Frame Averaging for Equivariant Shape Space Learning

The task of shape space learning involves mapping a train set of shapes to and from a latent representation space with good generalization properties. Often, real-world collections of shapes have symmetries, which can be defined as transformations that do not change the essence of the shape. A natural way to incorporate symmetries in shape space learning is to ask that the mapping to the shape space (encoder) and mapping from the shape space (decoder) are equivariant to the relevant symmetries. In this paper, we present a framework for incorporating equivariance in encoders and decoders by introducing two contributions: (i) adapting the recent Frame Averaging (FA) framework for building generic, efficient, and maximally expressive Equivariant autoencoders; and (ii) constructing autoencoders equivariant to piecewise Euclidean motions applied to different parts of the shape. To the best of our knowledge, this is the first fully piecewise Euclidean equivariant autoencoder construction. Training our framework is simple: it uses standard reconstruction losses and does not require the introduction of new losses. Our architectures are built of standard (backbone) architectures with the appropriate frame averaging to make them equivariant. Testing our framework on both rigid shapes dataset using implicit neural representations, and articulated shape datasets using mesh-based neural networks show state-of-the-art generalization to unseen test shapes, improving relevant baselines by a large margin. In particular, our method demonstrates significant improvement in generalizing to unseen articulated poses.

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.

Augmenting Implicit Neural Shape Representations with Explicit Deformation Fields

Implicit neural representation is a recent approach to learn shape collections as zero level-sets of neural networks, where each shape is represented by a latent code. So far, the focus has been shape reconstruction, while shape generalization was mostly left to generic encoder-decoder or auto-decoder regularization. In this paper we advocate deformation-aware regularization for implicit neural representations, aiming at producing plausible deformations as latent code changes. The challenge is that implicit representations do not capture correspondences between different shapes, which makes it difficult to represent and regularize their deformations. Thus, we propose to pair the implicit representation of the shapes with an explicit, piecewise linear deformation field, learned as an auxiliary function. We demonstrate that, by regularizing these deformation fields, we can encourage the implicit neural representation to induce natural deformations in the learned shape space, such as as-rigid-as-possible deformations.

Moser Flow: Divergence-based Generative Modeling on Manifolds

We are interested in learning generative models for complex geometries described via manifolds, such as spheres, tori, and other implicit surfaces. Current extensions of existing (Euclidean) generative models are restricted to specific geometries and typically suffer from high computational costs. We introduce Moser Flow (MF), a new class of generative models within the family of continuous normalizing flows (CNF). MF also produces a CNF via a solution to the change-of-variable formula, however differently from other CNF methods, its model (learned) density is parameterized as the source (prior) density minus the divergence of a neural network (NN). The divergence is a local, linear differential operator, easy to approximate and calculate on manifolds. Therefore, unlike other CNFs, MF does not require invoking or backpropagating through an ODE solver during training. Furthermore, representing the model density explicitly as the divergence of a NN rather than as a solution of an ODE facilitates learning high fidelity densities. Theoretically, we prove that MF constitutes a universal density approximator under suitable assumptions. Empirically, we demonstrate for the first time the use of flow models for sampling from general curved surfaces and achieve significant improvements in density estimation, sample quality, and training complexity over existing CNFs on challenging synthetic geometries and real-world benchmarks from the earth and climate sciences.

Volume Rendering of Neural Implicit Surfaces

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

Riemannian Convex Potential Maps

Modeling distributions on Riemannian manifolds is a crucial component in understanding non-Euclidean data that arises, e.g., in physics and geology. The budding approaches in this space are limited by representational and computational tradeoffs. We propose and study a class of flows that uses convex potentials from Riemannian optimal transport. These are universal and can model distributions on any compact Riemannian manifold without requiring domain knowledge of the manifold to be integrated into the architecture. We demonstrate that these flows can model standard distributions on spheres, and tori, on synthetic and geological data. Our source code is freely available online at http://github.com/facebookresearch/rcpm

Phase Transitions, Distance Functions, and Implicit Neural Representations

Representing surfaces as zero level sets of neural networks recently emerged as a powerful modeling paradigm, named Implicit Neural Representations (INRs), serving numerous downstream applications in geometric deep learning and 3D vision. Training INRs previously required choosing between occupancy and distance function representation and different losses with unknown limit behavior and/or bias. In this paper we draw inspiration from the theory of phase transitions of fluids and suggest a loss for training INRs that learns a density function that converges to a proper occupancy function, while its log transform converges to a distance function. Furthermore, we analyze the limit minimizer of this loss showing it satisfies the reconstruction constraints and has minimal surface perimeter, a desirable inductive bias for surface reconstruction. Training INRs with this new loss leads to state-of-the-art reconstructions on a standard benchmark.

Isometric Autoencoders

High dimensional data is often assumed to be concentrated near a low-dimensional manifold. Autoencoders (AE) is a popular technique to learn representations of such data by pushing it through a neural network with a low dimension bottleneck while minimizing a reconstruction error. Using high capacity AE often leads to a large collection of minimizers, many of which represent a low dimensional manifold that fits the data well but generalizes poorly. Two sources of bad generalization are: extrinsic, where the learned manifold possesses extraneous parts that are far from the data; and intrinsic, where the encoder and decoder introduce arbitrary distortion in the low dimensional parameterization. An approach taken to alleviate these issues is to add a regularizer that favors a particular solution; common regularizers promote sparsity, small derivatives, or robustness to noise. In this paper, we advocate an isometry (ie, distance preserving) regularizer. Specifically, our regularizer encourages: (i) the decoder to be an isometry; and (ii) the encoder to be a pseudo-isometry, where pseudo-isometry is an extension of an isometry with an orthogonal projection operator. In a nutshell, (i) preserves all geometric properties of the data such as volume, length, angle, and probability density. It fixes the intrinsic degree of freedom since any two isometric decoders to the same manifold will differ by a rigid motion. (ii) Addresses the extrinsic degree of freedom by minimizing derivatives in orthogonal directions to the manifold and hence disfavoring complicated manifold solutions. Experimenting with the isometry regularizer on dimensionality reduction tasks produces useful low-dimensional data representations, while incorporating it in AE models leads to an improved generalization.

From Graph Low-Rank Global Attention to 2-FWL Approximation

Graph Neural Networks (GNNs) are known to have an expressive power bounded by that of the vertex coloring algorithm (Xu et al., 2019a; Morris et al., 2018). However, for rich node features, such a bound does not exist and GNNs can be shown to be universal, namely, have the theoretical ability to approximate arbitrary graph functions. It is well known, however, that expressive power alone does not imply good generalization. In an effort to improve generalization of GNNs we suggest the Low-Rank Global Attention (LRGA) module, taking advantage of the efficiency of low rank matrix-vector multiplication, that improves the algorithmic alignment (Xu et al., 2019b) of GNNs with the 2-folklore Weisfeiler-Lehman (FWL) algorithm; 2-FWL is a graph isomorphism algorithm that is strictly more powerful than vertex coloring. Concretely, we: (i) formulate 2-FWL using polynomial kernels; (ii) show LRGA aligns with this 2-FWL formulation; and (iii) bound the sample complexity of the kernel's feature map when learned with a randomly initialized two-layer MLP. The latter means the generalization error can be made arbitrarily small when training LRGA to learn the 2-FWL algorithm. From a practical point of view, augmenting existing GNN layers with LRGA produces state of the art results on most datasets in a GNN standard benchmark.

SAL++: Sign Agnostic Learning with Derivatives

Learning 3D geometry directly from raw data, such as point clouds, triangle soups, or un-oriented meshes is still a challenging task that feeds many downstream computer vision and graphics applications. In this paper, we introduce SAL++: a method for learning implicit neural representations of shapes directly from such raw data. We build upon the recent sign agnostic learning (SAL) approach and generalize it to include derivative data in a sign agnostic manner. In more detail, given the unsigned distance function to the input raw data, we suggest a novel sign agnostic regression loss, incorporating both pointwise values and gradients of the unsigned distance function. Optimizing this loss leads to a signed implicit function solution, the zero level set of which is a high quality, valid manifold approximation to the input 3D data. We demonstrate the efficacy of SAL++ shape space learning from two challenging datasets: ShapeNet that contains inconsistent orientation and non-manifold meshes, and D-Faust that contains raw 3D scans (triangle soups). On both these datasets, we present state-of-the-art results.