OpenRaiser/Intern-Atlas huggingface dataset:
Federated Principal Component Analysis
Venue: Conference NeurIPS 2020
Year: 2020

We present a federated, asynchronous, and $(\varepsilon, δ)$-differentially private algorithm for PCA in the memory-limited setting. Our algorithm incrementally computes local model updates using a streaming procedure and adaptively estimates its $r$ leading principal components when only $\mathcal{O}(dr)$ memory is available with $d$ being the dimensionality of the data. We guarantee differential privacy via an input-perturbation scheme in which the covariance matrix of a dataset $\mathbf{X} \in \mathbb{R}^{d \times n}$ is perturbed with a non-symmetric random Gaussian matrix with variance in $\mathcal{O}\left(\left(\frac{d}{n}\right)^2 \log d \right)$, thus improving upon the state-of-the-art. Furthermore, contrary to previous federated or distributed algorithms for PCA, our algorithm is also invariant to permutations in the incoming data, which provides robustness against straggler or failed nodes. Numerical simulations show that, while using limited-memory, our algorithm exhibits performance that closely matches or outperforms traditional non-federated algorithms, and in the absence of communication latency, it exhibits attractive horizontal scalability.
SMYRF - Efficient Attention using Asymmetric Clustering
Venue: Conference NeurIPS 2020
Year: 2020

We propose a novel type of balanced clustering algorithm to approximate attention. Attention complexity is reduced from $O(N^2)$ to $O(N \log N)$, where $N$ is the sequence length. Our algorithm, SMYRF, uses Locality Sensitive Hashing (LSH) in a novel way by defining new Asymmetric transformations and an adaptive scheme that produces balanced clusters. The biggest advantage of SMYRF is that it can be used as a drop-in replacement for dense attention layers without any retraining. On the contrary, prior fast attention methods impose constraints (e.g. queries and keys share the same vector representations) and require re-training from scratch. We apply our method to pre-trained state-of-the-art Natural Language Processing and Computer Vision models and we report significant memory and speed benefits. Notably, SMYRF-BERT outperforms (slightly) BERT on GLUE, while using $50\%$ less memory. We also show that SMYRF can be used interchangeably with dense attention before and after training. Finally, we use SMYRF to train GANs with attention in high resolutions. Using a single TPU, we were able to scale attention to 128x128=16k and 256x256=65k tokens on BigGAN on CelebA-HQ.
Neutralizing Self-Selection Bias in Sampling for Sortition
Venue: Conference NeurIPS 2020
Year: 2020

Sortition is a political system in which decisions are made by panels of randomly selected citizens. The process for selecting a sortition panel is traditionally thought of as uniform sampling without replacement, which has strong fairness properties. In practice, however, sampling without replacement is not possible since only a fraction of agents is willing to participate in a panel when invited, and different demographic groups participate at different rates. In order to still produce panels whose composition resembles that of the population, we develop a sampling algorithm that restores close-to-equal representation probabilities for all agents while satisfying meaningful demographic quotas. As part of its input, our algorithm requires probabilities indicating how likely each volunteer in the pool was to participate. Since these participation probabilities are not directly observable, we show how to learn them, and demonstrate our approach using data on a real sortition panel combined with information on the general population in the form of publicly available survey data.
Off-Policy Evaluation via the Regularized Lagrangian
Venue: Conference NeurIPS 2020
Year: 2020

The recently proposed distribution correction estimation (DICE) family of estimators has advanced the state of the art in off-policy evaluation from behavior-agnostic data. While these estimators all perform some form of stationary distribution correction, they arise from different derivations and objective functions. In this paper, we unify these estimators as regularized Lagrangians of the same linear program. The unification allows us to expand the space of DICE estimators to new alternatives that demonstrate improved performance. More importantly, by analyzing the expanded space of estimators both mathematically and empirically we find that dual solutions offer greater flexibility in navigating the tradeoff between optimization stability and estimation bias, and generally provide superior estimates in practice.
The LoCA Regret: A Consistent Metric to Evaluate Model-Based Behavior in Reinforcement Learning
Venue: Conference NeurIPS 2020
Year: 2020

Deep model-based Reinforcement Learning (RL) has the potential to substantially improve the sample-efficiency of deep RL. While various challenges have long held it back, a number of papers have recently come out reporting success with deep model-based methods. This is a great development, but the lack of a consistent metric to evaluate such methods makes it difficult to compare various approaches. For example, the common single-task sample-efficiency metric conflates improvements due to model-based learning with various other aspects, such as representation learning, making it difficult to assess true progress on model-based RL. To address this, we introduce an experimental setup to evaluate model-based behavior of RL methods, inspired by work from neuroscience on detecting model-based behavior in humans and animals. Our metric based on this setup, the Local Change Adaptation (LoCA) regret, measures how quickly an RL method adapts to a local change in the environment. Our metric can identify model-based behavior, even if the method uses a poor representation and provides insight in how close a method's behavior is from optimal model-based behavior. We use our setup to evaluate the model-based behavior of MuZero on a variation of the classic Mountain Car task.
Towards Scalable Bayesian Learning of Causal DAGs
Venue: Conference NeurIPS 2020
Year: 2020

We give methods for Bayesian inference of directed acyclic graphs, DAGs, and the induced causal effects from passively observed complete data. Our methods build on a recent Markov chain Monte Carlo scheme for learning Bayesian networks, which enables efficient approximate sampling from the graph posterior, provided that each node is assigned a small number $K$ of candidate parents. We present algorithmic techniques to significantly reduce the space and time requirements, which make the use of substantially larger values of $K$ feasible. Furthermore, we investigate the problem of selecting the candidate parents per node so as to maximize the covered posterior mass. Finally, we combine our sampling method with a novel Bayesian approach for estimating causal effects in linear Gaussian DAG models. Numerical experiments demonstrate the performance of our methods in detecting ancestor-descendant relations, and in causal effect estimation our Bayesian method is shown to outperform previous approaches.
A Dictionary Approach to Domain-Invariant Learning in Deep Networks
Venue: Conference NeurIPS 2020
Year: 2020

In this paper, we consider domain-invariant deep learning by explicitly modeling domain shifts with only a small amount of domain-specific parameters in a Convolutional Neural Network (CNN). By exploiting the observation that a convolutional filter can be well approximated as a linear combination of a small set of dictionary atoms, we show for the first time, both empirically and theoretically, that domain shifts can be effectively handled by decomposing a convolutional layer into a domain-specific atom layer and a domain-shared coefficient layer, while both remain convolutional. An input channel will now first convolve spatially only with each respective domain-specific dictionary atom to "absorb" domain variations, and then output channels are linearly combined using common decomposition coefficients trained to promote shared semantics across domains. We use toy examples, rigorous analysis, and real-world examples with diverse datasets and architectures, to show the proposed plug-in framework's effectiveness in cross and joint domain performance and domain adaptation. With the proposed architecture, we need only a small set of dictionary atoms to model each additional domain, which brings a negligible amount of additional parameters, typically a few hundred.
Large-Scale Adversarial Training for Vision-and-Language Representation Learning
Venue: Conference NeurIPS 2020
Year: 2020

We present VILLA, the first known effort on large-scale adversarial training for vision-and-language (V+L) representation learning. VILLA consists of two training stages: (i) task-agnostic adversarial pre-training; followed by (ii) task-specific adversarial finetuning. Instead of adding adversarial perturbations on image pixels and textual tokens, we propose to perform adversarial training in the embedding space of each modality. To enable large-scale training, we adopt the "free" adversarial training strategy, and combine it with KL-divergence-based regularization to promote higher invariance in the embedding space. We apply VILLA to current best-performing V+L models, and achieve new state of the art on a wide range of tasks, including Visual Question Answering, Visual Commonsense Reasoning, Image-Text Retrieval, Referring Expression Comprehension, Visual Entailment, and NLVR2.
Most ReLU Networks Suffer from $\ell^2$ Adversarial Perturbations
Venue: Conference NeurIPS 2020
Year: 2020

We consider ReLU networks with random weights, in which the dimension decreases at each layer. We show that for most such networks, most examples $x$ admit an adversarial perturbation at an Euclidean distance of $O\left(\frac{\|x\|}{\sqrt{d}}\right)$, where $d$ is the input dimension. Moreover, this perturbation can be found via gradient flow, as well as gradient descent with sufficiently small steps. This result can be seen as an explanation to the abundance of adversarial examples, and to the fact that they are found via gradient descent.
Debiasing Distributed Second Order Optimization with Surrogate Sketching and Scaled Regularization
Venue: Conference NeurIPS 2020
Year: 2020

In distributed second order optimization, a standard strategy is to average many local estimates, each of which is based on a small sketch or batch of the data. However, the local estimates on each machine are typically biased, relative to the full solution on all of the data, and this can limit the effectiveness of averaging. Here, we introduce a new technique for debiasing the local estimates, which leads to both theoretical and empirical improvements in the convergence rate of distributed second order methods. Our technique has two novel components: (1) modifying standard sketching techniques to obtain what we call a surrogate sketch; and (2) carefully scaling the global regularization parameter for local computations. Our surrogate sketches are based on determinantal point processes, a family of distributions for which the bias of an estimate of the inverse Hessian can be computed exactly. Based on this computation, we show that when the objective being minimized is $l_2$-regularized with parameter $λ$ and individual machines are each given a sketch of size $m$, then to eliminate the bias, local estimates should be computed using a shrunk regularization parameter given by $λ^{\prime}=λ\cdot(1-\frac{d_λ}{m})$, where $d_λ$ is the $λ$-effective dimension of the Hessian (or, for quadratic problems, the data matrix).
Neural Controlled Differential Equations for Irregular Time Series
Venue: Conference NeurIPS 2020
Year: 2020

Neural ordinary differential equations are an attractive option for modelling temporal dynamics. However, a fundamental issue is that the solution to an ordinary differential equation is determined by its initial condition, and there is no mechanism for adjusting the trajectory based on subsequent observations. Here, we demonstrate how this may be resolved through the well-understood mathematics of \emph{controlled differential equations}. The resulting \emph{neural controlled differential equation} model is directly applicable to the general setting of partially-observed irregularly-sampled multivariate time series, and (unlike previous work on this problem) it may utilise memory-efficient adjoint-based backpropagation even across observations. We demonstrate that our model achieves state-of-the-art performance against similar (ODE or RNN based) models in empirical studies on a range of datasets. Finally we provide theoretical results demonstrating universal approximation, and that our model subsumes alternative ODE models.
On Correctness of Automatic Differentiation for Non-Differentiable Functions
Venue: Conference NeurIPS 2020
Year: 2020

Differentiation lies at the core of many machine-learning algorithms, and is well-supported by popular autodiff systems, such as TensorFlow and PyTorch. Originally, these systems have been developed to compute derivatives of differentiable functions, but in practice, they are commonly applied to functions with non-differentiabilities. For instance, neural networks using ReLU define non-differentiable functions in general, but the gradients of losses involving those functions are computed using autodiff systems in practice. This status quo raises a natural question: are autodiff systems correct in any formal sense when they are applied to such non-differentiable functions? In this paper, we provide a positive answer to this question. Using counterexamples, we first point out flaws in often-used informal arguments, such as: non-differentiabilities arising in deep learning do not cause any issues because they form a measure-zero set. We then investigate a class of functions, called PAP functions, that includes nearly all (possibly non-differentiable) functions in deep learning nowadays. For these PAP functions, we propose a new type of derivatives, called intensional derivatives, and prove that these derivatives always exist and coincide with standard derivatives for almost all inputs. We also show that these intensional derivatives are what most autodiff systems compute or try to compute essentially. In this way, we formally establish the correctness of autodiff systems applied to non-differentiable functions.
Probabilistic Linear Solvers for Machine Learning
Venue: Conference NeurIPS 2020
Year: 2020

Linear systems are the bedrock of virtually all numerical computation. Machine learning poses specific challenges for the solution of such systems due to their scale, characteristic structure, stochasticity and the central role of uncertainty in the field. Unifying earlier work we propose a class of probabilistic linear solvers which jointly infer the matrix, its inverse and the solution from matrix-vector product observations. This class emerges from a fundamental set of desiderata which constrains the space of possible algorithms and recovers the method of conjugate gradients under certain conditions. We demonstrate how to incorporate prior spectral information in order to calibrate uncertainty and experimentally showcase the potential of such solvers for machine learning.
Dynamic Regret of Policy Optimization in Non-Stationary Environments
Venue: Conference NeurIPS 2020
Year: 2020

We consider reinforcement learning (RL) in episodic MDPs with adversarial full-information reward feedback and unknown fixed transition kernels. We propose two model-free policy optimization algorithms, POWER and POWER++, and establish guarantees for their dynamic regret. Compared with the classical notion of static regret, dynamic regret is a stronger notion as it explicitly accounts for the non-stationarity of environments. The dynamic regret attained by the proposed algorithms interpolates between different regimes of non-stationarity, and moreover satisfies a notion of adaptive (near-)optimality, in the sense that it matches the (near-)optimal static regret under slow-changing environments. The dynamic regret bound features two components, one arising from exploration, which deals with the uncertainty of transition kernels, and the other arising from adaptation, which deals with non-stationary environments. Specifically, we show that POWER++ improves over POWER on the second component of the dynamic regret by actively adapting to non-stationarity through prediction. To the best of our knowledge, our work is the first dynamic regret analysis of model-free RL algorithms in non-stationary environments.
Multipole Graph Neural Operator for Parametric Partial Differential Equations
Venue: Conference NeurIPS 2020
Year: 2020

One of the main challenges in using deep learning-based methods for simulating physical systems and solving partial differential equations (PDEs) is formulating physics-based data in the desired structure for neural networks. Graph neural networks (GNNs) have gained popularity in this area since graphs offer a natural way of modeling particle interactions and provide a clear way of discretizing the continuum models. However, the graphs constructed for approximating such tasks usually ignore long-range interactions due to unfavorable scaling of the computational complexity with respect to the number of nodes. The errors due to these approximations scale with the discretization of the system, thereby not allowing for generalization under mesh-refinement. Inspired by the classical multipole methods, we propose a novel multi-level graph neural network framework that captures interaction at all ranges with only linear complexity. Our multi-level formulation is equivalent to recursively adding inducing points to the kernel matrix, unifying GNNs with multi-resolution matrix factorization of the kernel. Experiments confirm our multi-graph network learns discretization-invariant solution operators to PDEs and can be evaluated in linear time.
BlockGAN: Learning 3D Object-aware Scene Representations from Unlabelled Images
Venue: Conference NeurIPS 2020
Year: 2020

We present BlockGAN, an image generative model that learns object-aware 3D scene representations directly from unlabelled 2D images. Current work on scene representation learning either ignores scene background or treats the whole scene as one object. Meanwhile, work that considers scene compositionality treats scene objects only as image patches or 2D layers with alpha maps. Inspired by the computer graphics pipeline, we design BlockGAN to learn to first generate 3D features of background and foreground objects, then combine them into 3D features for the wholes cene, and finally render them into realistic images. This allows BlockGAN to reason over occlusion and interaction between objects' appearance, such as shadow and lighting, and provides control over each object's 3D pose and identity, while maintaining image realism. BlockGAN is trained end-to-end, using only unlabelled single images, without the need for 3D geometry, pose labels, object masks, or multiple views of the same scene. Our experiments show that using explicit 3D features to represent objects allows BlockGAN to learn disentangled representations both in terms of objects (foreground and background) and their properties (pose and identity).
Online Structured Meta-learning
Venue: Conference NeurIPS 2020
Year: 2020

Learning quickly is of great importance for machine intelligence deployed in online platforms. With the capability of transferring knowledge from learned tasks, meta-learning has shown its effectiveness in online scenarios by continuously updating the model with the learned prior. However, current online meta-learning algorithms are limited to learn a globally-shared meta-learner, which may lead to sub-optimal results when the tasks contain heterogeneous information that are distinct by nature and difficult to share. We overcome this limitation by proposing an online structured meta-learning (OSML) framework. Inspired by the knowledge organization of human and hierarchical feature representation, OSML explicitly disentangles the meta-learner as a meta-hierarchical graph with different knowledge blocks. When a new task is encountered, it constructs a meta-knowledge pathway by either utilizing the most relevant knowledge blocks or exploring new blocks. Through the meta-knowledge pathway, the model is able to quickly adapt to the new task. In addition, new knowledge is further incorporated into the selected blocks. Experiments on three datasets demonstrate the effectiveness and interpretability of our proposed framework in the context of both homogeneous and heterogeneous tasks.
What Makes for Good Views for Contrastive Learning?
Venue: Conference NeurIPS 2020
Year: 2020

Contrastive learning between multiple views of the data has recently achieved state of the art performance in the field of self-supervised representation learning. Despite its success, the influence of different view choices has been less studied. In this paper, we use theoretical and empirical analysis to better understand the importance of view selection, and argue that we should reduce the mutual information (MI) between views while keeping task-relevant information intact. To verify this hypothesis, we devise unsupervised and semi-supervised frameworks that learn effective views by aiming to reduce their MI. We also consider data augmentation as a way to reduce MI, and show that increasing data augmentation indeed leads to decreasing MI and improves downstream classification accuracy. As a by-product, we achieve a new state-of-the-art accuracy on unsupervised pre-training for ImageNet classification ($73\%$ top-1 linear readout with a ResNet-50). In addition, transferring our models to PASCAL VOC object detection and COCO instance segmentation consistently outperforms supervised pre-training. Code:http://github.com/HobbitLong/PyContrast
Denoising Diffusion Probabilistic Models
Venue: Conference NeurIPS 2020
Year: 2020

We present high quality image synthesis results using diffusion probabilistic models, a class of latent variable models inspired by considerations from nonequilibrium thermodynamics. Our best results are obtained by training on a weighted variational bound designed according to a novel connection between diffusion probabilistic models and denoising score matching with Langevin dynamics, and our models naturally admit a progressive lossy decompression scheme that can be interpreted as a generalization of autoregressive decoding. On the unconditional CIFAR10 dataset, we obtain an Inception score of 9.46 and a state-of-the-art FID score of 3.17. On 256x256 LSUN, we obtain sample quality similar to ProgressiveGAN. Our implementation is available at https://github.com/hojonathanho/diffusion
Barking up the right tree: an approach to search over molecule synthesis DAGs
Venue: Conference NeurIPS 2020
Year: 2020

When designing new molecules with particular properties, it is not only important what to make but crucially how to make it. These instructions form a synthesis directed acyclic graph (DAG), describing how a large vocabulary of simple building blocks can be recursively combined through chemical reactions to create more complicated molecules of interest. In contrast, many current deep generative models for molecules ignore synthesizability. We therefore propose a deep generative model that better represents the real world process, by directly outputting molecule synthesis DAGs. We argue that this provides sensible inductive biases, ensuring that our model searches over the same chemical space that chemists would also have access to, as well as interpretability. We show that our approach is able to model chemical space well, producing a wide range of diverse molecules, and allows for unconstrained optimization of an inherently constrained problem: maximize certain chemical properties such that discovered molecules are synthesizable.