No Arabic abstract
The development of machine learning is promoting the search for fast and stable minimization algorithms. To this end, we suggest a change in the current gradient descent methods that should speed up the motion in flat regions and slow it down in steep directions of the function to minimize. It is based on a power gradient, in which each component of the gradient is replaced by its versus-preserving $H$-th power, with $0<H<1$. We test three modern gradient descent methods fed by such variant and by standard gradients, finding the new version to achieve significantly better performances for the Nesterov accelerated gradient and AMSGrad. We also propose an effective new take on the ADAM algorithm, which includes power gradients with varying $H$.
Stochastic gradient descent (SGD) is widely believed to perform implicit regularization when used to train deep neural networks, but the precise manner in which this occurs has thus far been elusive. We prove that SGD minimizes an average potential over the posterior distribution of weights along with an entropic regularization term. This potential is however not the original loss function in general. So SGD does perform variational inference, but for a different loss than the one used to compute the gradients. Even more surprisingly, SGD does not even converge in the classical sense: we show that the most likely trajectories of SGD for deep networks do not behave like Brownian motion around critical points. Instead, they resemble closed loops with deterministic components. We prove that such out-of-equilibrium behavior is a consequence of highly non-isotropic gradient noise in SGD; the covariance matrix of mini-batch gradients for deep networks has a rank as small as 1% of its dimension. We provide extensive empirical validation of these claims, proven in the appendix.
Non-convex optimization problems are challenging to solve; the success and computational expense of a gradient descent algorithm or variant depend heavily on the initialization strategy. Often, either random initialization is used or initialization rules are carefully designed by exploiting the nature of the problem class. As a simple alternative to hand-crafted initialization rules, we propose an approach for learning good initialization rules from previous solutions. We provide theoretical guarantees that establish conditions that are sufficient in all cases and also necessary in some under which our approach performs better than random initialization. We apply our methodology to various non-convex problems such as generating adversarial examples, generating post hoc explanations for black-box machine learning models, and allocating communication spectrum, and show consistent gains over other initialization techniques.
We show analytically that training a neural network by conditioned stochastic mutation or neuroevolution of its weights is equivalent, in the limit of small mutations, to gradient descent on the loss function in the presence of Gaussian white noise. Averaged over independent realizations of the learning process, neuroevolution is equivalent to gradient descent on the loss function. We use numerical simulation to show that this correspondence can be observed for finite mutations,for shallow and deep neural networks. Our results provide a connection between two families of neural-network training methods that are usually considered to be fundamentally different.
Particle-based approximate Bayesian inference approaches such as Stein Variational Gradient Descent (SVGD) combine the flexibility and convergence guarantees of sampling methods with the computational benefits of variational inference. In practice, SVGD relies on the choice of an appropriate kernel function, which impacts its ability to model the target distribution -- a challenging problem with only heuristic solutions. We propose Neural Variational Gradient Descent (NVGD), which is based on parameterizing the witness function of the Stein discrepancy by a deep neural network whose parameters are learned in parallel to the inference, mitigating the necessity to make any kernel choices whatsoever. We empirically evaluate our method on popular synthetic inference problems, real-world Bayesian linear regression, and Bayesian neural network inference.
The conjugate gradient (CG) method, a standard and vital way of minimizing the energy of a variational state, is applied to solve several problems in Skyrmion physics. The single-Skyrmion profile optimizing the energy of a two-dimensional chiral magnet is found without relying on specific boundary conditions. The two-dimensional Skyrmion lattice and three-dimensional hedgehog crystal state is recovered with efficiency using the modified CG (p-GD) method. The p-GD method is proposed as a complement to the traditional Monte Carlo annealing method, which still gives better results for the ground state but at the far greater cost in computation time.