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Efficient Leverage Score Sampling for Tensor Train Decomposition

Neural Information Processing Systems

Tensor Train~(TT) decomposition is widely used in the machine learning and quantum physics communities as a popular tool to efficiently compress high-dimensional tensor data. In this paper, we propose an efficient algorithm to accelerate computing the TT decomposition with the Alternating Least Squares (ALS) algorithm relying on exact leverage scores sampling. For this purpose, we propose a data structure that allows us to efficiently sample from the tensor with time complexity logarithmic in the product of the tensor dimensions.


A Canonicalization Perspective on Invariant and Equivariant Learning

Neural Information Processing Systems

In many applications, we desire neural networks to exhibit invariance or equivariance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames. In this work, we introduce a canonicalization perspective that provides an essential and complete view of the design of frames. Canonicalization is a classic approach for attaining invariance by mapping inputs to their canonical forms. We show that there exists an inherent connection between frames and canonical forms. Leveraging this connection, we can efficiently compare the complexity of frames as well as determine the optimality of certain frames. Guided by this principle, we design novel frames for eigenvectors that are strictly superior to existing methods --- some are even optimal --- both theoretically and empirically.



Autoconj: Recognizing and Exploiting Conjugacy Without a Domain-Specific Language

Matthew D. Hoffman

Neural Information Processing Systems

Deriving conditional and marginal distributions using conjugacy relationships can be time consuming and error prone. In this paper, we propose a strategy for automating such derivations. Unlike previous systems which focus on relationships between pairs of random variables, our system (which we call Autoconj) operates directly on Python functions that compute log-joint distribution functions. Autoconj provides support for conjugacy-exploiting algorithms in any Python-embedded PPL. This paves the way for accelerating development of novel inference algorithms and structure-exploiting modeling strategies.



A Canonicalization Perspective on Invariant and Equivariant Learning George Ma

Neural Information Processing Systems

In many applications, we desire neural networks to exhibit invariance or equivari-ance to certain groups due to symmetries inherent in the data. Recently, frame-averaging methods emerged to be a unified framework for attaining symmetries efficiently by averaging over input-dependent subsets of the group, i.e., frames. What we currently lack is a principled understanding of the design of frames.



Universally Invariant Learning in Equivariant GNNs

Cen, Jiacheng, Li, Anyi, Lin, Ning, Xu, Tingyang, Rong, Yu, Zhao, Deli, Wang, Zihe, Huang, Wenbing

arXiv.org Artificial Intelligence

Equivariant Graph Neural Networks (GNNs) have demonstrated significant success across various applications. To achieve completeness -- that is, the universal approximation property over the space of equivariant functions -- the network must effectively capture the intricate multi-body interactions among different nodes. Prior methods attain this via deeper architectures, augmented body orders, or increased degrees of steerable features, often at high computational cost and without polynomial-time solutions. In this work, we present a theoretically grounded framework for constructing complete equivariant GNNs that is both efficient and practical. We prove that a complete equivariant GNN can be achieved through two key components: 1) a complete scalar function, referred to as the canonical form of the geometric graph; and 2) a full-rank steerable basis set. Leveraging this finding, we propose an efficient algorithm for constructing complete equivariant GNNs based on two common models: EGNN and TFN. Empirical results demonstrate that our model demonstrates superior completeness and excellent performance with only a few layers, thereby significantly reducing computational overhead while maintaining strong practical efficacy.