NeurIPS 2020 Papers

In this work we target a learnable output representation that allows continuous, high resolution outputs of arbitrary shape. Recent works represent 3D surfaces implicitly with a Neural Network, thereby breaking previous barriers in resolution, and ability to represent diverse topologies. However, neural implicit representations are limited to closed surfaces, which divide the space into inside and outside. Many real world objects such as walls of a scene scanned by a sensor, clothing, or a car with inner structures are not closed. This constitutes a significant barrier, in terms of data pre-processing (objects need to be artificially closed creating artifacts), and the ability to output open surfaces. In this work, we propose Neural Distance Fields (NDF), a neural network based model which predicts the unsigned distance field for arbitrary 3D shapes given sparse point clouds. NDF represent surfaces at high resolutions as prior implicit models, but do not require closed surface data, and significantly broaden the class of representable shapes in the output. NDF allow to extract the surface as very dense point clouds and as meshes.

Neuroimaging studies produce gigabytes of spatio-temporal data for a small number of participants and stimuli. Recent work increasingly suggests that the common practice of averaging across participants and stimuli leaves out systematic and meaningful information. We propose Neural Topographic Factor Analysis (NTFA), a probabilistic factor analysis model that infers embeddings for participants and stimuli. These embeddings allow us to reason about differences between participants and stimuli as signal rather than noise. We evaluate NTFA on data from an in-house pilot experiment, as well as two publicly available datasets. We demonstrate that inferring representations for participants and stimuli improves predictive generalization to unseen data when compared to previous topographic methods. We also demonstrate that the inferred latent factor representations are useful for downstream tasks such as multivoxel pattern analysis and functional connectivity.

Reconstructing 3D objects from 2D images is a fundamental task in computer vision. Acurate structured reconstruction by parsimonious and semantic primitive representation further broadens its application. When reconstructing a target shape with multiple primitives, it is preferable that one can instantly access the union of basic properties of the shape such as collective volume and surface, treating the primitives as if they are one single shape. This becomes possible by primitive representation with unified implicit and explicit representations. However, primitive representations in current approaches do not satisfy all of the above requirements at the same time. To solve this problem, we propose a novel primitive representation named neural star domain (NSD) that learns primitive shapes in the star domain. We show that NSD is a universal approximator of the star domain and is not only parsimonious and semantic but also an implicit and explicit shape representation. We demonstrate that our approach outperforms existing methods in image reconstruction tasks, semantic capabilities, and speed and quality of sampling high-resolution meshes.

Inspired by the robustness and efficiency of sparse representation in sparse coding based image restoration models, we investigate the sparsity of neurons in deep networks. Our method structurally enforces sparsity constraints upon hidden neurons. The sparsity constraints are favorable for gradient-based learning algorithms and attachable to convolution layers in various networks. Sparsity in neurons enables computation saving by only operating on non-zero components without hurting accuracy. Meanwhile, our method can magnify representation dimensionality and model capacity with negligible additional computation cost. Experiments show that sparse representation is crucial in deep neural networks for multiple image restoration tasks, including image super-resolution, image denoising, and image compression artifacts removal.

Conventional Neural Networks can approximate simple arithmetic operations, but fail to generalize beyond the range of numbers that were seen during training. Neural Arithmetic Units aim to overcome this difficulty, but current arithmetic units are either limited to operate on positive numbers or can only represent a subset of arithmetic operations. We introduce the Neural Power Unit (NPU) that operates on the full domain of real numbers and is capable of learning arbitrary power functions in a single layer. The NPU thus fixes the shortcomings of existing arithmetic units and extends their expressivity. We achieve this by using complex arithmetic without requiring a conversion of the network to complex numbers. A simplification of the unit to the RealNPU yields a highly transparent model. We show that the NPUs outperform their competitors in terms of accuracy and sparsity on artificial arithmetic datasets, and that the RealNPU can discover the governing equations of a dynamical system only from data.

Rectified linear unit (ReLU) activations can also be thought of as 'gates', which, either pass or stop their pre-activation input when they are 'on' (when the pre-activation input is positive) or 'off' (when the pre-activation input is negative) respectively. A deep neural network (DNN) with ReLU activations has many gates, and the on/off status of each gate changes across input examples as well as network weights. For a given input example, only a subset of gates are 'active', i.e., on, and the sub-network of weights connected to these active gates is responsible for producing the output. At randomised initialisation, the active sub-network corresponding to a given input example is random. During training, as the weights are learnt, the active sub-networks are also learnt, and could hold valuable information.

We introduce a novel, end-to-end learnable, differentiable non-rigid tracker that enables state-of-the-art non-rigid reconstruction by a learned robust optimization. Given two input RGB-D frames of a non-rigidly moving object, we employ a convolutional neural network to predict dense correspondences and their confidences. These correspondences are used as constraints in an as-rigid-as-possible (ARAP) optimization problem. By enabling gradient back-propagation through the weighted non-linear least squares solver, we are able to learn correspondences and confidences in an end-to-end manner such that they are optimal for the task of non-rigid tracking. Under this formulation, correspondence confidences can be learned via self-supervision, informing a learned robust optimization, where outliers and wrong correspondences are automatically down-weighted to enable effective tracking. Compared to state-of-the-art approaches, our algorithm shows improved reconstruction performance, while simultaneously achieving 85 times faster correspondence prediction than comparable deep-learning based methods.

In studying the expressiveness of neural networks, an important question is whether there are functions which can only be approximated by sufficiently deep networks, assuming their size is bounded. However, for constant depths, existing results are limited to depths $2$ and $3$, and achieving results for higher depths has been an important open question. In this paper, we focus on feedforward ReLU networks, and prove fundamental barriers to proving such results beyond depth $4$, by reduction to open problems and natural-proof barriers in circuit complexity. To show this, we study a seemingly unrelated problem of independent interest: Namely, whether there are polynomially-bounded functions which require super-polynomial weights in order to approximate with constant-depth neural networks. We provide a negative and constructive answer to that question, by showing that if a function can be approximated by a polynomially-sized, constant depth $k$ network with arbitrarily large weights, it can also be approximated by a polynomially-sized, depth $3k+3$ network, whose weights are polynomially bounded.

Neural networks are vulnerable to input perturbations such as additive noise and adversarial attacks. In contrast, human perception is much more robust to such perturbations. The Bayesian brain hypothesis states that human brains use an internal generative model to update the posterior beliefs of the sensory input. This mechanism can be interpreted as a form of self-consistency between the maximum a posteriori (MAP) estimation of an internal generative model and the external environment. Inspired by such hypothesis, we enforce self-consistency in neural networks by incorporating generative recurrent feedback. We instantiate this design on convolutional neural networks (CNNs). The proposed framework, termed Convolutional Neural Networks with Feedback (CNN-F), introduces a generative feedback with latent variables to existing CNN architectures, where consistent predictions are made through alternating MAP inference under a Bayesian framework. In the experiments, CNN-F shows considerably improved adversarial robustness over conventional feedforward CNNs on standard benchmarks.

Many results in recent years established polynomial time learnability of various models via neural networks algorithms (e.g. \cite{andoni2014learning, daniely2016toward, daniely2017sgd, cao2019generalization, ziwei2019polylogarithmic, zou2019improved, ma2019comparative, du2018gradient, arora2019fine, song2019quadratic, oymak2019towards, ge2019mildly, brutzkus2018sgd}). However, unless the model is linear separable~\cite{brutzkus2018sgd}, or the activation is a polynomial~\cite{ge2019mildly}, these results require very large networks -- much more than what is needed for the mere existence of a good predictor. In this paper we prove that SGD on depth two neural networks can memorize samples, learn polynomials with bounded weights, and learn certain kernel spaces, with {\em near optimal} network size, sample complexity, and runtime. In particular, we show that SGD on depth two network with $\tilde{O}\left(\frac{m}{d}\right)$ hidden neurons (and hence $\tilde{O}(m)$ parameters) can memorize $m$ random labeled points in $\sphere^{d-1}$.

Previous literature offers limited clues on how to learn a periodic function using modern neural networks. We start with a study of the extrapolation properties of neural networks; we prove and demonstrate experimentally that the standard activations functions, such as ReLU, tanh, sigmoid, along with their variants, all fail to learn to extrapolate simple periodic functions. We hypothesize that this is due to their lack of a ``periodic" inductive bias. As a fix of this problem, we propose a new activation, namely, $x + \sin^2(x)$, which achieves the desired periodic inductive bias to learn a periodic function while maintaining a favorable optimization property of the $\relu$-based activations. Experimentally, we apply the proposed method to temperature and financial data prediction.

Message passing neural network (MPNN) has recently emerged as a successful framework by achieving state-of-the-art performances on many graph-based learning tasks. MPNN has also recently been extended to multi-relational graphs (each edge is labelled), and hypergraphs (each edge can connect any number of vertices). However, in real-world datasets involving text and knowledge, relationships are much more complex in which hyperedges can be multi-relational, recursive, and ordered. Such structures present several unique challenges because it is not clear how to adapt MPNN to variable-sized hyperedges in them.

To better conform to data geometry, recent deep generative modelling techniques adapt Euclidean constructions to non-Euclidean spaces. In this paper, we study normalizing flows on manifolds. Previous work has developed flow models for specific cases; however, these advancements hand craft layers on a manifold-by-manifold basis, restricting generality and inducing cumbersome design constraints. We overcome these issues by introducing Neural Manifold Ordinary Differential Equations, a manifold generalization of Neural ODEs, which enables the construction of Manifold Continuous Normalizing Flows (MCNFs). MCNFs require only local geometry (therefore generalizing to arbitrary manifolds) and compute probabilities with continuous change of variables (allowing for a simple and expressive flow construction). We find that leveraging continuous manifold dynamics produces a marked improvement for both density estimation and downstream tasks.

Synthesizing larger texture images from a smaller exemplar is an important task in graphics and vision. The conventional CNNs, recently adopted for synthesis, require to train and test on the same set of images and fail to generalize to unseen images. This is mainly because those CNNs fully rely on convolutional and upsampling layers that operate locally and not suitable for a task as global as texture synthesis. In this work, inspired by the repetitive nature of texture patterns, we find that texture synthesis can be viewed as (local) \textit{upsampling} in the Fast Fourier Transform (FFT) domain. However, FFT of natural images exhibits high dynamic range and lacks local correlations. Therefore, to train CNNs we design a framework to perform FFT upsampling in feature space using deformable convolutions. Such design allows our framework to generalize to unseen images, and synthesize textures in a single pass. Extensive evaluations confirm that our method achieves state-of-the-art performance both quantitatively and qualitatively.

A significant effort has been made to train neural networks that replicate algorithmic reasoning, but they often fail to learn the abstract concepts underlying these algorithms. This is evidenced by their inability to generalize to data distributions that are outside of their restricted training sets, namely larger inputs and unseen data. We study these generalization issues at the level of numerical subroutines that comprise common algorithms like sorting, shortest paths, and minimum spanning trees. First, we observe that transformer-based sequence-to-sequence models can learn subroutines like sorting a list of numbers, but their performance rapidly degrades as the length of lists grows beyond those found in the training set. We demonstrate that this is due to attention weights that lose fidelity with longer sequences, particularly when the input numbers are numerically similar. To address the issue, we propose a learned conditional masking mechanism, which enables the model to strongly generalize far outside of its training range with near-perfect accuracy on a variety of algorithms. Second, to generalize to unseen data, we show that encoding numbers with a binary representation leads to embeddings with rich structure once trained on downstream tasks like addition or multiplication. This allows the embedding to handle missing data by faithfully interpolating numbers not seen during training.

While various complexity measures for deep neural networks exist, specifying an appropriate measure capable of predicting and explaining generalization in deep networks has proven challenging. We propose Neural Complexity (NC), a meta-learning framework for predicting generalization. Our model learns a scalar complexity measure through interactions with many heterogeneous tasks in a data-driven way. The trained NC model can be added to the standard training loss to regularize any task learner in a standard supervised learning scenario. We contrast NC's approach against existing manually-designed complexity measures and other meta-learning models, and we validate NC's performance on multiple regression and classification tasks.

Learning-based methodologies increasingly find applications in safety-critical domains like autonomous driving and medical robotics. Due to the rare nature of dangerous events, real-world testing is prohibitively expensive and unscalable. In this work, we employ a probabilistic approach to safety evaluation in simulation, where we are concerned with computing the probability of dangerous events. We develop a novel rare-event simulation method that combines exploration, exploitation, and optimization techniques to find failure modes and estimate their rate of occurrence. We provide rigorous guarantees for the performance of our method in terms of both statistical and computational efficiency. Finally, we demonstrate the efficacy of our approach on a variety of scenarios, illustrating its usefulness as a tool for rapid sensitivity analysis and model comparison that are essential to developing and testing safety-critical autonomous systems.

Neural Architecture Search (NAS) was first proposed to achieve state-of-the-art performance through the discovery of new architecture patterns, without human intervention. An over-reliance on expert knowledge in the search space design has however led to increased performance (local optima) without significant architectural breakthroughs, thus preventing truly novel solutions from being reached. In this work we 1) are the first to investigate casting NAS as a problem of finding the optimal network generator and 2) we propose a new, hierarchical and graph-based search space capable of representing an extremely large variety of network types, yet only requiring few continuous hyper-parameters. This greatly reduces the dimensionality of the problem, enabling the effective use of Bayesian Optimisation as a search strategy. At the same time, we expand the range of valid architectures, motivating a multi-objective learning approach. We demonstrate the effectiveness of this strategy on six benchmark datasets and show that our search space generates extremely lightweight yet highly competitive models.

In this work, we analyze the role of the network architecture in shaping the inductive bias of deep classifiers. To that end, we start by focusing on a very simple problem, i.e., classifying a class of linearly separable distributions, and show that, depending on the direction of the discriminative feature of the distribution, many state-of-the-art deep convolutional neural networks (CNNs) have a surprisingly hard time solving this simple task. We then define as neural anisotropy directions (NADs) the vectors that encapsulate the directional inductive bias of an architecture. These vectors, which are specific for each architecture and hence act as a signature, encode the preference of a network to separate the input data based on some particular features. We provide an efficient method to identify NADs for several CNN architectures and thus reveal their directional inductive biases. Furthermore, we show that, for the CIFAR-10 dataset, NADs characterize the features used by CNNs to discriminate between different classes.