OpenRaiser/Intern-Atlas huggingface dataset:
Hybrid Models for Learning to Branch
Venue: Conference NeurIPS 2020
Year: 2020

A recent Graph Neural Network (GNN) approach for learning to branch has been shown to successfully reduce the running time of branch-and-bound algorithms for Mixed Integer Linear Programming (MILP). While the GNN relies on a GPU for inference, MILP solvers are purely CPU-based. This severely limits its application as many practitioners may not have access to high-end GPUs. In this work, we ask two key questions. First, in a more realistic setting where only a CPU is available, is the GNN model still competitive? Second, can we devise an alternate computationally inexpensive model that retains the predictive power of the GNN architecture? We answer the first question in the negative, and address the second question by proposing a new hybrid architecture for efficient branching on CPU machines. The proposed architecture combines the expressive power of GNNs with computationally inexpensive multi-layer perceptrons (MLP) for branching. We evaluate our methods on four classes of MILP problems, and show that they lead to up to 26% reduction in solver running time compared to state-of-the-art methods without a GPU, while extrapolating to harder problems than it was trained on. The code for this project is publicly available at https://github.com/pg2455/Hybrid-learn2branch.
WoodFisher: Efficient Second-Order Approximation for Neural Network Compression
Venue: Conference NeurIPS 2020
Year: 2020

Second-order information, in the form of Hessian- or Inverse-Hessian-vector products, is a fundamental tool for solving optimization problems. Recently, there has been significant interest in utilizing this information in the context of deep neural networks; however, relatively little is known about the quality of existing approximations in this context. Our work examines this question, identifies issues with existing approaches, and proposes a method called WoodFisher to compute a faithful and efficient estimate of the inverse Hessian. Our main application is to neural network compression, where we build on the classic Optimal Brain Damage/Surgeon framework. We demonstrate that WoodFisher significantly outperforms popular state-of-the-art methods for one-shot pruning. Further, even when iterative, gradual pruning is considered, our method results in a gain in test accuracy over the state-of-the-art approaches, for pruning popular neural networks (like ResNet-50, MobileNetV1) trained on standard image classification datasets such as ImageNet ILSVRC. We examine how our method can be extended to take into account first-order information, as well as illustrate its ability to automatically set layer-wise pruning thresholds and perform compression in the limited-data regime. The code is available at the following link, https://github.com/IST-DASLab/WoodFisher.
Bi-level Score Matching for Learning Energy-based Latent Variable Models
Venue: Conference NeurIPS 2020
Year: 2020

Score matching (SM) provides a compelling approach to learn energy-based models (EBMs) by avoiding the calculation of partition function. However, it remains largely open to learn energy-based latent variable models (EBLVMs), except some special cases. This paper presents a bi-level score matching (BiSM) method to learn EBLVMs with general structures by reformulating SM as a bi-level optimization problem. The higher level introduces a variational posterior of the latent variables and optimizes a modified SM objective, and the lower level optimizes the variational posterior to fit the true posterior. To solve BiSM efficiently, we develop a stochastic optimization algorithm with gradient unrolling. Theoretically, we analyze the consistency of BiSM and the convergence of the stochastic algorithm. Empirically, we show the promise of BiSM in Gaussian restricted Boltzmann machines and highly nonstructural EBLVMs parameterized by deep convolutional neural networks. BiSM is comparable to the widely adopted contrastive divergence and SM methods when they are applicable; and can learn complex EBLVMs with intractable posteriors to generate natural images.
Decision trees as partitioning machines to characterize their generalization properties
Venue: Conference NeurIPS 2020
Year: 2020

Decision trees are popular machine learning models that are simple to build and easy to interpret. Even though algorithms to learn decision trees date back to almost 50 years, key properties affecting their generalization error are still weakly bounded. Hence, we revisit binary decision trees on real-valued features from the perspective of partitions of the data. We introduce the notion of partitioning function, and we relate it to the growth function and to the VC dimension. Using this new concept, we are able to find the exact VC dimension of decision stumps, which is given by the largest integer $d$ such that $2\ell \ge \binom{d}{\left\lfloor\frac{d}{2}\right\rfloor}$, where $\ell$ is the number of real-valued features. We provide a recursive expression to bound the partitioning functions, resulting in a upper bound on the growth function of any decision tree structure. This allows us to show that the VC dimension of a binary tree structure with $N$ internal nodes is of order $N \log(N\ell)$. Finally, we elaborate a pruning algorithm based on these results that performs better than the CART algorithm on a number of datasets, with the advantage that no cross-validation is required.
Learning to Prove Theorems by Learning to Generate Theorems
Venue: Conference NeurIPS 2020
Year: 2020

We consider the task of automated theorem proving, a key AI task. Deep learning has shown promise for training theorem provers, but there are limited human-written theorems and proofs available for supervised learning. To address this limitation, we propose to learn a neural generator that automatically synthesizes theorems and proofs for the purpose of training a theorem prover. Experiments on real-world tasks demonstrate that synthetic data from our approach improves the theorem prover and advances the state of the art of automated theorem proving in Metamath. Code is available at https://github.com/princeton-vl/MetaGen.
3D Self-Supervised Methods for Medical Imaging
Venue: Conference NeurIPS 2020
Year: 2020

Self-supervised learning methods have witnessed a recent surge of interest after proving successful in multiple application fields. In this work, we leverage these techniques, and we propose 3D versions for five different self-supervised methods, in the form of proxy tasks. Our methods facilitate neural network feature learning from unlabeled 3D images, aiming to reduce the required cost for expert annotation. The developed algorithms are 3D Contrastive Predictive Coding, 3D Rotation prediction, 3D Jigsaw puzzles, Relative 3D patch location, and 3D Exemplar networks. Our experiments show that pretraining models with our 3D tasks yields more powerful semantic representations, and enables solving downstream tasks more accurately and efficiently, compared to training the models from scratch and to pretraining them on 2D slices. We demonstrate the effectiveness of our methods on three downstream tasks from the medical imaging domain: i) Brain Tumor Segmentation from 3D MRI, ii) Pancreas Tumor Segmentation from 3D CT, and iii) Diabetic Retinopathy Detection from 2D Fundus images. In each task, we assess the gains in data-efficiency, performance, and speed of convergence. Interestingly, we also find gains when transferring the learned representations, by our methods, from a large unlabeled 3D corpus to a small downstream-specific dataset. We achieve results competitive to state-of-the-art solutions at a fraction of the computational expense. We publish our implementations for the developed algorithms (both 3D and 2D versions) as an open-source library, in an effort to allow other researchers to apply and extend our methods on their datasets.
Worst-Case Analysis for Randomly Collected Data
Venue: Conference NeurIPS 2020
Year: 2020

We introduce a framework for statistical estimation that leverages knowledge of how samples are collected but makes no distributional assumptions on the data values. Specifically, we consider a population of elements $[n]={1,\ldots,n}$ with corresponding data values $x_1,\ldots,x_n$. We observe the values for a "sample" set $A \subset [n]$ and wish to estimate some statistic of the values for a "target" set $B \subset [n]$ where $B$ could be the entire set. Crucially, we assume that the sets $A$ and $B$ are drawn according to some known distribution $P$ over pairs of subsets of $[n]$. A given estimation algorithm is evaluated based on its "worst-case, expected error" where the expectation is with respect to the distribution $P$ from which the sample $A$ and target sets $B$ are drawn, and the worst-case is with respect to the data values $x_1,\ldots,x_n$. Within this framework, we give an efficient algorithm for estimating the target mean that returns a weighted combination of the sample values--where the weights are functions of the distribution $P$ and the sample and target sets $A$, $B$--and show that the worst-case expected error achieved by this algorithm is at most a multiplicative $π/2$ factor worse than the optimal of such algorithms. The algorithm and proof leverage a surprising connection to the Grothendieck problem. This framework, which makes no distributional assumptions on the data values but rather relies on knowledge of the data collection process, is a significant departure from typical estimation and introduces a uniform algorithmic analysis for the many natural settings where membership in a sample may be correlated with data values, such as when sampling probabilities vary as in "importance sampling", when individuals are recruited into a sample via a social network as in "snowball sampling", or when samples have chronological structure as in "selective prediction".
Truthful Data Acquisition via Peer Prediction
Venue: Conference NeurIPS 2020
Year: 2020

We consider the problem of purchasing data for machine learning or statistical estimation. The data analyst has a budget to purchase datasets from multiple data providers. She does not have any test data that can be used to evaluate the collected data and can assign payments to data providers solely based on the collected datasets. We consider the problem in the standard Bayesian paradigm and in two settings: (1) data are only collected once; (2) data are collected repeatedly and each day's data are drawn independently from the same distribution. For both settings, our mechanisms guarantee that truthfully reporting one's dataset is always an equilibrium by adopting techniques from peer prediction: pay each provider the mutual information between his reported data and other providers' reported data. Depending on the data distribution, the mechanisms can also discourage misreports that would lead to inaccurate predictions. Our mechanisms also guarantee individual rationality and budget feasibility for certain underlying distributions in the first setting and for all distributions in the second setting.
Learning Robust Decision Policies from Observational Data
Venue: Conference NeurIPS 2020
Year: 2020

We address the problem of learning a decision policy from observational data of past decisions in contexts with features and associated outcomes. The past policy maybe unknown and in safety-critical applications, such as medical decision support, it is of interest to learn robust policies that reduce the risk of outcomes with high costs. In this paper, we develop a method for learning policies that reduce tails of the cost distribution at a specified level and, moreover, provide a statistically valid bound on the cost of each decision. These properties are valid under finite samples -- even in scenarios with uneven or no overlap between features for different decisions in the observed data -- by building on recent results in conformal prediction. The performance and statistical properties of the proposed method are illustrated using both real and synthetic data.
Improving model calibration with accuracy versus uncertainty optimization
Venue: Conference NeurIPS 2020
Year: 2020

Obtaining reliable and accurate quantification of uncertainty estimates from deep neural networks is important in safety-critical applications. A well-calibrated model should be accurate when it is certain about its prediction and indicate high uncertainty when it is likely to be inaccurate. Uncertainty calibration is a challenging problem as there is no ground truth available for uncertainty estimates. We propose an optimization method that leverages the relationship between accuracy and uncertainty as an anchor for uncertainty calibration. We introduce a differentiable accuracy versus uncertainty calibration (AvUC) loss function that allows a model to learn to provide well-calibrated uncertainties, in addition to improved accuracy. We also demonstrate the same methodology can be extended to post-hoc uncertainty calibration on pretrained models. We illustrate our approach with mean-field stochastic variational inference and compare with state-of-the-art methods. Extensive experiments demonstrate our approach yields better model calibration than existing methods on large-scale image classification tasks under distributional shift.
The Convolution Exponential and Generalized Sylvester Flows
Venue: Conference NeurIPS 2020
Year: 2020

This paper introduces a new method to build linear flows, by taking the exponential of a linear transformation. This linear transformation does not need to be invertible itself, and the exponential has the following desirable properties: it is guaranteed to be invertible, its inverse is straightforward to compute and the log Jacobian determinant is equal to the trace of the linear transformation. An important insight is that the exponential can be computed implicitly, which allows the use of convolutional layers. Using this insight, we develop new invertible transformations named convolution exponentials and graph convolution exponentials, which retain the equivariance of their underlying transformations. In addition, we generalize Sylvester Flows and propose Convolutional Sylvester Flows which are based on the generalization and the convolution exponential as basis change. Empirically, we show that the convolution exponential outperforms other linear transformations in generative flows on CIFAR10 and the graph convolution exponential improves the performance of graph normalizing flows. In addition, we show that Convolutional Sylvester Flows improve performance over residual flows as a generative flow model measured in log-likelihood.
The MAGICAL Benchmark for Robust Imitation
Venue: Conference NeurIPS 2020
Year: 2020

Imitation Learning (IL) algorithms are typically evaluated in the same environment that was used to create demonstrations. This rewards precise reproduction of demonstrations in one particular environment, but provides little information about how robustly an algorithm can generalise the demonstrator's intent to substantially different deployment settings. This paper presents the MAGICAL benchmark suite, which permits systematic evaluation of generalisation by quantifying robustness to different kinds of distribution shift that an IL algorithm is likely to encounter in practice. Using the MAGICAL suite, we confirm that existing IL algorithms overfit significantly to the context in which demonstrations are provided. We also show that standard methods for reducing overfitting are effective at creating narrow perceptual invariances, but are not sufficient to enable transfer to contexts that require substantially different behaviour, which suggests that new approaches will be needed in order to robustly generalise demonstrator intent. Code and data for the MAGICAL suite is available at https://github.com/qxcv/magical/.
Making Non-Stochastic Control (Almost) as Easy as Stochastic
Venue: Conference NeurIPS 2020
Year: 2020

Recent literature has made much progress in understanding \emph{online LQR}: a modern learning-theoretic take on the classical control problem in which a learner attempts to optimally control an unknown linear dynamical system with fully observed state, perturbed by i.i.d. Gaussian noise. It is now understood that the optimal regret on time horizon $T$ against the optimal control law scales as $\widetildeΘ(\sqrt{T})$. In this paper, we show that the same regret rate (against a suitable benchmark) is attainable even in the considerably more general non-stochastic control model, where the system is driven by \emph{arbitrary adversarial} noise (Agarwal et al. 2019). In other words, \emph{stochasticity confers little benefit in online LQR}. We attain the optimal $\widetilde{\mathcal{O}}(\sqrt{T})$ regret when the dynamics are unknown to the learner, and $\mathrm{poly}(\log T)$ regret when known, provided that the cost functions are strongly convex (as in LQR). Our algorithm is based on a novel variant of online Newton step (Hazan et al. 2007), which adapts to the geometry induced by possibly adversarial disturbances, and our analysis hinges on generic "policy regret" bounds for certain structured losses in the OCO-with-memory framework (Anava et al. 2015). Moreover, our results accomodate the full generality of the non-stochastic control setting: adversarially chosen (possibly non-quadratic) costs, partial state observation, and fully adversarial process and observation noise.
BERT Loses Patience: Fast and Robust Inference with Early Exit
Venue: Conference NeurIPS 2020
Year: 2020

In this paper, we propose Patience-based Early Exit, a straightforward yet effective inference method that can be used as a plug-and-play technique to simultaneously improve the efficiency and robustness of a pretrained language model (PLM). To achieve this, our approach couples an internal-classifier with each layer of a PLM and dynamically stops inference when the intermediate predictions of the internal classifiers remain unchanged for a pre-defined number of steps. Our approach improves inference efficiency as it allows the model to make a prediction with fewer layers. Meanwhile, experimental results with an ALBERT model show that our method can improve the accuracy and robustness of the model by preventing it from overthinking and exploiting multiple classifiers for prediction, yielding a better accuracy-speed trade-off compared to existing early exit methods.
BAIL: Best-Action Imitation Learning for Batch Deep Reinforcement Learning
Venue: Conference NeurIPS 2020
Year: 2020

There has recently been a surge in research in batch Deep Reinforcement Learning (DRL), which aims for learning a high-performing policy from a given dataset without additional interactions with the environment. We propose a new algorithm, Best-Action Imitation Learning (BAIL), which strives for both simplicity and performance. BAIL learns a V function, uses the V function to select actions it believes to be high-performing, and then uses those actions to train a policy network using imitation learning. For the MuJoCo benchmark, we provide a comprehensive experimental study of BAIL, comparing its performance to four other batch Q-learning and imitation-learning schemes for a large variety of batch datasets. Our experiments show that BAIL's performance is much higher than the other schemes, and is also computationally much faster than the batch Q-learning schemes.
Regularizing Towards Permutation Invariance In Recurrent Models
Venue: Conference NeurIPS 2020
Year: 2020

In many machine learning problems the output should not depend on the order of the input. Such "permutation invariant" functions have been studied extensively recently. Here we argue that temporal architectures such as RNNs are highly relevant for such problems, despite the inherent dependence of RNNs on order. We show that RNNs can be regularized towards permutation invariance, and that this can result in compact models, as compared to non-recurrent architectures. We implement this idea via a novel form of stochastic regularization. Existing solutions mostly suggest restricting the learning problem to hypothesis classes which are permutation invariant by design. Our approach of enforcing permutation invariance via regularization gives rise to models which are \textit{semi permutation invariant} (e.g. invariant to some permutations and not to others). We show that our method outperforms other permutation invariant approaches on synthetic and real world datasets.
What Did You Think Would Happen? Explaining Agent Behaviour through Intended Outcomes
Venue: Conference NeurIPS 2020
Year: 2020

We present a novel form of explanation for Reinforcement Learning, based around the notion of intended outcome. These explanations describe the outcome an agent is trying to achieve by its actions. We provide a simple proof that general methods for post-hoc explanations of this nature are impossible in traditional reinforcement learning. Rather, the information needed for the explanations must be collected in conjunction with training the agent. We derive approaches designed to extract local explanations based on intention for several variants of Q-function approximation and prove consistency between the explanations and the Q-values learned. We demonstrate our method on multiple reinforcement learning problems, and provide code to help researchers introspecting their RL environments and algorithms.
What if Neural Networks had SVDs?
Venue: Conference NeurIPS 2020
Year: 2020

Various Neural Networks employ time-consuming matrix operations like matrix inversion. Many such matrix operations are faster to compute given the Singular Value Decomposition (SVD). Previous work allows using the SVD in Neural Networks without computing it. In theory, the techniques can speed up matrix operations, however, in practice, they are not fast enough. We present an algorithm that is fast enough to speed up several matrix operations. The algorithm increases the degree of parallelism of an underlying matrix multiplication $H\cdot X$ where $H$ is an orthogonal matrix represented by a product of Householder matrices. Code is available at www.github.com/AlexanderMath/fasth .
CoMIR: Contrastive Multimodal Image Representation for Registration
Venue: Conference NeurIPS 2020
Year: 2020

We propose contrastive coding to learn shared, dense image representations, referred to as CoMIRs (Contrastive Multimodal Image Representations). CoMIRs enable the registration of multimodal images where existing registration methods often fail due to a lack of sufficiently similar image structures. CoMIRs reduce the multimodal registration problem to a monomodal one, in which general intensity-based, as well as feature-based, registration algorithms can be applied. The method involves training one neural network per modality on aligned images, using a contrastive loss based on noise-contrastive estimation (InfoNCE). Unlike other contrastive coding methods, used for, e.g., classification, our approach generates image-like representations that contain the information shared between modalities. We introduce a novel, hyperparameter-free modification to InfoNCE, to enforce rotational equivariance of the learnt representations, a property essential to the registration task. We assess the extent of achieved rotational equivariance and the stability of the representations with respect to weight initialization, training set, and hyperparameter settings, on a remote sensing dataset of RGB and near-infrared images. We evaluate the learnt representations through registration of a biomedical dataset of bright-field and second-harmonic generation microscopy images; two modalities with very little apparent correlation. The proposed approach based on CoMIRs significantly outperforms registration of representations created by GAN-based image-to-image translation, as well as a state-of-the-art, application-specific method which takes additional knowledge about the data into account. Code is available at: https://github.com/MIDA-group/CoMIR.