ICLR 2021 论文列表

Training neural networks with auxiliary tasks is a common practice for improving the performance on a main task of interest. Two main challenges arise in this multi-task learning setting: (i) designing useful auxiliary tasks; and (ii) combining auxiliary tasks into a single coherent loss. Here, we propose a novel framework, AuxiLearn, that targets both challenges based on implicit differentiation. First, when useful auxiliaries are known, we propose learning a network that combines all losses into a single coherent objective function. This network can learn non-linear interactions between tasks. Second, when no useful auxiliary task is known, we describe how to learn a network that generates a meaningful, novel auxiliary task. We evaluate AuxiLearn in a series of tasks and domains, including image segmentation and learning with attributes in the low data regime, and find that it consistently outperforms competing methods.

In many important graph data processing applications the acquired information includes both node features and observations of the graph topology. Graph neural networks (GNNs) are designed to exploit both sources of evidence but they do not optimally trade-off their utility and integrate them in a manner that is also universal. Here, universality refers to independence on homophily or heterophily graph assumptions. We address these issues by introducing a new Generalized PageRank (GPR) GNN architecture that adaptively learns the GPR weights so as to jointly optimize node feature and topological information extraction, regardless of the extent to which the node labels are homophilic or heterophilic. Learned GPR weights automatically adjust to the node label pattern, irrelevant on the type of initialization, and thereby guarantee excellent learning performance for label patterns that are usually hard to handle. Furthermore, they allow one to avoid feature over-smoothing, a process which renders feature information nondiscriminative, without requiring the network to be shallow. Our accompanying theoretical analysis of the GPR-GNN method is facilitated by novel synthetic benchmark datasets generated by the so-called contextual stochastic block model. We also compare the performance of our GNN architecture with that of several state-of-the-art GNNs on the problem of node-classification, using well-known benchmark homophilic and heterophilic datasets. The results demonstrate that GPR-GNN offers significant performance improvement compared to existing techniques on both synthetic and benchmark data.

Encoder layer fusion (EncoderFusion) is a technique to fuse all the encoder layers (instead of the uppermost layer) for sequence-to-sequence (Seq2Seq) models, which has proven effective on various NLP tasks. However, it is still not entirely clear why and when EncoderFusion should work. In this paper, our main contribution is to take a step further in understanding EncoderFusion. Many of previous studies believe that the success of EncoderFusion comes from exploiting surface and syntactic information embedded in lower encoder layers. Unlike them, we find that the encoder embedding layer is more important than other intermediate encoder layers. In addition, the uppermost decoder layer consistently pays more attention to the encoder embedding layer across NLP tasks. Based on this observation, we propose a simple fusion method, SurfaceFusion, by fusing only the encoder embedding layer for the softmax layer. Experimental results show that SurfaceFusion outperforms EncoderFusion on several NLP benchmarks, including machine translation, text summarization, and grammatical error correction. It obtains the state-of-the-art performance on WMT16 Romanian-English and WMT14 English-French translation tasks. Extensive analyses reveal that SurfaceFusion learns more expressive bilingual word embeddings by building a closer relationship between relevant source and target embeddings. Source code is freely available at https://github.com/SunbowLiu/SurfaceFusion.

As the state-of-the-art machine learning methods in many fields rely on larger datasets, storing datasets and training models on them become significantly more expensive. This paper proposes a training set synthesis technique for data-efficient learning, called Dataset Condensation, that learns to condense large dataset into a small set of informative synthetic samples for training deep neural networks from scratch. We formulate this goal as a gradient matching problem between the gradients of deep neural network weights that are trained on the original and our synthetic data. We rigorously evaluate its performance in several computer vision benchmarks and demonstrate that it significantly outperforms the state-of-the-art methods. Finally we explore the use of our method in continual learning and neural architecture search and report promising gains when limited memory and computations are available.

We develop a methodology for assessing the robustness of models to subpopulation shift---specifically, their ability to generalize to novel data subpopulations that were not observed during training. Our approach leverages the class structure underlying existing datasets to control the data subpopulations that comprise the training and test distributions. This enables us to synthesize realistic distribution shifts whose sources can be precisely controlled and characterized, within existing large-scale datasets. Applying this methodology to the ImageNet dataset, we create a suite of subpopulation shift benchmarks of varying granularity. We then validate that the corresponding shifts are tractable by obtaining human baselines. Finally, we utilize these benchmarks to measure the sensitivity of standard model architectures as well as the effectiveness of existing train-time robustness interventions.

Most current NLP systems are based on a pre-train-then-fine-tune paradigm, in which a large neural network is first trained in a self-supervised way designed to encourage the network to extract broadly-useful linguistic features, and then fine-tuned for a specific task of interest. Recent work attempts to understand why this recipe works and explain when it fails. Currently, such analyses have produced two sets of apparently-contradictory results. Work that analyzes the representations that result from pre-training (via "probing classifiers") finds evidence that rich features of linguistic structure can be decoded with high accuracy, but work that analyzes model behavior after fine-tuning (via "challenge sets") indicates that decisions are often not based on such structure but rather on spurious heuristics specific to the training set. In this work, we test the hypothesis that the extent to which a feature influences a model's decisions can be predicted using a combination of two factors: The feature's "extractability" after pre-training (measured using information-theoretic probing techniques), and the "evidence" available during fine-tuning (defined as the feature's co-occurrence rate with the label). In experiments with both synthetic and natural language data, we find strong evidence (statistically significant correlations) supporting this hypothesis.

We explore the hypothesis that learning modular structures which reflect the dynamics of the environment can lead to better generalization and robustness to changes that only affect a few of the underlying causes. We propose Recurrent Independent Mechanisms (RIMs), a new recurrent architecture in which multiple groups of recurrent cells operate with nearly independent transition dynamics, communicate only sparingly through the bottleneck of attention, and compete with each other so they are updated only at time steps where they are most relevant. We show that this leads to specialization amongst the RIMs, which in turn allows for remarkably improved generalization on tasks where some factors of variation differ systematically between training and evaluation.

Real-world large-scale datasets are heteroskedastic and imbalanced --- labels have varying levels of uncertainty and label distributions are long-tailed. Heteroskedasticity and imbalance challenge deep learning algorithms due to the difficulty of distinguishing among mislabeled, ambiguous, and rare examples. Addressing heteroskedasticity and imbalance simultaneously is under-explored. We propose a data-dependent regularization technique for heteroskedastic datasets that regularizes different regions of the input space differently. Inspired by the theoretical derivation of the optimal regularization strength in a one-dimensional nonparametric classification setting, our approach adaptively regularizes the data points in higher-uncertainty, lower-density regions more heavily. We test our method on several benchmark tasks, including a real-world heteroskedastic and imbalanced dataset, WebVision. Our experiments corroborate our theory and demonstrate a significant improvement over other methods in noise-robust deep learning.

Synthesizing programs from examples requires searching over a vast, combinatorial space of possible programs. In this search process, a key challenge is representing the behavior of a partially written program before it can be executed, to judge if it is on the right track and predict where to search next. We introduce a general technique for representing partially written programs in a program synthesis engine. We take inspiration from the technique of abstract interpretation, in which an approximate execution model is used to determine if an unfinished program will eventually satisfy a goal specification. Here we learn an approximate execution model implemented as a modular neural network. By constructing compositional program representations that implicitly encode the interpretation semantics of the underlying programming language, we can represent partial programs using a flexible combination of concrete execution state and learned neural representations, using the learned approximate semantics when concrete semantics are not known (in unfinished parts of the program). We show that these hybrid neuro-symbolic representations enable execution-guided synthesizers to use more powerful language constructs, such as loops and higher-order functions, and can be used to synthesize programs more accurately for a given search budget than pure neural approaches in several domains.

Machine learning applications such as finance and medicine demand accurate and justifiable predictions, barring most deep learning methods from use. In response, previous work combines decision trees with deep learning, yielding models that (1) sacrifice interpretability for accuracy or (2) sacrifice accuracy for interpretability. We forgo this dilemma by jointly improving accuracy and interpretability using Neural-Backed Decision Trees (NBDTs). NBDTs replace a neural network's final linear layer with a differentiable sequence of decisions and a surrogate loss. This forces the model to learn high-level concepts and lessens reliance on highly-uncertain decisions, yielding (1) accuracy: NBDTs match or outperform modern neural networks on CIFAR, ImageNet and better generalize to unseen classes by up to 16%. Furthermore, our surrogate loss improves the original model's accuracy by up to 2%. NBDTs also afford (2) interpretability: improving human trustby clearly identifying model mistakes and assisting in dataset debugging. Code and pretrained NBDTs are at https://github.com/alvinwan/neural-backed-decision-trees.

Discovering the underlying mathematical expressions describing a dataset is a core challenge for artificial intelligence. This is the problem of $\textit{symbolic regression}$. Despite recent advances in training neural networks to solve complex tasks, deep learning approaches to symbolic regression are underexplored. We propose a framework that leverages deep learning for symbolic regression via a simple idea: use a large model to search the space of small models. Specifically, we use a recurrent neural network to emit a distribution over tractable mathematical expressions and employ a novel risk-seeking policy gradient to train the network to generate better-fitting expressions. Our algorithm outperforms several baseline methods (including Eureqa, the gold standard for symbolic regression) in its ability to exactly recover symbolic expressions on a series of benchmark problems, both with and without added noise. More broadly, our contributions include a framework that can be applied to optimize hierarchical, variable-length objects under a black-box performance metric, with the ability to incorporate constraints in situ, and a risk-seeking policy gradient formulation that optimizes for best-case performance instead of expected performance.

A popular approach to model compression is to train an inexpensive student model to mimic the class probabilities of a highly accurate but cumbersome teacher model. Surprisingly, this two-step knowledge distillation process often leads to higher accuracy than training the student directly on labeled data. To explain and enhance this phenomenon, we cast knowledge distillation as a semiparametric inference problem with the optimal student model as the target, the unknown Bayes class probabilities as nuisance, and the teacher probabilities as a plug-in nuisance estimate. By adapting modern semiparametric tools, we derive new guarantees for the prediction error of standard distillation and develop two enhancements—cross-fitting and loss correction—to mitigate the impact of teacher overfitting and underfitting on student performance. We validate our findings empirically on both tabular and image data and observe consistent improvements from our knowledge distillation enhancements.

We show how feature maps in convolutional networks are susceptible to spatial bias. Due to a combination of architectural choices, the activation at certain locations is systematically elevated or weakened. The major source of this bias is the padding mechanism. Depending on several aspects of convolution arithmetic, this mechanism can apply the padding unevenly, leading to asymmetries in the learned weights. We demonstrate how such bias can be detrimental to certain tasks such as small object detection: the activation is suppressed if the stimulus lies in the impacted area, leading to blind spots and misdetection. We explore alternative padding methods and propose solutions for analyzing and mitigating spatial bias.

Various classes of Graph Neural Networks (GNN) have been proposed and shown to be successful in a wide range of applications with graph structured data. In this paper, we propose a theoretical framework able to compare the expressive power of these GNN architectures. The current universality theorems only apply to intractable classes of GNNs. Here, we prove the first approximation guarantees for practical GNNs, paving the way for a better understanding of their generalization. Our theoretical results are proved for invariant GNNs computing a graph embedding (permutation of the nodes of the input graph does not affect the output) and equivariant GNNs computing an embedding of the nodes (permutation of the input permutes the output). We show that Folklore Graph Neural Networks (FGNN), which are tensor based GNNs augmented with matrix multiplication are the most expressive architectures proposed so far for a given tensor order. We illustrate our results on the Quadratic Assignment Problem (a NP-Hard combinatorial problem) by showing that FGNNs are able to learn how to solve the problem, leading to much better average performances than existing algorithms (based on spectral, SDP or other GNNs architectures). On a practical side, we also implement masked tensors to handle batches of graphs of varying sizes.

We propose a simple, general and effective technique, Reward Randomization for discovering diverse strategic policies in complex multi-agent games. Combining reward randomization and policy gradient, we derive a new algorithm, Reward-Randomized Policy Gradient (RPG). RPG is able to discover a set of multiple distinctive human-interpretable strategies in challenging temporal trust dilemmas, including grid-world games and a real-world game Agar.io, where multiple equilibria exist but standard multi-agent policy gradient algorithms always converge to a fixed one with a sub-optimal payoff for every player even using state-of-the-art exploration techniques. Furthermore, with the set of diverse strategies from RPG, we can (1) achieve higher payoffs by fine-tuning the best policy from the set; and (2) obtain an adaptive agent by using this set of strategies as its training opponents.

Signatory is a library for calculating and performing functionality related to the signature and logsignature transforms. The focus is on machine learning, and as such includes features such as CPU parallelism, GPU support, and backpropagation. To our knowledge it is the first GPU-capable library for these operations. Signatory implements new features not available in previous libraries, such as efficient precomputation strategies. Furthermore, several novel algorithmic improvements are introduced, producing substantial real-world speedups even on the CPU without parallelism. The library operates as a Python wrapper around C++, and is compatible with the PyTorch ecosystem. It may be installed directly via \texttt{pip}. Source code, documentation, examples, benchmarks and tests may be found at \texttt{\url{https://github.com/patrick-kidger/signatory}}. The license is Apache-2.0.

Neural network training can easily overfit noisy labels resulting in poor generalization performance. Existing methods address this problem by (1) filtering out the noisy data and only using the clean data for training or (2) relabeling the noisy data by the model during training or by another model trained only on a clean dataset. However, the former does not leverage the features' information of wrongly-labeled data, while the latter may produce wrong pseudo-labels for some data and introduce extra noises. In this paper, we propose a smooth transition and interplay between these two strategies as a curriculum that selects training samples dynamically. In particular, we start with learning from clean data and then gradually move to learn noisy-labeled data with pseudo labels produced by a time-ensemble of the model and data augmentations. Instead of using the instantaneous loss computed at the current step, our data selection is based on the dynamics of both the loss and output consistency for each sample across historical steps and different data augmentations, resulting in more precise detection of both clean labels and correct pseudo labels. On multiple benchmarks of noisy labels, we show that our curriculum learning strategy can significantly improve the test accuracy without any auxiliary model or extra clean data.

Few-shot classification (FSC), the task of adapting a classifier to unseen classes given a small labeled dataset, is an important step on the path toward human-like machine learning. Bayesian methods are well-suited to tackling the fundamental issue of overfitting in the few-shot scenario because they allow practitioners to specify prior beliefs and update those beliefs in light of observed data. Contemporary approaches to Bayesian few-shot classification maintain a posterior distribution over model parameters, which is slow and requires storage that scales with model size. Instead, we propose a Gaussian process classifier based on a novel combination of Pólya-Gamma augmentation and the one-vs-each softmax approximation that allows us to efficiently marginalize over functions rather than model parameters. We demonstrate improved accuracy and uncertainty quantification on both standard few-shot classification benchmarks and few-shot domain transfer tasks.

We study the problem of unsupervised physical object discovery. While existing frameworks aim to decompose scenes into 2D segments based off each object's appearance, we explore how physics, especially object interactions, facilitates disentangling of 3D geometry and position of objects from video, in an unsupervised manner. Drawing inspiration from developmental psychology, our Physical Object Discovery Network (POD-Net) uses both multi-scale pixel cues and physical motion cues to accurately segment observable and partially occluded objects of varying sizes, and infer properties of those objects. Our model reliably segments objects on both synthetic and real scenes. The discovered object properties can also be used to reason about physical events.