ICLR 2021 论文列表

We construct an experimental setup in which changing the scale of initialization strongly impacts the implicit regularization induced by SGD, interpolating from good generalization performance to completely memorizing the training set while making little progress on the test set. Moreover, we find that the extent and manner in which generalization ability is affected depends on the activation and loss function used, with sin activation being the most extreme. In the case of the homogeneous ReLU activation, we show that this behavior can be attributed to the loss function. Our empirical investigation reveals that increasing the scale of initialization correlates with misalignment of representations and gradients across examples in the same class. This insight allows us to device an alignment measure over gradients and representations which can capture this phenomenon. We demonstrate that our alignment measure correlates with generalization of deep models trained on image classification tasks.

We propose the deep repulsive clustering (DRC) algorithm of ordered data for effective order learning. First, we develop the order-identity decomposition (ORID) network to divide the information of an object instance into an order-related feature and an identity feature. Then, we group object instances into clusters according to their identity features using a repulsive term. Moreover, we estimate the rank of a test instance, by comparing it with references within the same cluster. Experimental results on facial age estimation, aesthetic score regression, and historical color image classification show that the proposed algorithm can cluster ordered data effectively and also yield excellent rank estimation performance.

Recent research in dynamic convolution shows substantial performance boost for efficient CNNs, due to the adaptive aggregation of K static convolution kernels. It has two limitations: (a) it increases the number of convolutional weights by K-times, and (b) the joint optimization of dynamic attention and static convolution kernels is challenging. In this paper, we revisit it from a new perspective of matrix decomposition and reveal the key issue is that dynamic convolution applies dynamic attention over channel groups after projecting into a higher dimensional latent space. To address this issue, we propose dynamic channel fusion to replace dynamic attention over channel groups. Dynamic channel fusion not only enables significant dimension reduction of the latent space, but also mitigates the joint optimization difficulty. As a result, our method is easier to train and requires significantly fewer parameters without sacrificing accuracy. Source code is at https://github.com/liyunsheng13/dcd.

We propose a new probabilistic method for unsupervised recovery of corrupted data. Given a large ensemble of degraded samples, our method recovers accurate posteriors of clean values, allowing the exploration of the manifold of possible reconstructed data and hence characterising the underlying uncertainty. In this set-ting, direct application of classical variational methods often gives rise to collapsed densities that do not adequately explore the solution space. Instead, we derive our novel reduced entropy condition approximate inference method that results in rich posteriors. We test our model in a data recovery task under the common setting of missing values and noise, demonstrating superior performance to existing variational methods for imputation and de-noising with different real data sets. We further show higher classification accuracy after imputation, proving the advantage of propagating uncertainty to downstream tasks with our model.

Reinforcement learning provides a general framework for flexible decision making and control, but requires extensive data collection for each new task that an agent needs to learn. In other machine learning fields, such as natural language processing or computer vision, pre-training on large, previously collected datasets to bootstrap learning for new tasks has emerged as a powerful paradigm to reduce data requirements when learning a new task. In this paper, we ask the following question: how can we enable similarly useful pre-training for RL agents? We propose a method for pre-training behavioral priors that can capture complex input-output relationships observed in successful trials from a wide range of previously seen tasks, and we show how this learned prior can be used for rapidly learning new tasks without impeding the RL agent's ability to try out novel behaviors. We demonstrate the effectiveness of our approach in challenging robotic manipulation domains involving image observations and sparse reward functions, where our method outperforms prior works by a substantial margin. Additional materials can be found on our project website: https://sites.google.com/view/parrot-rl

We demonstrate that self-supervised language modeling applied to mathematical formulas enables logical reasoning. To measure the logical reasoning abilities of language models, we formulate several evaluation (downstream) tasks, such as inferring types, suggesting missing assumptions and completing equalities. For training language models for formal mathematics, we propose a novel skip-tree task. We find that models trained on the skip-tree task show surprisingly strong mathematical reasoning abilities, and outperform models trained on standard skip-sequence tasks. We also analyze the models' ability to formulate new conjectures by measuring how often the predictions are provable and useful in other proofs.

Sequence-to-sequence (seq2seq) learners are widely used, but we still have only limited knowledge about what inductive biases shape the way they generalize. We address that by investigating how popular seq2seq learners generalize in tasks that have high ambiguity in the training data. We use four new tasks to study learners' preferences for memorization, arithmetic, hierarchical, and compositional reasoning. Further, we connect to Solomonoff's theory of induction and propose to use description length as a principled and sensitive measure of inductive biases. In our experimental study, we find that LSTM-based learners can learn to perform counting, addition, and multiplication by a constant from a single training example. Furthermore, Transformer and LSTM-based learners show a bias toward the hierarchical induction over the linear one, while CNN-based learners prefer the opposite. The latter also show a bias toward a compositional generalization over memorization. Finally, across all our experiments, description length proved to be a sensitive measure of inductive biases.

While the Transformer architecture has become the de-facto standard for natural language processing tasks, its applications to computer vision remain limited. In vision, attention is either applied in conjunction with convolutional networks, or used to replace certain components of convolutional networks while keeping their overall structure in place. We show that this reliance on CNNs is not necessary and a pure transformer applied directly to sequences of image patches can perform very well on image classification tasks. When pre-trained on large amounts of data and transferred to multiple mid-sized or small image recognition benchmarks (ImageNet, CIFAR-100, VTAB, etc.), Vision Transformer (ViT) attains excellent results compared to state-of-the-art convolutional networks while requiring substantially fewer computational resources to train.

Transformer architectures have proven to learn useful representations for protein classification and generation tasks. However, these representations present challenges in interpretability. In this work, we demonstrate a set of methods for analyzing protein Transformer models through the lens of attention. We show that attention: (1) captures the folding structure of proteins, connecting amino acids that are far apart in the underlying sequence, but spatially close in the three-dimensional structure, (2) targets binding sites, a key functional component of proteins, and (3) focuses on progressively more complex biophysical properties with increasing layer depth. We find this behavior to be consistent across three Transformer architectures (BERT, ALBERT, XLNet) and two distinct protein datasets. We also present a three-dimensional visualization of the interaction between attention and protein structure. Code for visualization and analysis is available at https://github.com/salesforce/provis.

Adversarial poisoning attacks distort training data in order to corrupt the test-time behavior of a classifier. A provable defense provides a certificate for each test sample, which is a lower bound on the magnitude of any adversarial distortion of the training set that can corrupt the test sample's classification. We propose two novel provable defenses against poisoning attacks: (i) Deep Partition Aggregation (DPA), a certified defense against a general poisoning threat model, defined as the insertion or deletion of a bounded number of samples to the training set --- by implication, this threat model also includes arbitrary distortions to a bounded number of images and/or labels; and (ii) Semi-Supervised DPA (SS-DPA), a certified defense against label-flipping poisoning attacks. DPA is an ensemble method where base models are trained on partitions of the training set determined by a hash function. DPA is related to both subset aggregation, a well-studied ensemble method in classical machine learning, as well as to randomized smoothing, a popular provable defense against evasion (inference) attacks. Our defense against label-flipping poison attacks, SS-DPA, uses a semi-supervised learning algorithm as its base classifier model: each base classifier is trained using the entire unlabeled training set in addition to the labels for a partition. SS-DPA significantly outperforms the existing certified defense for label-flipping attacks (Rosenfeld et al., 2020) on both MNIST and CIFAR-10: provably tolerating, for at least half of test images, over 600 label flips (vs. < 200 label flips) on MNIST and over 300 label flips (vs. 175 label flips) on CIFAR-10. Against general poisoning attacks where no prior certified defenses exists, DPA can certify $\geq$ 50% of test images against over 500 poison image insertions on MNIST, and nine insertions on CIFAR-10. These results establish new state-of-the-art provable defenses against general and label-flipping poison attacks. Code is available at https://github.com/alevine0/DPA

We demonstrate that differentially private machine learning has not yet reached its ''AlexNet moment'' on many canonical vision tasks: linear models trained on handcrafted features significantly outperform end-to-end deep neural networks for moderate privacy budgets. To exceed the performance of handcrafted features, we show that private learning requires either much more private data, or access to features learned on public data from a similar domain. Our work introduces simple yet strong baselines for differentially private learning that can inform the evaluation of future progress in this area.

Training a fair machine learning model is essential to prevent demographic disparity. Existing techniques for improving model fairness require broad changes in either data preprocessing or model training, rendering themselves difficult-to-adopt for potentially already complex machine learning systems. We address this problem via the lens of bilevel optimization. While keeping the standard training algorithm as an inner optimizer, we incorporate an outer optimizer so as to equip the inner problem with an additional functionality: Adaptively selecting minibatch sizes for the purpose of improving model fairness. Our batch selection algorithm, which we call FairBatch, implements this optimization and supports prominent fairness measures: equal opportunity, equalized odds, and demographic parity. FairBatch comes with a significant implementation benefit -- it does not require any modification to data preprocessing or model training. For instance, a single-line change of PyTorch code for replacing batch selection part of model training suffices to employ FairBatch. Our experiments conducted both on synthetic and benchmark real data demonstrate that FairBatch can provide such functionalities while achieving comparable (or even greater) performances against the state of the arts. Furthermore, FairBatch can readily improve fairness of any pre-trained model simply via fine-tuning. It is also compatible with existing batch selection techniques intended for different purposes, such as faster convergence, thus gracefully achieving multiple purposes.

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.

Designing an incentive compatible auction that maximizes expected revenue is a central problem in Auction Design. While theoretical approaches to the problem have hit some limits, a recent research direction initiated by Duetting et al. (2019) consists in building neural network architectures to find optimal auctions. We propose two conceptual deviations from their approach which result in enhanced performance. First, we use recent results in theoretical auction design to introduce a time-independent Lagrangian. This not only circumvents the need for an expensive hyper-parameter search (as in prior work), but also provides a single metric to compare the performance of two auctions (absent from prior work). Second, the optimization procedure in previous work uses an inner maximization loop to compute optimal misreports. We amortize this process through the introduction of an additional neural network. We demonstrate the effectiveness of our approach by learning competitive or strictly improved auctions compared to prior work. Both results together further imply a novel formulation of Auction Design as a two-player game with stationary utility functions.

We propose a fast, distance-preserving, binary embedding algorithm to transform a high-dimensional dataset $\mathcal{T}\subseteq\mathbb{R}^n$ into binary sequences in the cube $\{\pm 1\}^m$. When $\mathcal{T}$ consists of well-spread (i.e., non-sparse) vectors, our embedding method applies a stable noise-shaping quantization scheme to $A x$ where $A\in\mathbb{R}^{m\times n}$ is a sparse Gaussian random matrix. This contrasts with most binary embedding methods, which usually use $x\mapsto \mathrm{sign}(Ax)$ for the embedding. Moreover, we show that Euclidean distances among the elements of $\mathcal{T}$ are approximated by the $\ell_1$ norm on the images of $\{\pm 1\}^m$ under a fast linear transformation. This again contrasts with standard methods, where the Hamming distance is used instead. Our method is both fast and memory efficient, with time complexity $O(m)$ and space complexity $O(m)$ on well-spread data. When the data is not well-spread, we show that the approach still works provided that data is transformed via a Walsh-Hadamard matrix, but now the cost is $O(n\log n)$ per data point. Further, we prove that the method is accurate and its associated error is comparable to that of a continuous valued Johnson-Lindenstrauss embedding plus a quantization error that admits a polynomial decay as the embedding dimension $m$ increases. Thus the length of the binary codes required to achieve a desired accuracy is quite small, and we show it can even be compressed further without compromising the accuracy. To illustrate our results, we test the proposed method on natural images and show that it achieves strong performance.

Multiclass classifiers are often designed and evaluated only on a sample from the classes on which they will eventually be applied. Hence, their final accuracy remains unknown. In this work we study how a classifier’s performance over the initial class sample can be used to extrapolate its expected accuracy on a larger, unobserved set of classes. For this, we define a measure of separation between correct and incorrect classes that is independent of the number of classes: the "reversed ROC" (rROC), which is obtained by replacing the roles of classes and data-points in the common ROC. We show that the classification accuracy is a function of the rROC in multiclass classifiers, for which the learned representation of data from the initial class sample remains unchanged when new classes are added. Using these results we formulate a robust neural-network-based algorithm, "CleaneX", which learns to estimate the accuracy of such classifiers on arbitrarily large sets of classes. Unlike previous methods, our method uses both the observed accuracies of the classifier and densities of classification scores, and therefore achieves remarkably better predictions than current state-of-the-art methods on both simulations and real datasets of object detection, face recognition, and brain decoding.

Complex, multi-task problems have proven to be difficult to solve efficiently in a sparse-reward reinforcement learning setting. In order to be sample efficient, multi-task learning requires reuse and sharing of low-level policies. To facilitate the automatic decomposition of hierarchical tasks, we propose the use of step-by-step human demonstrations in the form of natural language instructions and action trajectories. We introduce a dataset of such demonstrations in a crafting-based grid world. Our model consists of a high-level language generator and low-level policy, conditioned on language. We find that human demonstrations help solve the most complex tasks. We also find that incorporating natural language allows the model to generalize to unseen tasks in a zero-shot setting and to learn quickly from a few demonstrations. Generalization is not only reflected in the actions of the agent, but also in the generated natural language instructions in unseen tasks. Our approach also gives our trained agent interpretable behaviors because it is able to generate a sequence of high-level descriptions of its actions.

Action-value estimation is a critical component of many reinforcement learning (RL) methods whereby sample complexity relies heavily on how fast a good estimator for action value can be learned. By viewing this problem through the lens of representation learning, good representations of both state and action can facilitate action-value estimation. While advances in deep learning have seamlessly driven progress in learning state representations, given the specificity of the notion of agency to RL, little attention has been paid to learning action representations. We conjecture that leveraging the combinatorial structure of multi-dimensional action spaces is a key ingredient for learning good representations of action. To test this, we set forth the action hypergraph networks framework---a class of functions for learning action representations in multi-dimensional discrete action spaces with a structural inductive bias. Using this framework we realise an agent class based on a combination with deep Q-networks, which we dub hypergraph Q-networks. We show the effectiveness of our approach on a myriad of domains: illustrative prediction problems under minimal confounding effects, Atari 2600 games, and discretised physical control benchmarks.

Data augmentation is an efficient way to expand a training dataset by creating additional artificial data. While data augmentation is found to be effective in improving the generalization capabilities of models for various machine learning tasks, the underlying augmentation methods are usually manually designed and carefully evaluated for each data modality separately, like image processing functions for image data and word-replacing rules for text data. In this work, we propose an automated data augmentation approach called MODALS (Modality-agnostic Automated Data Augmentation in the Latent Space) to augment data for any modality in a generic way. MODALS exploits automated data augmentation to fine-tune four universal data transformation operations in the latent space to adapt the transform to data of different modalities. Through comprehensive experiments, we demonstrate the effectiveness of MODALS on multiple datasets for text, tabular, time-series and image modalities.