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Register a new userStochastic Flows and Geometric Optimization on the Orthogonal Group
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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.
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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.
The non-negative matrix factorization (NMF) model with an additional orthogonality constraint on one of the factor matrices, called the orthogonal NMF (ONMF), has been found a promising clustering model and can outperform the classical K-means. However, solving the ONMF model is a challenging optimization problem because the coupling of the orthogonality and non-negativity constraints introduces a mixed combinatorial aspect into the problem due to the determination of the correct status of the variables (positive or zero). Most of the existing methods directly deal with the orthogonality constraint in its original form via various optimization techniques, but are not scalable for large-scale problems. In this paper, we propose a new ONMF based clustering formulation that equivalently transforms the orthogonality constraint into a set of norm-based non-convex equality constraints. We then apply a non-convex penalty (NCP) approach to add them to the objective as penalty terms, leading to a problem that is efficiently solvable. One smooth penalty formulation and one non-smooth penalty formulation are respectively studied. We build theoretical conditions for the penalized problems to provide feasible stationary solutions to the ONMF based clustering problem, as well as proposing efficient algorithms for solving the penalized problems of the two NCP methods. Experimental results based on both synthetic and real datasets are presented to show that the proposed NCP methods are computationally time efficient, and either match or outperform the existing K-means and ONMF based methods in terms of the clustering performance.
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.
Normalizing flows transform a simple base distribution into a complex target distribution and have proved to be powerful models for data generation and density estimation. In this work, we propose a novel type of normalizing flow driven by a differential deformation of the Wiener process. As a result, we obtain a rich time series model whose observable process inherits many of the appealing properties of its base process, such as efficient computation of likelihoods and marginals. Furthermore, our continuous treatment provides a natural framework for irregular time series with an independent arrival process, including straightforward interpolation. We illustrate the desirable properties of the proposed model on popular stochastic processes and demonstrate its superior flexibility to variational RNN and latent ODE baselines in a series of experiments on synthetic and real-world data.
Recent research has seen several advances relevant to black-box VI, but the current state of automatic posterior inference is unclear. One such advance is the use of normalizing flows to define flexible posterior densities for deep latent variable models. Another direction is the integration of Monte-Carlo methods to serve two purposes; first, to obtain tighter variational objectives for optimization, and second, to define enriched variational families through sampling. However, both flows and variational Monte-Carlo methods remain relatively unexplored for black-box VI. Moreover, on a pragmatic front, there are several optimization considerations like step-size scheme, parameter initialization, and choice of gradient estimators, for which there are no clear guidance in the existing literature. In this paper, we postulate that black-box VI is best addressed through a careful combination of numerous algorithmic components. We evaluate components relating to optimization, flows, and Monte-Carlo methods on a benchmark of 30 models from the Stan model library. The combination of these algorithmic components significantly advances the state-of-the-art out of the box variational inference.
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