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Multiview Self-Supervised Learning (MSSL) is based on learning invariances with respect to a set of input transformations. However, invariance partially or totally removes transformation-related information from the representations, which might harm performance for specific downstream tasks that require such information. We propose 2D strUctured and EquivarianT representations (coined DUET), which are 2d representations organized in a matrix structure, and equivariant with respect to transformations acting on the input data. DUET representations maintain information about an input transformation, while remaining semantically expressive. Compared to SimCLR (Chen et al., 2020) (unstructured and invariant) and ESSL (Dangovski et al., 2022) (unstructured and equivariant), the structured and equivariant nature of DUET representations enables controlled generation with lower reconstruction error, while controllability is not possible with SimCLR or ESSL. DUET also achieves higher accuracy for several discriminative tasks, and improves transfer learning.

Robotic manipulation, in particular in-hand object manipulation, often requires an accurate estimate of the object's 6D pose. To improve the accuracy of the estimated pose, state-of-the-art approaches in 6D object pose estimation use observational data from one or more modalities, e.g., RGB images, depth, and tactile readings. However, existing approaches make limited use of the underlying geometric structure of the object captured by these modalities, thereby, increasing their reliance on visual features. This results in poor performance when presented with objects that lack such visual features or when visual features are simply occluded. Furthermore, current approaches do not take advantage of the proprioceptive information embedded in the position of the fingers. To address these limitations, in this paper: (1) we introduce a hierarchical graph neural network architecture for combining multimodal (vision and touch) data that allows for a geometrically informed 6D object pose estimation, (2) we introduce a hierarchical message passing operation that flows the information within and across modalities to learn a graph-based object representation, and (3) we introduce a method that accounts for the proprioceptive information for in-hand object representation. We evaluate our model on a diverse subset of objects from the YCB Object and Model Set, and show that our method substantially outperforms existing state-of-the-art work in accuracy and robustness to occlusion. We also deploy our proposed framework on a real robot and qualitatively demonstrate successful transfer to real settings.

We present a new approach to approximate nearest-neighbor queries in fixed dimension under a variety of non-Euclidean distances. We are given a set $S$ of $n$ points in $\mathbb{R}^d$, an approximation parameter $\varepsilon > 0$, and a distance function that satisfies certain smoothness and growth-rate assumptions. The objective is to preprocess $S$ into a data structure so that for any query point $q$ in $\mathbb{R}^d$, it is possible to efficiently report any point of $S$ whose distance from $q$ is within a factor of $1+\varepsilon$ of the actual closest point. Prior to this work, the most efficient data structures for approximate nearest-neighbor searching in spaces of constant dimensionality applied only to the Euclidean metric. This paper overcomes this limitation through a method called convexification. For admissible distance functions, the proposed data structures answer queries in logarithmic time using $O(n \log (1 / \varepsilon) / \varepsilon^{d/2})$ space, nearly matching the best known bounds for the Euclidean metric. These results apply to both convex scaling distance functions (including the Mahalanobis distance and weighted Minkowski metrics) and Bregman divergences (including the Kullback-Leibler divergence and the Itakura-Saito distance).

We propose and analyze an approximate message passing (AMP) algorithm for the matrix tensor product model, which is a generalization of the standard spiked matrix models that allows for multiple types of pairwise observations over a collection of latent variables. A key innovation for this algorithm is a method for optimally weighing and combining multiple estimates in each iteration. Building upon an AMP convergence theorem for non-separable functions, we prove a state evolution for non-separable functions that provides an asymptotically exact description of its performance in the high-dimensional limit. We leverage this state evolution result to provide necessary and sufficient conditions for recovery of the signal of interest. Such conditions depend on the singular values of a linear operator derived from an appropriate generalization of a signal-to-noise ratio for our model. Our results recover as special cases a number of recently proposed methods for contextual models (e.g., covariate assisted clustering) as well as inhomogeneous noise models.

The nature of heterophilous graphs is significantly different with that of homophilous graphs, which causes difficulties in early graph neural network models and suggests aggregations beyond 1-hop neighborhood. In this paper, we develop a new way to implement multi-scale extraction via constructing Haar-type graph framelets with desired properties of permutation equivariance, efficiency, and sparsity, for deep learning tasks on graphs. We further design a graph framelet neural network model PEGFAN (Permutation Equivariant Graph Framelet Augmented Network) based on our constructed graph framelets. The experiments are conducted on a synthetic dataset and 9 benchmark datasets to compare performance with other state-of-the-art models. The result shows that our model can achieve best performance on certain datasets of heterophilous graphs (including the majority of heterophilous datasets with relatively larger sizes and denser connections) and competitive performance on the remaining.

Artificial Intelligence and Machine learning have been widely used in various fields of mathematical computing, physical modeling, computational science, communication science, and stochastic analysis. Approaches based on Deep Artificial Neural Networks (DANN) are very popular in our days. Depending on the learning task, the exact form of DANNs is determined via their multi-layer architecture, activation functions and the so-called loss function. However, for a majority of deep learning approaches based on DANNs, the kernel structure of neural signal processing remains the same, where the node response is encoded as a linear superposition of neural activity, while the non-linearity is triggered by the activation functions. In the current paper, we suggest to analyze the neural signal processing in DANNs from the point of view of homogeneous chaos theory as known from polynomial chaos expansion (PCE). From the PCE perspective, the (linear) response on each node of a DANN could be seen as a $1^{st}$ degree multi-variate polynomial of single neurons from the previous layer, i.e. linear weighted sum of monomials. From this point of view, the conventional DANN structure relies implicitly (but erroneously) on a Gaussian distribution of neural signals. Additionally, this view revels that by design DANNs do not necessarily fulfill any orthogonality or orthonormality condition for a majority of data-driven applications. Therefore, the prevailing handling of neural signals in DANNs could lead to redundant representation as any neural signal could contain some partial information from other neural signals. To tackle that challenge, we suggest to employ the data-driven generalization of PCE theory known as arbitrary polynomial chaos (aPC) to construct a corresponding multi-variate orthonormal representations on each node of a DANN to obtain Deep arbitrary polynomial chaos neural networks.

Graph Neural Networks (GNNs) have been successfully used in many problems involving graph-structured data, achieving state-of-the-art performance. GNNs typically employ a message-passing scheme, in which every node aggregates information from its neighbors using a permutation-invariant aggregation function. Standard well-examined choices such as the mean or sum aggregation functions have limited capabilities, as they are not able to capture interactions among neighbors. In this work, we formalize these interactions using an information-theoretic framework that notably includes synergistic information. Driven by this definition, we introduce the Graph Ordering Attention (GOAT) layer, a novel GNN component that captures interactions between nodes in a neighborhood. This is achieved by learning local node orderings via an attention mechanism and processing the ordered representations using a recurrent neural network aggregator. This design allows us to make use of a permutation-sensitive aggregator while maintaining the permutation-equivariance of the proposed GOAT layer. The GOAT model demonstrates its increased performance in modeling graph metrics that capture complex information, such as the betweenness centrality and the effective size of a node. In practical use-cases, its superior modeling capability is confirmed through its success in several real-world node classification benchmarks.

Many scientific problems require to process data in the form of geometric graphs. Unlike generic graph data, geometric graphs exhibit symmetries of translations, rotations, and/or reflections. Researchers have leveraged such inductive bias and developed geometrically equivariant Graph Neural Networks (GNNs) to better characterize the geometry and topology of geometric graphs. Despite fruitful achievements, it still lacks a survey to depict how equivariant GNNs are progressed, which in turn hinders the further development of equivariant GNNs. To this end, based on the necessary but concise mathematical preliminaries, we analyze and classify existing methods into three groups regarding how the message passing and aggregation in GNNs are represented. We also summarize the benchmarks as well as the related datasets to facilitate later researches for methodology development and experimental evaluation. The prospect for future potential directions is also provided.

Learning node embeddings that capture a node's position within the broader graph structure is crucial for many prediction tasks on graphs. However, existing Graph Neural Network (GNN) architectures have limited power in capturing the position/location of a given node with respect to all other nodes of the graph. Here we propose Position-aware Graph Neural Networks (P-GNNs), a new class of GNNs for computing position-aware node embeddings. P-GNN first samples sets of anchor nodes, computes the distance of a given target node to each anchor-set,and then learns a non-linear distance-weighted aggregation scheme over the anchor-sets. This way P-GNNs can capture positions/locations of nodes with respect to the anchor nodes. P-GNNs have several advantages: they are inductive, scalable,and can incorporate node feature information. We apply P-GNNs to multiple prediction tasks including link prediction and community detection. We show that P-GNNs consistently outperform state of the art GNNs, with up to 66% improvement in terms of the ROC AUC score.

Graph Neural Networks (GNNs) for representation learning of graphs broadly follow a neighborhood aggregation framework, where the representation vector of a node is computed by recursively aggregating and transforming feature vectors of its neighboring nodes. Many GNN variants have been proposed and have achieved state-of-the-art results on both node and graph classification tasks. However, despite GNNs revolutionizing graph representation learning, there is limited understanding of their representational properties and limitations. Here, we present a theoretical framework for analyzing the expressive power of GNNs in capturing different graph structures. Our results characterize the discriminative power of popular GNN variants, such as Graph Convolutional Networks and GraphSAGE, and show that they cannot learn to distinguish certain simple graph structures. We then develop a simple architecture that is provably the most expressive among the class of GNNs and is as powerful as the Weisfeiler-Lehman graph isomorphism test. We empirically validate our theoretical findings on a number of graph classification benchmarks, and demonstrate that our model achieves state-of-the-art performance.