Robot path planning is difficult to solve due to the contradiction between optimality of results and complexity of algorithms, even in 2D environments. To find an optimal path, the algorithm needs to search all the state space, which costs a lot of computation resource. To address this issue, we present a novel recurrent generative model (RGM) which generates efficient heuristic to reduce the search efforts of path planning algorithm. This RGM model adopts the framework of general generative adversarial networks (GAN), which consists of a novel generator that can generate heuristic by refining the outputs recurrently and two discriminators that check the connectivity and safety properties of heuristic. We test the proposed RGM module in various 2D environments to demonstrate its effectiveness and efficiency. The results show that the RGM successfully generates appropriate heuristic in both seen and new unseen maps with a high accuracy, demonstrating the good generalization ability of this model. We also compare the rapidly-exploring random tree star (RRT*) with generated heuristic and the conventional RRT* in four different maps, showing that the generated heuristic can guide the algorithm to find both initial and optimal solution in a faster and more efficient way.

We develop data-driven methods for incorporating physical information for priors to learn parsimonious representations of nonlinear systems arising from parameterized PDEs and mechanics. Our approach is based on Variational Autoencoders (VAEs) for learning from observations nonlinear state space models. We develop ways to incorporate geometric and topological priors through general manifold latent space representations. We investigate the performance of our methods for learning low dimensional representations for the nonlinear Burgers equation and constrained mechanical systems.

T-cell receptors can recognize foreign peptides bound to major histocompatibility complex (MHC) class-I proteins, and thus trigger the adaptive immune response. Therefore, identifying peptides that can bind to MHC class-I molecules plays a vital role in the design of peptide vaccines. Many computational methods, for example, the state-of-the-art allele-specific method MHCflurry, have been developed to predict the binding affinities between peptides and MHC molecules. In this manuscript, we develop two allele-specific Convolutional Neural Network (CNN)-based methods named ConvM and SpConvM to tackle the binding prediction problem. Specifically, we formulate the problem as to optimize the rankings of peptide-MHC bindings via ranking-based learning objectives. Such optimization is more robust and tolerant to the measurement inaccuracy of binding affinities, and therefore enables more accurate prioritization of binding peptides. In addition, we develop a new position encoding method in ConvM and SpConvM to better identify the most important amino acids for the binding events. Our experimental results demonstrate that our models significantly outperform the state-of-the-art methods including MHCflurry with an average percentage improvement of 6.70% on AUC and 17.10% on ROC5 across 128 alleles.

Quantitative susceptibility mapping (QSM) is a useful magnetic resonance imaging (MRI) technique which provides spatial distribution of magnetic susceptibility values of tissues. QSMs can be obtained by deconvolving the dipole kernel from phase images, but the spectral nulls in the dipole kernel make the inversion ill-posed. In recent times, deep learning approaches have shown a comparable QSM reconstruction performance as the classic approaches, despite the fast reconstruction time. Most of the existing deep learning methods are, however, based on supervised learning, so matched pairs of input phase images and the ground-truth maps are needed. Moreover, it was reported that the supervised learning often leads to underestimated QSM values. To address this, here we propose a novel unsupervised QSM deep learning method using physics-informed cycleGAN, which is derived from optimal transport perspective. In contrast to the conventional cycleGAN, our novel cycleGAN has only one generator and one discriminator thanks to the known dipole kernel. Experimental results confirm that the proposed method provides more accurate QSM maps compared to the existing deep learning approaches, and provide competitive performance to the best classical approaches despite the ultra-fast reconstruction.

Thanks to the tractability of their likelihood, some deep generative models show promise for seemingly straightforward but important applications like anomaly detection, uncertainty estimation, and active learning. However, the likelihood values empirically attributed to anomalies conflict with the expectations these proposed applications suggest. In this paper, we take a closer look at the behavior of distribution densities and show that these quantities carry less meaningful information than previously thought, beyond estimation issues or the curse of dimensionality. We conclude that the use of these likelihoods for out-of-distribution detection relies on strong and implicit hypotheses, and highlight the necessity of explicitly formulating these assumptions for reliable anomaly detection.

Does a Variational AutoEncoder (VAE) consistently encode typical samples generated from its decoder? This paper shows that the perhaps surprising answer to this question is `No'; a (nominally trained) VAE does not necessarily amortize inference for typical samples that it is capable of generating. We study the implications of this behaviour on the learned representations and also the consequences of fixing it by introducing a notion of self consistency. Our approach hinges on an alternative construction of the variational approximation distribution to the true posterior of an extended VAE model with a Markov chain alternating between the encoder and the decoder. The method can be used to train a VAE model from scratch or given an already trained VAE, it can be run as a post processing step in an entirely self supervised way without access to the original training data. Our experimental analysis reveals that encoders trained with our self-consistency approach lead to representations that are robust (insensitive) to perturbations in the input introduced by adversarial attacks. We provide experimental results on the ColorMnist and CelebA benchmark datasets that quantify the properties of the learned representations and compare the approach with a baseline that is specifically trained for the desired property.

Modern neural network architectures typically have many millions of parameters and can be pruned significantly without substantial loss in effectiveness which demonstrates they are over-parameterized. The contribution of this work is two-fold. The first is a method for approximating a multivariate Bernoulli random variable by means of a deterministic and differentiable transformation of any real-valued multivariate random variable. The second is a method for model selection by element-wise multiplication of parameters with approximate binary gates that may be computed deterministically or stochastically and take on exact zero values. Sparsity is encouraged by the inclusion of a surrogate regularization to the $L_0$ loss. Since the method is differentiable it enables straightforward and efficient learning of model architectures by an empirical risk minimization procedure with stochastic gradient descent and theoretically enables conditional computation during training. The method also supports any arbitrary group sparsity over parameters or activations and therefore offers a framework for unstructured or flexible structured model pruning. To conclude experiments are performed to demonstrate the effectiveness of the proposed approach.

Promising resolutions of the generalization puzzle observe that the actual number of parameters in a deep network is much smaller than naive estimates suggest. The renormalization group is a compelling example of a problem which has very few parameters, despite the fact that naive estimates suggest otherwise. Our central hypothesis is that the mechanisms behind the renormalization group are also at work in deep learning, and that this leads to a resolution of the generalization puzzle. We show detailed quantitative evidence that proves the hypothesis for an RBM, by showing that the trained RBM is discarding high momentum modes. Specializing attention mainly to autoencoders, we give an algorithm to determine the network's parameters directly from the learning data set. The resulting autoencoder almost performs as well as one trained by deep learning, and it provides an excellent initial condition for training, reducing training times by a factor between 4 and 100 for the experiments we considered. Further, we are able to suggest a simple criterion to decide if a given problem can or can not be solved using a deep network.

A fascinating hypothesis is that human and animal intelligence could be explained by a few principles (rather than an encyclopedic list of heuristics). If that hypothesis was correct, we could more easily both understand our own intelligence and build intelligent machines. Just like in physics, the principles themselves would not be sufficient to predict the behavior of complex systems like brains, and substantial computation might be needed to simulate human-like intelligence. This hypothesis would suggest that studying the kind of inductive biases that humans and animals exploit could help both clarify these principles and provide inspiration for AI research and neuroscience theories. Deep learning already exploits several key inductive biases, and this work considers a larger list, focusing on those which concern mostly higher-level and sequential conscious processing. The objective of clarifying these particular principles is that they could potentially help us build AI systems benefiting from humans' abilities in terms of flexible out-of-distribution and systematic generalization, which is currently an area where a large gap exists between state-of-the-art machine learning and human intelligence.

Has one of the most important questions of science now been answered? From the headlines you might think so. For some biology's "holy grail" had been found. For others planetary extinction could be averted. On the surface the news seemed rather mundane.