OpenRaiser/Intern-Atlas huggingface dataset:
Effective and Efficient Vote Attack on Capsule Networks
Venue: Conference ICLR 2021
Year: 2021

Standard Convolutional Neural Networks (CNNs) can be easily fooled by images with small quasi-imperceptible artificial perturbations. As alternatives to CNNs, the recently proposed Capsule Networks (CapsNets) are shown to be more robust to white-box attacks than CNNs under popular attack protocols. Besides, the class-conditional reconstruction part of CapsNets is also used to detect adversarial examples. In this work, we investigate the adversarial robustness of CapsNets, especially how the inner workings of CapsNets change when the output capsules are attacked. The first observation is that adversarial examples misled CapsNets by manipulating the votes from primary capsules. Another observation is the high computational cost, when we directly apply multi-step attack methods designed for CNNs to attack CapsNets, due to the computationally expensive routing mechanism. Motivated by these two observations, we propose a novel vote attack where we attack votes of CapsNets directly. Our vote attack is not only effective but also efficient by circumventing the routing process. Furthermore, we integrate our vote attack into the detection-aware attack paradigm, which can successfully bypass the class-conditional reconstruction based detection method. Extensive experiments demonstrate the superior attack performance of our vote attack on CapsNets.
GraphCodeBERT: Pre-training Code Representations with Data Flow
Venue: Conference ICLR 2021
Year: 2021

Pre-trained models for programming language have achieved dramatic empirical improvements on a variety of code-related tasks such as code search, code completion, code summarization, etc. However, existing pre-trained models regard a code snippet as a sequence of tokens, while ignoring the inherent structure of code, which provides crucial code semantics and would enhance the code understanding process. We present GraphCodeBERT, a pre-trained model for programming language that considers the inherent structure of code. Instead of taking syntactic-level structure of code like abstract syntax tree (AST), we use data flow in the pre-training stage, which is a semantic-level structure of code that encodes the relation of "where-the-value-comes-from" between variables. Such a semantic-level structure is neat and does not bring an unnecessarily deep hierarchy of AST, the property of which makes the model more efficient. We develop GraphCodeBERT based on Transformer. In addition to using the task of masked language modeling, we introduce two structure-aware pre-training tasks. One is to predict code structure edges, and the other is to align representations between source code and code structure. We implement the model in an efficient way with a graph-guided masked attention function to incorporate the code structure. We evaluate our model on four tasks, including code search, clone detection, code translation, and code refinement. Results show that code structure and newly introduced pre-training tasks can improve GraphCodeBERT and achieves state-of-the-art performance on the four downstream tasks. We further show that the model prefers structure-level attentions over token-level attentions in the task of code search.
Calibration of Neural Networks using Splines
Venue: Conference ICLR 2021
Year: 2021

Calibrating neural networks is of utmost importance when employing them in safety-critical applications where the downstream decision making depends on the predicted probabilities. Measuring calibration error amounts to comparing two empirical distributions. In this work, we introduce a binning-free calibration measure inspired by the classical Kolmogorov-Smirnov (KS) statistical test in which the main idea is to compare the respective cumulative probability distributions. From this, by approximating the empirical cumulative distribution using a differentiable function via splines, we obtain a recalibration function, which maps the network outputs to actual (calibrated) class assignment probabilities. The spine-fitting is performed using a held-out calibration set and the obtained recalibration function is evaluated on an unseen test set. We tested our method against existing calibration approaches on various image classification datasets and our spline-based recalibration approach consistently outperforms existing methods on KS error as well as other commonly used calibration measures. Our Code is available at https://github.com/kartikgupta-at-anu/spline-calibration.
Gauge Equivariant Mesh CNNs: Anisotropic convolutions on geometric graphs
Venue: Conference ICLR 2021
Year: 2021

A common approach to define convolutions on meshes is to interpret them as a graph and apply graph convolutional networks (GCNs). Such GCNs utilize isotropic kernels and are therefore insensitive to the relative orientation of vertices and thus to the geometry of the mesh as a whole. We propose Gauge Equivariant Mesh CNNs which generalize GCNs to apply anisotropic gauge equivariant kernels. Since the resulting features carry orientation information, we introduce a geometric message passing scheme defined by parallel transporting features over mesh edges. Our experiments validate the significantly improved expressivity of the proposed model over conventional GCNs and other methods.
A Critique of Self-Expressive Deep Subspace Clustering
Venue: Conference ICLR 2021
Year: 2021

Subspace clustering is an unsupervised clustering technique designed to cluster data that is supported on a union of linear subspaces, with each subspace defining a cluster with dimension lower than the ambient space. Many existing formulations for this problem are based on exploiting the self-expressive property of linear subspaces, where any point within a subspace can be represented as linear combination of other points within the subspace. To extend this approach to data supported on a union of non-linear manifolds, numerous studies have proposed learning an embedding of the original data using a neural network which is regularized by a self-expressive loss function on the data in the embedded space to encourage a union of linear subspaces prior on the data in the embedded space. Here we show that there are a number of potential flaws with this approach which have not been adequately addressed in prior work. In particular, we show the model formulation is often ill-posed in that it can lead to a degenerate embedding of the data, which need not correspond to a union of subspaces at all and is poorly suited for clustering. We validate our theoretical results experimentally and also repeat prior experiments reported in the literature, where we conclude that a significant portion of the previously claimed performance benefits can be attributed to an ad-hoc post processing step rather than the deep subspace clustering model.
Teaching Temporal Logics to Neural Networks
Venue: Conference ICLR 2021
Year: 2021

We study two fundamental questions in neuro-symbolic computing: can deep learning tackle challenging problems in logics end-to-end, and can neural networks learn the semantics of logics. In this work we focus on linear-time temporal logic (LTL), as it is widely used in verification. We train a Transformer on the problem to directly predict a solution, i.e. a trace, to a given LTL formula. The training data is generated with classical solvers, which, however, only provide one of many possible solutions to each formula. We demonstrate that it is sufficient to train on those particular solutions to formulas, and that Transformers can predict solutions even to formulas from benchmarks from the literature on which the classical solver timed out. Transformers also generalize to the semantics of the logics: while they often deviate from the solutions found by the classical solvers, they still predict correct solutions to most formulas.
On the role of planning in model-based deep reinforcement learning
Venue: Conference ICLR 2021
Year: 2021

Model-based planning is often thought to be necessary for deep, careful reasoning and generalization in artificial agents. While recent successes of model-based reinforcement learning (MBRL) with deep function approximation have strengthened this hypothesis, the resulting diversity of model-based methods has also made it difficult to track which components drive success and why. In this paper, we seek to disentangle the contributions of recent methods by focusing on three questions: (1) How does planning benefit MBRL agents? (2) Within planning, what choices drive performance? (3) To what extent does planning improve generalization? To answer these questions, we study the performance of MuZero (Schrittwieser et al., 2019), a state-of-the-art MBRL algorithm with strong connections and overlapping components with many other MBRL algorithms. We perform a number of interventions and ablations of MuZero across a wide range of environments, including control tasks, Atari, and 9x9 Go. Our results suggest the following: (1) Planning is most useful in the learning process, both for policy updates and for providing a more useful data distribution. (2) Using shallow trees with simple Monte-Carlo rollouts is as performant as more complex methods, except in the most difficult reasoning tasks. (3) Planning alone is insufficient to drive strong generalization. These results indicate where and how to utilize planning in reinforcement learning settings, and highlight a number of open questions for future MBRL research.
Disentangled Recurrent Wasserstein Autoencoder
Venue: Conference ICLR 2021
Year: 2021

Learning disentangled representations leads to interpretable models and facilitates data generation with style transfer, which has been extensively studied on static data such as images in an unsupervised learning framework. However, only a few works have explored unsupervised disentangled sequential representation learning due to challenges of generating sequential data. In this paper, we propose recurrent Wasserstein Autoencoder (R-WAE), a new framework for generative modeling of sequential data. R-WAE disentangles the representation of an input sequence into static and dynamic factors (i.e., time-invariant and time-varying parts). Our theoretical analysis shows that, R-WAE minimizes an upper bound of a penalized form of the Wasserstein distance between model distribution and sequential data distribution, and simultaneously maximizes the mutual information between input data and different disentangled latent factors, respectively. This is superior to (recurrent) VAE which does not explicitly enforce mutual information maximization between input data and disentangled latent representations. When the number of actions in sequential data is available as weak supervision information, R-WAE is extended to learn a categorical latent representation of actions to improve its disentanglement. Experiments on a variety of datasets show that our models outperform other baselines with the same settings in terms of disentanglement and unconditional video generation both quantitatively and qualitatively.
Trusted Multi-View Classification
Venue: Conference ICLR 2021
Year: 2021

Multi-view classification (MVC) generally focuses on improving classification accuracy by using information from different views, typically integrating them into a unified comprehensive representation for downstream tasks. However, it is also crucial to dynamically assess the quality of a view for different samples in order to provide reliable uncertainty estimations, which indicate whether predictions can be trusted. To this end, we propose a novel multi-view classification method, termed trusted multi-view classification, which provides a new paradigm for multi-view learning by dynamically integrating different views at an evidence level. The algorithm jointly utilizes multiple views to promote both classification reliability and robustness by integrating evidence from each view. To achieve this, the Dirichlet distribution is used to model the distribution of the class probabilities, parameterized with evidence from different views and integrated with the Dempster-Shafer theory. The unified learning framework induces accurate uncertainty and accordingly endows the model with both reliability and robustness for out-of-distribution samples. Extensive experimental results validate the effectiveness of the proposed model in accuracy, reliability and robustness.
Self-Supervised Policy Adaptation during Deployment
Venue: Conference ICLR 2021
Year: 2021

In most real world scenarios, a policy trained by reinforcement learning in one environment needs to be deployed in another, potentially quite different environment. However, generalization across different environments is known to be hard. A natural solution would be to keep training after deployment in the new environment, but this cannot be done if the new environment offers no reward signal. Our work explores the use of self-supervision to allow the policy to continue training after deployment without using any rewards. While previous methods explicitly anticipate changes in the new environment, we assume no prior knowledge of those changes yet still obtain significant improvements. Empirical evaluations are performed on diverse simulation environments from DeepMind Control suite and ViZDoom, as well as real robotic manipulation tasks in continuously changing environments, taking observations from an uncalibrated camera. Our method improves generalization in 31 out of 36 environments across various tasks and outperforms domain randomization on a majority of environments.
Estimating and Evaluating Regression Predictive Uncertainty in Deep Object Detectors
Venue: Conference ICLR 2021
Year: 2021

Predictive uncertainty estimation is an essential next step for the reliable deployment of deep object detectors in safety-critical tasks. In this work, we focus on estimating predictive distributions for bounding box regression output with variance networks. We show that in the context of object detection, training variance networks with negative log likelihood (NLL) can lead to high entropy predictive distributions regardless of the correctness of the output mean. We propose to use the energy score as a non-local proper scoring rule and find that when used for training, the energy score leads to better calibrated and lower entropy predictive distributions than NLL. We also address the widespread use of non-proper scoring metrics for evaluating predictive distributions from deep object detectors by proposing an alternate evaluation approach founded on proper scoring rules. Using the proposed evaluation tools, we show that although variance networks can be used to produce high quality predictive distributions, ad-hoc approaches used by seminal object detectors for choosing regression targets during training do not provide wide enough data support for reliable variance learning. We hope that our work helps shift evaluation in probabilistic object detection to better align with predictive uncertainty evaluation in other machine learning domains. Code for all models, evaluation, and datasets is available at: https://github.com/asharakeh/probdet.git.
Estimating informativeness of samples with Smooth Unique Information
Venue: Conference ICLR 2021
Year: 2021

We define a notion of information that an individual sample provides to the training of a neural network, and we specialize it to measure both how much a sample informs the final weights and how much it informs the function computed by the weights. Though related, we show that these quantities have a qualitatively different behavior. We give efficient approximations of these quantities using a linearized network and demonstrate empirically that the approximation is accurate for real-world architectures, such as pre-trained ResNets. We apply these measures to several problems, such as dataset summarization, analysis of under-sampled classes, comparison of informativeness of different data sources, and detection of adversarial and corrupted examples. Our work generalizes existing frameworks but enjoys better computational properties for heavily over-parametrized models, which makes it possible to apply it to real-world networks.
Training independent subnetworks for robust prediction
Venue: Conference ICLR 2021
Year: 2021

Recent approaches to efficiently ensemble neural networks have shown that strong robustness and uncertainty performance can be achieved with a negligible gain in parameters over the original network. However, these methods still require multiple forward passes for prediction, leading to a significant computational cost. In this work, we show a surprising result: the benefits of using multiple predictions can be achieved `for free' under a single model's forward pass. In particular, we show that, using a multi-input multi-output (MIMO) configuration, one can utilize a single model's capacity to train multiple subnetworks that independently learn the task at hand. By ensembling the predictions made by the subnetworks, we improve model robustness without increasing compute. We observe a significant improvement in negative log-likelihood, accuracy, and calibration error on CIFAR10, CIFAR100, ImageNet, and their out-of-distribution variants compared to previous methods.
A Discriminative Gaussian Mixture Model with Sparsity
Venue: Conference ICLR 2021
Year: 2021

In probabilistic classification, a discriminative model based on the softmax function has a potential limitation in that it assumes unimodality for each class in the feature space. The mixture model can address this issue, although it leads to an increase in the number of parameters. We propose a sparse classifier based on a discriminative GMM, referred to as a sparse discriminative Gaussian mixture (SDGM). In the SDGM, a GMM-based discriminative model is trained via sparse Bayesian learning. Using this sparse learning framework, we can simultaneously remove redundant Gaussian components and reduce the number of parameters used in the remaining components during learning; this learning method reduces the model complexity, thereby improving the generalization capability. Furthermore, the SDGM can be embedded into neural networks (NNs), such as convolutional NNs, and can be trained in an end-to-end manner. Experimental results demonstrated that the proposed method outperformed the existing softmax-based discriminative models.
Task-Agnostic Morphology Evolution
Venue: Conference ICLR 2021
Year: 2021

Deep reinforcement learning primarily focuses on learning behavior, usually overlooking the fact that an agent's function is largely determined by form. So, how should one go about finding a morphology fit for solving tasks in a given environment? Current approaches that co-adapt morphology and behavior use a specific task's reward as a signal for morphology optimization. However, this often requires expensive policy optimization and results in task-dependent morphologies that are not built to generalize. In this work, we propose a new approach, Task-Agnostic Morphology Evolution (TAME), to alleviate both of these issues. Without any task or reward specification, TAME evolves morphologies by only applying randomly sampled action primitives on a population of agents. This is accomplished using an information-theoretic objective that efficiently ranks agents by their ability to reach diverse states in the environment and the causality of their actions. Finally, we empirically demonstrate that across 2D, 3D, and manipulation environments TAME can evolve morphologies that match the multi-task performance of those learned with task supervised algorithms. Our code and videos can be found at https://sites.google.com/view/task-agnostic-evolution.
Measuring Massive Multitask Language Understanding
Venue: Conference ICLR 2021
Year: 2021

We propose a new test to measure a text model's multitask accuracy. The test covers 57 tasks including elementary mathematics, US history, computer science, law, and more. To attain high accuracy on this test, models must possess extensive world knowledge and problem solving ability. We find that while most recent models have near random-chance accuracy, the very largest GPT-3 model improves over random chance by almost 20 percentage points on average. However, on every one of the 57 tasks, the best models still need substantial improvements before they can reach expert-level accuracy. Models also have lopsided performance and frequently do not know when they are wrong. Worse, they still have near-random accuracy on some socially important subjects such as morality and law. By comprehensively evaluating the breadth and depth of a model's academic and professional understanding, our test can be used to analyze models across many tasks and to identify important shortcomings.
AdamP: Slowing Down the Slowdown for Momentum Optimizers on Scale-invariant Weights
Venue: Conference ICLR 2021
Year: 2021

Normalization techniques are a boon for modern deep learning. They let weights converge more quickly with often better generalization performances. It has been argued that the normalization-induced scale invariance among the weights provides an advantageous ground for gradient descent (GD) optimizers: the effective step sizes are automatically reduced over time, stabilizing the overall training procedure. It is often overlooked, however, that the additional introduction of momentum in GD optimizers results in a far more rapid reduction in effective step sizes for scale-invariant weights, a phenomenon that has not yet been studied and may have caused unwanted side effects in the current practice. This is a crucial issue because arguably the vast majority of modern deep neural networks consist of (1) momentum-based GD (e.g. SGD or Adam) and (2) scale-invariant parameters. In this paper, we verify that the widely-adopted combination of the two ingredients lead to the premature decay of effective step sizes and sub-optimal model performances. We propose a simple and effective remedy, SGDP and AdamP: get rid of the radial component, or the norm-increasing direction, at each optimizer step. Because of the scale invariance, this modification only alters the effective step sizes without changing the effective update directions, thus enjoying the original convergence properties of GD optimizers. Given the ubiquity of momentum GD and scale invariance in machine learning, we have evaluated our methods against the baselines on 13 benchmarks. They range from vision tasks like classification (e.g. ImageNet), retrieval (e.g. CUB and SOP), and detection (e.g. COCO) to language modelling (e.g. WikiText) and audio classification (e.g. DCASE) tasks. We verify that our solution brings about uniform gains in those benchmarks. Source code is available at https://github.com/clovaai/AdamP.
Intrinsic-Extrinsic Convolution and Pooling for Learning on 3D Protein Structures
Venue: Conference ICLR 2021
Year: 2021

Proteins perform a large variety of functions in living organisms, thus playing a key role in biology. As of now, available learning algorithms to process protein data do not consider several particularities of such data and/or do not scale well for large protein conformations. To fill this gap, we propose two new learning operations enabling deep 3D analysis of large-scale protein data. First, we introduce a novel convolution operator which considers both, the intrinsic (invariant under protein folding) as well as extrinsic (invariant under bonding) structure, by using $n$-D convolutions defined on both the Euclidean distance, as well as multiple geodesic distances between atoms in a multi-graph. Second, we enable a multi-scale protein analysis by introducing hierarchical pooling operators, exploiting the fact that proteins are a recombination of a finite set of amino acids, which can be pooled using shared pooling matrices. Lastly, we evaluate the accuracy of our algorithms on several large-scale data sets for common protein analysis tasks, where we outperform state-of-the-art methods.