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We introduce a novel approach to perform first-order optimization with orthogonal and unitary constraints. This approach is based on a parametrization stemming from Lie group theory through the exponential map. The parametrization transforms the constrained optimization problem into an unconstrained one over a Euclidean space, for which common first-order optimization methods can be used. The theoretical results presented are general enough to cover the special orthogonal group, the unitary group and, in general, any connected compact Lie group. We discuss how this and other parametrizations can be computed efficiently through an implementation trick, making numerically complex parametrizations usable at a negligible runtime cost in neural networks. In particular, we apply our results to RNNs with orthogonal recurrent weights, yielding a new architecture called expRNN. We demonstrate how our method constitutes a more robust approach to optimization with orthogonal constraints, showing faster, accurate, and more stable convergence in several tasks designed to test RNNs.
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We introduce an efficient approach for optimization over orthogonal groups on highly parallel computation units such as GPUs or TPUs. As in earlier work, we parametrize an orthogonal matrix as a product of Householder reflections. However, to overcome low parallelization capabilities of computing Householder reflections sequentially, we propose employing an accumulation scheme called the compact WY (or CWY) transform -- a compact parallelization-friendly matrix representation for the series of Householder reflections. We further develop a novel Truncated CWY (or T-CWY) approach for Stiefel manifold parametrization which has a competitive complexity and, again, yields benefits when computed on GPUs and TPUs. We prove that our CWY and T-CWY methods lead to convergence to a stationary point of the training objective when coupled with stochastic gradient descent. We apply our methods to train recurrent neural network architectures in the tasks of neural machine translation and video prediction.
The prevailing thinking is that orthogonal weights are crucial to enforcing dynamical isometry and speeding up training. The increase in learning speed that results from orthogonal initialization in linear networks has been well-proven. However, while the same is believed to also hold for nonlinear networks when the dynamical isometry condition is satisfied, the training dynamics behind this contention have not been thoroughly explored. In this work, we study the dynamics of ultra-wide networks across a range of architectures, including Fully Connected Networks (FCNs) and Convolutional Neural Networks (CNNs) with orthogonal initialization via neural tangent kernel (NTK). Through a series of propositions and lemmas, we prove that two NTKs, one corresponding to Gaussian weights and one to orthogonal weights, are equal when the network width is infinite. Further, during training, the NTK of an orthogonally-initialized infinite-width network should theoretically remain constant. This suggests that the orthogonal initialization cannot speed up training in the NTK (lazy training) regime, contrary to the prevailing thoughts. In order to explore under what circumstances can orthogonality accelerate training, we conduct a thorough empirical investigation outside the NTK regime. We find that when the hyper-parameters are set to achieve a linear regime in nonlinear activation, orthogonal initialization can improve the learning speed with a large learning rate or large depth.
We present a new class of stochastic, geometrically-driven optimization algorithms on the orthogonal group $O(d)$ and naturally reductive homogeneous manifolds obtained from the action of the rotation group $SO(d)$. We theoretically and experimentally demonstrate that our methods can be applied in various fields of machine learning including deep, convolutional and recurrent neural networks, reinforcement learning, normalizing flows and metric learning. We show an intriguing connection between efficient stochastic optimization on the orthogonal group and graph theory (e.g. matching problem, partition functions over graphs, graph-coloring). We leverage the theory of Lie groups and provide theoretical results for the designed class of algorithms. We demonstrate broad applicability of our methods by showing strong performance on the seemingly unrelated tasks of learning world models to obtain stable policies for the most difficult $mathrm{Humanoid}$ agent from $mathrm{OpenAI}$ $mathrm{Gym}$ and improving convolutional neural networks.
Deep convolutional neural networks are hindered by training instability and feature redundancy towards further performance improvement. A promising solution is to impose orthogonality on convolutional filters. We develop an efficient approach to impose filter orthogonality on a convolutional layer based on the doubly block-Toeplitz matrix representation of the convolutional kernel instead of using the common kernel orthogonality approach, which we show is only necessary but not sufficient for ensuring orthogonal convolutions. Our proposed orthogonal convolution requires no additional parameters and little computational overhead. This method consistently outperforms the kernel orthogonality alternative on a wide range of tasks such as image classification and inpainting under supervised, semi-supervised and unsupervised settings. Further, it learns more diverse and expressive features with better training stability, robustness, and generalization. Our code is publicly available at https://github.com/samaonline/Orthogonal-Convolutional-Neural-Networks.
Despite existing work on ensuring generalization of neural networks in terms of scale sensitive complexity measures, such as norms, margin and sharpness, these complexity measures do not offer an explanation of why neural networks generalize better with over-parametrization. In this work we suggest a novel complexity measure based on unit-wise capacities resulting in a tighter generalization bound for two layer ReLU networks. Our capacity bound correlates with the behavior of test error with increasing network sizes, and could potentially explain the improvement in generalization with over-parametrization. We further present a matching lower bound for the Rademacher complexity that improves over previous capacity lower bounds for neural networks.
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