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1. Approximately equivariant graph networks

   Huang, Ningyuan; Levie, Ron; Villar, Soledad (May 2024, NeurIPS)

   Oh, A; Naumann, T; Globerson, A; Saenko, K; Hardt, M; Levine, S (Ed.)

   Graph neural networks (GNNs) are commonly described as being permutation equivariant with respect to node relabeling in the graph. This symmetry of GNNs is often compared to the translation equivariance of Euclidean convolution neural networks (CNNs). However, these two symmetries are fundamentally different: The translation equivariance of CNNs corresponds to symmetries of the fixed domain acting on the image signals (sometimes known as active symmetries), whereas in GNNs any permutation acts on both the graph signals and the graph domain (sometimes described as passive symmetries). In this work, we focus on the active symmetries of GNNs, by considering a learning setting where signals are supported on a fixed graph. In this case, the natural symmetries of GNNs are the automorphisms of the graph. Since real-world graphs tend to be asymmetric, we relax the notion of symmetries by formalizing approximate symmetries via graph coarsening. We present a bias-variance formula that quantifies the tradeoff between the loss in expressivity and the gain in the regularity of the learned estimator, depending on the chosen symmetry group. To illustrate our approach, we conduct extensive experiments on image inpainting, traffic flow prediction, and human pose estimation with different choices of symmetries. We show theoretically and empirically that the best generalization performance can be achieved by choosing a suitably larger group than the graph automorphism, but smaller than the permutation group. 

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2. On the hardness of learning under symmetries

   Kiani, Bobak; Le, Thien; Lawrence, Hannah; Jegelka, Stefanie; Weber, Melanie (May 2024, International Conference on Learning Representations (ICLR), 2024)

   We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard. 

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3. Residual Pathway Priors for Soft Equivariance Constraints

   Finzi, Marc; Benton, Gregory; Wilson, Andrew G. (January 2021, Advances in neural information processing systems)

   Models such as convolutional neural networks restrict the hypothesis space to a set of functions satisfying equivariance constraints, and improve generalization in problems by capturing relevant symmetries. However, symmetries are often only partially respected, preventing models with restriction biases from fitting the data. We introduce Residual Pathway Priors (RPPs) as a method for converting hard architectural constraints into soft priors, guiding models towards structured solutions while retaining the ability to capture additional complexity. RPPs are resilient to approximate or misspecified symmetries, and are as effective as fully constrained models even when symmetries are exact. We show that RPPs provide compelling performance on both model-free and model-based reinforcement learning problems, where contact forces and directional rewards violate the assumptions of equivariant networks. Finally, we demonstrate that RPPs have broad applicability, including dynamical systems, regression, and classification. 

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4. Equivariant Reinforcement Learning under Partial Observability

   Nguyen, Hai; Baisero, Andrea; Klee, David; Wang, Dian; Platt, Robert; Amato, Christopher (November 2023, 2023 Conference on Robot Learning (CoRL-23))

   Incorporating inductive biases is a promising approach for tackling challenging robot learning domains with sample-efficient solutions. This paper identifies partially observable domains where symmetries can be a useful inductive bias for efficient learning. Specifically, by encoding the equivariance regarding specific group symmetries into the neural networks, our actor-critic reinforcement learning agents can reuse solutions in the past for related scenarios. Consequently, our equivariant agents outperform non-equivariant approaches significantly in terms of sample efficiency and final performance, demonstrated through experiments on a range of robotic tasks in simulation and real hardware. 

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5. Generalizing Convolutional Neural Networks for Equivarianceto Lie Groups on Arbitrary Continuous Data

   Finzi, M; Stanton, S; Izmailov, P; Wilson, A.G. (January 2020, International Conference on Machine Learning)

   The translation equivariance of convolutional layers enables convolutional neural networks to generalize well on image problems. While translation equivariance provides a powerful inductive bias for images, we often additionally desire equivariance to other transformations, such as rotations, especially for non-image data. We propose a general method to construct a convolutional layer that is equivariant to transformations from any specified Lie group with a surjective exponential map. Incorporating equivariance to a new group requires implementing only the group exponential and logarithm maps, enabling rapid prototyping. Showcasing the simplicity and generality of our method, we apply the same model architecture to images, ball-and-stick molecular data, and Hamiltonian dynamical systems. For Hamiltonian systems, the equivariance of our models is especially impactful, leading to exact conservation of linear and angular momentum. 

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