based symmetry: (i) real-world scans of room scenes containing multiple furniture-type objects; and, (ii) human motions, characterized by articulated parts exhibiting rigid movement. Our empirical results demonstrate the advantage of integrating piecewise E(3) symmetry into network design, showing a distinct improvement in generalization compared to prior works for both classification and segmentation tasks.
Federated Wasserstein Distance
We introduce a principled way of computing the Wasserstein distance between two distributions in a federated manner. Namely, we show how to estimate the Wasserstein distance between two samples stored and kept on different devices/clients whilst a central entity/server orchestrates the computations (again, without having access to the samples). To achieve this feat, we take advantage of the geometric properties of the Wasserstein distance -- in particular, the triangle inequality -- and that of the associated {\em geodesics}: our algorithm, FedWad (for Federated Wasserstein Distance), iteratively approximates the Wasserstein distance by manipulating and exchanging distributions from the space of geodesics in lieu of the input samples. In addition to establishing the convergence properties of FedWad, we provide empirical results on federated coresets and federate optimal transport dataset distance, that we respectively exploit for building a novel federated model and for boosting performance of popular federated learning algorithms.
Compositional Sketch Search
We present an algorithm for searching image collections using free-hand sketches that describe the appearance and relative positions of multiple objects. Sketch based image retrieval (SBIR) methods predominantly match queries containing a single, dominant object invariant to its position within an image. Our work exploits drawings as a concise and intuitive representation for specifying entire scene compositions. We train a convolutional neural network (CNN) to encode masked visual features from sketched objects, pooling these into a spatial descriptor encoding the spatial relationships and appearances of objects in the composition. Training the CNN backbone as a Siamese network under triplet loss yields a metric search embedding for measuring compositional similarity which may be efficiently leveraged for visual search by applying product quantization.
Iterative SE(3)-Transformers
When manipulating three-dimensional data, it is possible to ensure that rotational and translational symmetries are respected by applying so-called SE(3)-equivariant models. Protein structure prediction is a prominent example of a task which displays these symmetries. Recent work in this area has successfully made use of an SE(3)-equivariant model, applying an iterative SE(3)-equivariant attention mechanism. Motivated by this application, we implement an iterative version of the SE(3)-Transformer, an SE(3)-equivariant attention-based model for graph data. We address the additional complications which arise when applying the SE(3)-Transformer in an iterative fashion, compare the iterative and single-pass versions on a toy problem, and consider why an iterative model may be beneficial in some problem settings. We make the code for our implementation available to the community.
Learning to Infer and Execute 3D Shape Programs
Human perception of 3D shapes goes beyond reconstructing them as a set of points or a composition of geometric primitives: we also effortlessly understand higher-level shape structure such as the repetition and reflective symmetry of object parts. In contrast, recent advances in 3D shape sensing focus more on low-level geometry but less on these higher-level relationships. In this paper, we propose 3D shape programs, integrating bottom-up recognition systems with top-down, symbolic program structure to capture both low-level geometry and high-level structural priors for 3D shapes. Because there are no annotations of shape programs for real shapes, we develop neural modules that not only learn to infer 3D shape programs from raw, unannotated shapes, but also to execute these programs for shape reconstruction. After initial bootstrapping, our end-to-end differentiable model learns 3D shape programs by reconstructing shapes in a self-supervised manner. Experiments demonstrate that our model accurately infers and executes 3D shape programs for highly complex shapes from various categories. It can also be integrated with an image-to-shape module to infer 3D shape programs directly from an RGB image, leading to 3D shape reconstructions that are both more accurate and more physically plausible.
Dynamic Hyperbolic Attention Network for Fine Hand-object Reconstruction
Reconstructing both objects and hands in 3D from a single RGB image is complex. Existing methods rely on manually defined hand-object constraints in Euclidean space, leading to suboptimal feature learning. Compared with Euclidean space, hyperbolic space better preserves the geometric properties of meshes thanks to its exponentially-growing space distance, which amplifies the differences between the features based on similarity. In this work, we propose the first precise hand-object reconstruction method in hyperbolic space, namely Dynamic Hyperbolic Attention Network (DHANet), which leverages intrinsic properties of hyperbolic space to learn representative features. Our method that projects mesh and image features into a unified hyperbolic space includes two modules, ie. dynamic hyperbolic graph convolution and image-attention hyperbolic graph convolution. With these two modules, our method learns mesh features with rich geometry-image multi-modal information and models better hand-object interaction. Our method provides a promising alternative for fine hand-object reconstruction in hyperbolic space. Extensive experiments on three public datasets demonstrate that our method outperforms most state-of-the-art methods.
ReLU Characteristic Activation Analysis
We introduce a novel approach for analyzing the training dynamics of ReLU networks by examining the characteristic activation boundaries of individual ReLU neurons. Our proposed analysis reveals a critical instability in common neural network parameterizations and normalizations during stochastic optimization, which impedes fast convergence and hurts generalization performance. Addressing this, we propose Geometric Parameterization (GmP), a novel neural network parameterization technique that effectively separates the radial and angular components of weights in the hyperspherical coordinate system. We show theoretically that GmP resolves the aforementioned instability issue. We report empirical results on various models and benchmarks to verify GmP's theoretical advantages of optimization stability, convergence speed and generalization performance.
Mechanistic Mode Connectivity
We study neural network loss landscapes through the lens of mode connectivity, the observation that minimizers of neural networks retrieved via training on a dataset are connected via simple paths of low loss. Specifically, we ask the following question: are minimizers that rely on different mechanisms for making their predictions connected via simple paths of low loss? We provide a definition of mechanistic similarity as shared invariances to input transformations and demonstrate that lack of linear connectivity between two models implies they use dissimilar mechanisms for making their predictions. Relevant to practice, this result helps us demonstrate that naive fine-tuning on a downstream dataset can fail to alter a model's mechanisms, e.g., fine-tuning can fail to eliminate a model's reliance on spurious attributes. Our analysis also motivates a method for targeted alteration of a model's mechanisms, named connectivity-based fine-tuning (CBFT), which we analyze using several synthetic datasets for the task of reducing a model's reliance on spurious attributes.
3DRegNet: A Deep Neural Network for 3D Point Registration
We present 3DRegNet, a novel deep learning architecture for the registration of 3D scans. Given a set of 3D point correspondences, we build a deep neural network to address the following two challenges: (i) classification of the point correspondences into inliers/outliers, and (ii) regression of the motion parameters that align the scans into a common reference frame. With regard to regression, we present two alternative approaches: (i) a Deep Neural Network (DNN) registration and (ii) a Procrustes approach using SVD to estimate the transformation. Our correspondence-based approach achieves a higher speedup compared to competing baselines. We further propose the use of a refinement network, which consists of a smaller 3DRegNet as a refinement to improve the accuracy of the registration. Extensive experiments on two challenging datasets demonstrate that we outperform other methods and achieve state-of-the-art results. The code is available.
Geometrically Aligned Transfer Encoder for Inductive Transfer in Regression Tasks
Transfer learning is a crucial technique for handling a small amount of data that is potentially related to other abundant data. However, most of the existing methods are focused on classification tasks using images and language datasets. Therefore, in order to expand the transfer learning scheme to regression tasks, we propose a novel transfer technique based on differential geometry, namely the Geometrically Aligned Transfer Encoder (GATE). In this method, we interpret the latent vectors from the model to exist on a Riemannian curved manifold. We find a proper diffeomorphism between pairs of tasks to ensure that every arbitrary point maps to a locally flat coordinate in the overlapping region, allowing the transfer of knowledge from the source to the target data. This also serves as an effective regularizer for the model to behave in extrapolation regions. In this article, we demonstrate that GATE outperforms conventional methods and exhibits stable behavior in both the latent space and extrapolation regions for various molecular graph datasets.
An elasticity-based mesh morphing technique with application to reduced-order modeling
The aim of this article is to introduce a new methodology for constructing morphings between shapes that have identical topology. This morphing is obtained by deforming a reference shape, through the resolution of a sequence of linear elasticity equations, onto the target shape. In particular, our approach does not assume any knowledge of a boundary parametrization. Furthermore, we demonstrate how constraints can be imposed on specific points, lines and surfaces in the reference domain to ensure alignment with their counterparts in the target domain after morphing. Additionally, we show how the proposed methodology can be integrated in an offline and online paradigm, which is useful in reduced-order modeling scenarii involving variable shapes. This framework facilitates the efficient computation of the morphings in various geometric configurations, thus improving the versatility and applicability of the approach. The methodology is illustrated on the regression problem of the drag and lift coefficients of airfoils of non-parameterized variable shapes.
CVRecon: Rethinking 3D Geometric Feature Learning For Neural Reconstruction
Recent advances in neural reconstruction using posed image sequences have made remarkable progress. However, due to the lack of depth information, existing volumetric-based techniques simply duplicate 2D image features of the object surface along the entire camera ray. We contend this duplication introduces noise in empty and occluded spaces, posing challenges for producing high-quality 3D geometry. Drawing inspiration from traditional multi-view stereo methods, we propose an end-to-end 3D neural reconstruction framework CVRecon, designed to exploit the rich geometric embedding in the cost volumes to facilitate 3D geometric feature learning. Furthermore, we present Ray-contextual Compensated Cost Volume (RCCV), a novel 3D geometric feature representation that encodes view-dependent information with improved integrity and robustness. Through comprehensive experiments, we demonstrate that our approach significantly improves the reconstruction quality in various metrics and recovers clear fine details of the 3D geometries. Our extensive ablation studies provide insights into the development of effective 3D geometric feature learning schemes. Project page: https://cvrecon.ziyue.cool/
A catalogue of complex radio sources in the Rapid ASKAP Continuum Survey created using a Self-Organising Map
Next generations of radio surveys are expected to identify tens of millions of new sources, and identifying and classifying their morphologies will require novel and more efficient methods. Self-Organising Maps (SOMs), a type of unsupervised machine learning, can be used to address this problem. We map 251,259 multi-Gaussian sources from Rapid ASKAP Continuum Survey (RACS) onto a SOM with discrete neurons. Similarity metrics, such as Euclidean distances, can be used to identify the best-matching neuron or unit (BMU) for each input image. We establish a reliability threshold by visually inspecting a subset of input images and their corresponding BMU. We label the individual neurons based on observed morphologies and these labels are included in our value-added catalogue of RACS sources. Sources for which the Euclidean distance to their BMU is lesssim 5 (accounting for approximately 79% of sources) have an estimated >90% reliability for their SOM-derived morphological labels. This reliability falls to less than 70% at Euclidean distances gtrsim 7. Beyond this threshold it is unlikely that the morphological label will accurately describe a given source. Our catalogue of complex radio sources from RACS with their SOM-derived morphological labels from this work will be made publicly available.
On κ-solutions and canonical neighborhoods in 4d Ricci flow
We introduce a classification conjecture for kappa-solutions in 4d Ricci flow. Our conjectured list includes known examples from the literature, but also a new 1-parameter family of Z_2^2times O_3-symmetric bubble-sheet ovals that we construct. We observe that some special cases of the conjecture follow from recent results in the literature. We also introduce a stronger variant of the classification conjecture for ancient asymptotically cylindrical 4d Ricci flows, which does not assume smoothness and nonnegative curvature operator a priori. Assuming this stronger variant holds true, we establish a canonical neighborhood theorem for 4d Ricci flow through cylindrical singularities, which shares some elements in common with Perelman's canonical neighborhood theorem for 3d Ricci flow as well as the mean-convex neighborhood theorem for mean curvature flow through neck-singularities. Finally, we argue that quotient-necks lead to new phenomena, and sketch an example of non-uniqueness for 4d Ricci flow through singularities.
Stable Vectorization of Multiparameter Persistent Homology using Signed Barcodes as Measures
Persistent homology (PH) provides topological descriptors for geometric data, such as weighted graphs, which are interpretable, stable to perturbations, and invariant under, e.g., relabeling. Most applications of PH focus on the one-parameter case -- where the descriptors summarize the changes in topology of data as it is filtered by a single quantity of interest -- and there is now a wide array of methods enabling the use of one-parameter PH descriptors in data science, which rely on the stable vectorization of these descriptors as elements of a Hilbert space. Although the multiparameter PH (MPH) of data that is filtered by several quantities of interest encodes much richer information than its one-parameter counterpart, the scarceness of stability results for MPH descriptors has so far limited the available options for the stable vectorization of MPH. In this paper, we aim to bring together the best of both worlds by showing how the interpretation of signed barcodes -- a recent family of MPH descriptors -- as signed measures leads to natural extensions of vectorization strategies from one parameter to multiple parameters. The resulting feature vectors are easy to define and to compute, and provably stable. While, as a proof of concept, we focus on simple choices of signed barcodes and vectorizations, we already see notable performance improvements when comparing our feature vectors to state-of-the-art topology-based methods on various types of data.
LFGCN: Levitating over Graphs with Levy Flights
Due to high utility in many applications, from social networks to blockchain to power grids, deep learning on non-Euclidean objects such as graphs and manifolds, coined Geometric Deep Learning (GDL), continues to gain an ever increasing interest. We propose a new L\'evy Flights Graph Convolutional Networks (LFGCN) method for semi-supervised learning, which casts the L\'evy Flights into random walks on graphs and, as a result, allows both to accurately account for the intrinsic graph topology and to substantially improve classification performance, especially for heterogeneous graphs. Furthermore, we propose a new preferential P-DropEdge method based on the Girvan-Newman argument. That is, in contrast to uniform removing of edges as in DropEdge, following the Girvan-Newman algorithm, we detect network periphery structures using information on edge betweenness and then remove edges according to their betweenness centrality. Our experimental results on semi-supervised node classification tasks demonstrate that the LFGCN coupled with P-DropEdge accelerates the training task, increases stability and further improves predictive accuracy of learned graph topology structure. Finally, in our case studies we bring the machinery of LFGCN and other deep networks tools to analysis of power grid networks - the area where the utility of GDL remains untapped.
Text-to-3D using Gaussian Splatting
In this paper, we present Gaussian Splatting based text-to-3D generation (GSGEN), a novel approach for generating high-quality 3D objects. Previous methods suffer from inaccurate geometry and limited fidelity due to the absence of 3D prior and proper representation. We leverage 3D Gaussian Splatting, a recent state-of-the-art representation, to address existing shortcomings by exploiting the explicit nature that enables the incorporation of 3D prior. Specifically, our method adopts a progressive optimization strategy, which includes a geometry optimization stage and an appearance refinement stage. In geometry optimization, a coarse representation is established under a 3D geometry prior along with the ordinary 2D SDS loss, ensuring a sensible and 3D-consistent rough shape. Subsequently, the obtained Gaussians undergo an iterative refinement to enrich details. In this stage, we increase the number of Gaussians by compactness-based densification to enhance continuity and improve fidelity. With these designs, our approach can generate 3D content with delicate details and more accurate geometry. Extensive evaluations demonstrate the effectiveness of our method, especially for capturing high-frequency components. Video results are provided at https://gsgen3d.github.io. Our code is available at https://github.com/gsgen3d/gsgen
Symphony: Symmetry-Equivariant Point-Centered Spherical Harmonics for Molecule Generation
We present Symphony, an E(3)-equivariant autoregressive generative model for 3D molecular geometries that iteratively builds a molecule from molecular fragments. Existing autoregressive models such as G-SchNet and G-SphereNet for molecules utilize rotationally invariant features to respect the 3D symmetries of molecules. In contrast, Symphony uses message-passing with higher-degree E(3)-equivariant features. This allows a novel representation of probability distributions via spherical harmonic signals to efficiently model the 3D geometry of molecules. We show that Symphony is able to accurately generate small molecules from the QM9 dataset, outperforming existing autoregressive models and approaching the performance of diffusion models.
Multimarginal generative modeling with stochastic interpolants
Given a set of K probability densities, we consider the multimarginal generative modeling problem of learning a joint distribution that recovers these densities as marginals. The structure of this joint distribution should identify multi-way correspondences among the prescribed marginals. We formalize an approach to this task within a generalization of the stochastic interpolant framework, leading to efficient learning algorithms built upon dynamical transport of measure. Our generative models are defined by velocity and score fields that can be characterized as the minimizers of simple quadratic objectives, and they are defined on a simplex that generalizes the time variable in the usual dynamical transport framework. The resulting transport on the simplex is influenced by all marginals, and we show that multi-way correspondences can be extracted. The identification of such correspondences has applications to style transfer, algorithmic fairness, and data decorruption. In addition, the multimarginal perspective enables an efficient algorithm for reducing the dynamical transport cost in the ordinary two-marginal setting. We demonstrate these capacities with several numerical examples.
Similarity search in the blink of an eye with compressed indices
Nowadays, data is represented by vectors. Retrieving those vectors, among millions and billions, that are similar to a given query is a ubiquitous problem, known as similarity search, of relevance for a wide range of applications. Graph-based indices are currently the best performing techniques for billion-scale similarity search. However, their random-access memory pattern presents challenges to realize their full potential. In this work, we present new techniques and systems for creating faster and smaller graph-based indices. To this end, we introduce a novel vector compression method, Locally-adaptive Vector Quantization (LVQ), that uses per-vector scaling and scalar quantization to improve search performance with fast similarity computations and a reduced effective bandwidth, while decreasing memory footprint and barely impacting accuracy. LVQ, when combined with a new high-performance computing system for graph-based similarity search, establishes the new state of the art in terms of performance and memory footprint. For billions of vectors, LVQ outcompetes the second-best alternatives: (1) in the low-memory regime, by up to 20.7x in throughput with up to a 3x memory footprint reduction, and (2) in the high-throughput regime by 5.8x with 1.4x less memory.
Group equivariant neural posterior estimation
Simulation-based inference with conditional neural density estimators is a powerful approach to solving inverse problems in science. However, these methods typically treat the underlying forward model as a black box, with no way to exploit geometric properties such as equivariances. Equivariances are common in scientific models, however integrating them directly into expressive inference networks (such as normalizing flows) is not straightforward. We here describe an alternative method to incorporate equivariances under joint transformations of parameters and data. Our method -- called group equivariant neural posterior estimation (GNPE) -- is based on self-consistently standardizing the "pose" of the data while estimating the posterior over parameters. It is architecture-independent, and applies both to exact and approximate equivariances. As a real-world application, we use GNPE for amortized inference of astrophysical binary black hole systems from gravitational-wave observations. We show that GNPE achieves state-of-the-art accuracy while reducing inference times by three orders of magnitude.
Holistic Geometric Feature Learning for Structured Reconstruction
The inference of topological principles is a key problem in structured reconstruction. We observe that wrongly predicted topological relationships are often incurred by the lack of holistic geometry clues in low-level features. Inspired by the fact that massive signals can be compactly described with frequency analysis, we experimentally explore the efficiency and tendency of learning structure geometry in the frequency domain. Accordingly, we propose a frequency-domain feature learning strategy (F-Learn) to fuse scattered geometric fragments holistically for topology-intact structure reasoning. Benefiting from the parsimonious design, the F-Learn strategy can be easily deployed into a deep reconstructor with a lightweight model modification. Experiments demonstrate that the F-Learn strategy can effectively introduce structure awareness into geometric primitive detection and topology inference, bringing significant performance improvement to final structured reconstruction. Code and pre-trained models are available at https://github.com/Geo-Tell/F-Learn.
Physically Embodied Gaussian Splatting: A Realtime Correctable World Model for Robotics
For robots to robustly understand and interact with the physical world, it is highly beneficial to have a comprehensive representation - modelling geometry, physics, and visual observations - that informs perception, planning, and control algorithms. We propose a novel dual Gaussian-Particle representation that models the physical world while (i) enabling predictive simulation of future states and (ii) allowing online correction from visual observations in a dynamic world. Our representation comprises particles that capture the geometrical aspect of objects in the world and can be used alongside a particle-based physics system to anticipate physically plausible future states. Attached to these particles are 3D Gaussians that render images from any viewpoint through a splatting process thus capturing the visual state. By comparing the predicted and observed images, our approach generates visual forces that correct the particle positions while respecting known physical constraints. By integrating predictive physical modelling with continuous visually-derived corrections, our unified representation reasons about the present and future while synchronizing with reality. Our system runs in realtime at 30Hz using only 3 cameras. We validate our approach on 2D and 3D tracking tasks as well as photometric reconstruction quality. Videos are found at https://embodied-gaussians.github.io/.
Statistical Indistinguishability of Learning Algorithms
When two different parties use the same learning rule on their own data, how can we test whether the distributions of the two outcomes are similar? In this paper, we study the similarity of outcomes of learning rules through the lens of the Total Variation (TV) distance of distributions. We say that a learning rule is TV indistinguishable if the expected TV distance between the posterior distributions of its outputs, executed on two training data sets drawn independently from the same distribution, is small. We first investigate the learnability of hypothesis classes using TV indistinguishable learners. Our main results are information-theoretic equivalences between TV indistinguishability and existing algorithmic stability notions such as replicability and approximate differential privacy. Then, we provide statistical amplification and boosting algorithms for TV indistinguishable learners.
You Only Hypothesize Once: Point Cloud Registration with Rotation-equivariant Descriptors
In this paper, we propose a novel local descriptor-based framework, called You Only Hypothesize Once (YOHO), for the registration of two unaligned point clouds. In contrast to most existing local descriptors which rely on a fragile local reference frame to gain rotation invariance, the proposed descriptor achieves the rotation invariance by recent technologies of group equivariant feature learning, which brings more robustness to point density and noise. Meanwhile, the descriptor in YOHO also has a rotation equivariant part, which enables us to estimate the registration from just one correspondence hypothesis. Such property reduces the searching space for feasible transformations, thus greatly improves both the accuracy and the efficiency of YOHO. Extensive experiments show that YOHO achieves superior performances with much fewer needed RANSAC iterations on four widely-used datasets, the 3DMatch/3DLoMatch datasets, the ETH dataset and the WHU-TLS dataset. More details are shown in our project page: https://hpwang-whu.github.io/YOHO/.
Generalized Few-Shot Point Cloud Segmentation Via Geometric Words
Existing fully-supervised point cloud segmentation methods suffer in the dynamic testing environment with emerging new classes. Few-shot point cloud segmentation algorithms address this problem by learning to adapt to new classes at the sacrifice of segmentation accuracy for the base classes, which severely impedes its practicality. This largely motivates us to present the first attempt at a more practical paradigm of generalized few-shot point cloud segmentation, which requires the model to generalize to new categories with only a few support point clouds and simultaneously retain the capability to segment base classes. We propose the geometric words to represent geometric components shared between the base and novel classes, and incorporate them into a novel geometric-aware semantic representation to facilitate better generalization to the new classes without forgetting the old ones. Moreover, we introduce geometric prototypes to guide the segmentation with geometric prior knowledge. Extensive experiments on S3DIS and ScanNet consistently illustrate the superior performance of our method over baseline methods. Our code is available at: https://github.com/Pixie8888/GFS-3DSeg_GWs.
FrozenRecon: Pose-free 3D Scene Reconstruction with Frozen Depth Models
3D scene reconstruction is a long-standing vision task. Existing approaches can be categorized into geometry-based and learning-based methods. The former leverages multi-view geometry but can face catastrophic failures due to the reliance on accurate pixel correspondence across views. The latter was proffered to mitigate these issues by learning 2D or 3D representation directly. However, without a large-scale video or 3D training data, it can hardly generalize to diverse real-world scenarios due to the presence of tens of millions or even billions of optimization parameters in the deep network. Recently, robust monocular depth estimation models trained with large-scale datasets have been proven to possess weak 3D geometry prior, but they are insufficient for reconstruction due to the unknown camera parameters, the affine-invariant property, and inter-frame inconsistency. Here, we propose a novel test-time optimization approach that can transfer the robustness of affine-invariant depth models such as LeReS to challenging diverse scenes while ensuring inter-frame consistency, with only dozens of parameters to optimize per video frame. Specifically, our approach involves freezing the pre-trained affine-invariant depth model's depth predictions, rectifying them by optimizing the unknown scale-shift values with a geometric consistency alignment module, and employing the resulting scale-consistent depth maps to robustly obtain camera poses and achieve dense scene reconstruction, even in low-texture regions. Experiments show that our method achieves state-of-the-art cross-dataset reconstruction on five zero-shot testing datasets.
Graph Metanetworks for Processing Diverse Neural Architectures
Neural networks efficiently encode learned information within their parameters. Consequently, many tasks can be unified by treating neural networks themselves as input data. When doing so, recent studies demonstrated the importance of accounting for the symmetries and geometry of parameter spaces. However, those works developed architectures tailored to specific networks such as MLPs and CNNs without normalization layers, and generalizing such architectures to other types of networks can be challenging. In this work, we overcome these challenges by building new metanetworks - neural networks that take weights from other neural networks as input. Put simply, we carefully build graphs representing the input neural networks and process the graphs using graph neural networks. Our approach, Graph Metanetworks (GMNs), generalizes to neural architectures where competing methods struggle, such as multi-head attention layers, normalization layers, convolutional layers, ResNet blocks, and group-equivariant linear layers. We prove that GMNs are expressive and equivariant to parameter permutation symmetries that leave the input neural network functions unchanged. We validate the effectiveness of our method on several metanetwork tasks over diverse neural network architectures.
GriSPy: A Python package for Fixed-Radius Nearest Neighbors Search
We present a new regular grid search algorithm for quick fixed-radius nearest-neighbor lookup developed in Python. This module indexes a set of k-dimensional points in a regular grid, with optional periodic conditions, providing a fast approach for nearest neighbors queries. In this first installment we provide three types of queries: bubble, shell and the nth-nearest; as well as three different metrics of interest in astronomy: the euclidean and two distance functions in spherical coordinates of varying precision, haversine and Vincenty; and the possibility of providing a custom distance function. This package results particularly useful for large datasets where a brute-force search turns impractical.
Efficiently Computing Similarities to Private Datasets
Many methods in differentially private model training rely on computing the similarity between a query point (such as public or synthetic data) and private data. We abstract out this common subroutine and study the following fundamental algorithmic problem: Given a similarity function f and a large high-dimensional private dataset X subset R^d, output a differentially private (DP) data structure which approximates sum_{x in X} f(x,y) for any query y. We consider the cases where f is a kernel function, such as f(x,y) = e^{-|x-y|_2^2/sigma^2} (also known as DP kernel density estimation), or a distance function such as f(x,y) = |x-y|_2, among others. Our theoretical results improve upon prior work and give better privacy-utility trade-offs as well as faster query times for a wide range of kernels and distance functions. The unifying approach behind our results is leveraging `low-dimensional structures' present in the specific functions f that we study, using tools such as provable dimensionality reduction, approximation theory, and one-dimensional decomposition of the functions. Our algorithms empirically exhibit improved query times and accuracy over prior state of the art. We also present an application to DP classification. Our experiments demonstrate that the simple methodology of classifying based on average similarity is orders of magnitude faster than prior DP-SGD based approaches for comparable accuracy.
Sampling with Mirrored Stein Operators
We introduce a new family of particle evolution samplers suitable for constrained domains and non-Euclidean geometries. Stein Variational Mirror Descent and Mirrored Stein Variational Gradient Descent minimize the Kullback-Leibler (KL) divergence to constrained target distributions by evolving particles in a dual space defined by a mirror map. Stein Variational Natural Gradient exploits non-Euclidean geometry to more efficiently minimize the KL divergence to unconstrained targets. We derive these samplers from a new class of mirrored Stein operators and adaptive kernels developed in this work. We demonstrate that these new samplers yield accurate approximations to distributions on the simplex, deliver valid confidence intervals in post-selection inference, and converge more rapidly than prior methods in large-scale unconstrained posterior inference. Finally, we establish the convergence of our new procedures under verifiable conditions on the target distribution.
SAGA: Spectral Adversarial Geometric Attack on 3D Meshes
A triangular mesh is one of the most popular 3D data representations. As such, the deployment of deep neural networks for mesh processing is widely spread and is increasingly attracting more attention. However, neural networks are prone to adversarial attacks, where carefully crafted inputs impair the model's functionality. The need to explore these vulnerabilities is a fundamental factor in the future development of 3D-based applications. Recently, mesh attacks were studied on the semantic level, where classifiers are misled to produce wrong predictions. Nevertheless, mesh surfaces possess complex geometric attributes beyond their semantic meaning, and their analysis often includes the need to encode and reconstruct the geometry of the shape. We propose a novel framework for a geometric adversarial attack on a 3D mesh autoencoder. In this setting, an adversarial input mesh deceives the autoencoder by forcing it to reconstruct a different geometric shape at its output. The malicious input is produced by perturbing a clean shape in the spectral domain. Our method leverages the spectral decomposition of the mesh along with additional mesh-related properties to obtain visually credible results that consider the delicacy of surface distortions. Our code is publicly available at https://github.com/StolikTomer/SAGA.
LIST: Learning Implicitly from Spatial Transformers for Single-View 3D Reconstruction
Accurate reconstruction of both the geometric and topological details of a 3D object from a single 2D image embodies a fundamental challenge in computer vision. Existing explicit/implicit solutions to this problem struggle to recover self-occluded geometry and/or faithfully reconstruct topological shape structures. To resolve this dilemma, we introduce LIST, a novel neural architecture that leverages local and global image features to accurately reconstruct the geometric and topological structure of a 3D object from a single image. We utilize global 2D features to predict a coarse shape of the target object and then use it as a base for higher-resolution reconstruction. By leveraging both local 2D features from the image and 3D features from the coarse prediction, we can predict the signed distance between an arbitrary point and the target surface via an implicit predictor with great accuracy. Furthermore, our model does not require camera estimation or pixel alignment. It provides an uninfluenced reconstruction from the input-view direction. Through qualitative and quantitative analysis, we show the superiority of our model in reconstructing 3D objects from both synthetic and real-world images against the state of the art.
MeshSDF: Differentiable Iso-Surface Extraction
Geometric Deep Learning has recently made striking progress with the advent of continuous Deep Implicit Fields. They allow for detailed modeling of watertight surfaces of arbitrary topology while not relying on a 3D Euclidean grid, resulting in a learnable parameterization that is not limited in resolution. Unfortunately, these methods are often not suitable for applications that require an explicit mesh-based surface representation because converting an implicit field to such a representation relies on the Marching Cubes algorithm, which cannot be differentiated with respect to the underlying implicit field. In this work, we remove this limitation and introduce a differentiable way to produce explicit surface mesh representations from Deep Signed Distance Functions. Our key insight is that by reasoning on how implicit field perturbations impact local surface geometry, one can ultimately differentiate the 3D location of surface samples with respect to the underlying deep implicit field. We exploit this to define MeshSDF, an end-to-end differentiable mesh representation which can vary its topology. We use two different applications to validate our theoretical insight: Single-View Reconstruction via Differentiable Rendering and Physically-Driven Shape Optimization. In both cases our differentiable parameterization gives us an edge over state-of-the-art algorithms.
Toon3D: Seeing Cartoons from a New Perspective
In this work, we recover the underlying 3D structure of non-geometrically consistent scenes. We focus our analysis on hand-drawn images from cartoons and anime. Many cartoons are created by artists without a 3D rendering engine, which means that any new image of a scene is hand-drawn. The hand-drawn images are usually faithful representations of the world, but only in a qualitative sense, since it is difficult for humans to draw multiple perspectives of an object or scene 3D consistently. Nevertheless, people can easily perceive 3D scenes from inconsistent inputs! In this work, we correct for 2D drawing inconsistencies to recover a plausible 3D structure such that the newly warped drawings are consistent with each other. Our pipeline consists of a user-friendly annotation tool, camera pose estimation, and image deformation to recover a dense structure. Our method warps images to obey a perspective camera model, enabling our aligned results to be plugged into novel-view synthesis reconstruction methods to experience cartoons from viewpoints never drawn before. Our project page is https://toon3d.studio/.