NeurIPS 2021 Papers

We propose new methods for learning Bayesian networks (BNs) that reliably support fast inference. We utilize maximum state space size as a more fine-grained measure for the BN's reasoning complexity than the standard treewidth measure, thereby accommodating the possibility that variables range over domains of different sizes. Our methods combine heuristic BN structure learning algorithms with the recently introduced MaxSAT-powered local improvement method (Peruvemba Ramaswamy and Szeider, AAAI'21). Our experiments show that our new learning methods produce BNs that support significantly faster exact probabilistic inference than BNs learned with treewidth bounds.

The world provides us with data of multiple modalities. Intuitively, models fusing data from different modalities outperform their uni-modal counterparts, since more information is aggregated. Recently, joining the success of deep learning, there is an influential line of work on deep multi-modal learning, which has remarkable empirical results on various applications. However, theoretical justifications in this field are notably lacking. Can multi-modal learning provably perform better than uni-modal? In this paper, we answer this question under a most popular multi-modal fusion framework, which firstly encodes features from different modalities into a common latent space and seamlessly maps the latent representations into the task space. We prove that learning with multiple modalities achieves a smaller population risk than only using its subset of modalities. The main intuition is that the former has a more accurate estimate of the latent space representation. To the best of our knowledge, this is the first theoretical treatment to capture important qualitative phenomena observed in real multi-modal applications from the generalization perspective. Combining with experiment results, we show that multi-modal learning does possess an appealing formal guarantee.

Self-supervised learning algorithms, including BERT and SimCLR, have enabled significant strides in fields like natural language processing, computer vision, and speech processing. However, these algorithms are domain-specific, meaning that new self-supervised learning algorithms must be developed for each new setting, including myriad healthcare, scientific, and multimodal domains. To catalyze progress toward domain-agnostic methods, we introduce DABS: a Domain-Agnostic Benchmark for Self-supervised learning. To perform well on DABS, an algorithm is evaluated on seven diverse domains: natural images, multichannel sensor data, English text, speech recordings, multilingual text, chest x-rays, and images with text descriptions. Each domain contains an unlabeled dataset for pretraining; the model is then is scored based on its downstream performance on a set of labeled tasks in the domain. We also present e-Mix and ShED: two baseline domain-agnostic algorithms; their relatively modest performance demonstrates that significant progress is needed before self-supervised learning is an out-of-the-box solution for arbitrary domains. Code for benchmark datasets and baseline algorithms is available at https://github.com/alextamkin/dabs.

Recent success in deep learning has partially been driven by training increasingly overparametrized networks on ever larger datasets. It is therefore natural to ask: how much of the data is superfluous, which examples are important for generalization, and how do we find them? In this work, we make the striking observation that, in standard vision datasets, simple scores averaged over several weight initializations can be used to identify important examples very early in training. We propose two such scores—the Gradient Normed (GraNd) and the Error L2-Norm (EL2N) scores—and demonstrate their efficacy on a range of architectures and datasets by pruning significant fractions of training data without sacrificing test accuracy. In fact, using EL2N scores calculated a few epochs into training, we can prune half of the CIFAR10 training set while slightly improving test accuracy. Furthermore, for a given dataset, EL2N scores from one architecture or hyperparameter configuration generalize to other configurations. Compared to recent work that prunes data by discarding examples that are rarely forgotten over the course of training, our scores use only local information early in training. We also use our scores to detect noisy examples and study training dynamics through the lens of important examples—we investigate how the data distribution shapes the loss surface and identify subspaces of the model’s data representation that are relatively stable over training.

Recent advances in Natural Language Processing (NLP), and specifically automated Question Answering (QA) systems, have demonstrated both impressive linguistic fluency and a pernicious tendency to reflect social biases. In this study, we introduce Q-Pain, a dataset for assessing bias in medical QA in the context of pain management, one of the most challenging forms of clinical decision-making. Along with the dataset, we propose a new, rigorous framework, including a sample experimental design, to measure the potential biases present when making treatment decisions. We demonstrate its use by assessing two reference Question-Answering systems, GPT-2 and GPT-3, and find statistically significant differences in treatment between intersectional race-gender subgroups, thus reaffirming the risks posed by AI in medical settings, and the need for datasets like ours to ensure safety before medical AI applications are deployed.

Haze, a common kind of bad weather caused by atmospheric scattering, decreases the visibility of scenes and degenerates the performance of computer vision algorithms. Single-image dehazing methods have shown their effectiveness in a large variety of scenes, however, they are based on handcrafted priors or learned features, which do not generalize well to real-world images. Polarization information can be used to relieve its ill-posedness, however, real-world images are still challenging since existing polarization-based methods usually assume that the transmitted light is not significantly polarized, and they require specific clues to estimate necessary physical parameters. In this paper, we propose a generalized physical formation model of hazy images and a robust polarization-based dehazing pipeline without the above assumption or requirement, along with a neural network tailored to the pipeline. Experimental results show that our approach achieves state-of-the-art performance on both synthetic data and real-world hazy images.

The goal in label-imbalanced and group-sensitive classification is to optimize relevant metrics such as balanced error and equal opportunity. Classical methods, such as weighted cross-entropy, fail when training deep nets to the terminal phase of training (TPT), that is training beyond zero training error. This observation has motivated recent flurry of activity in developing heuristic alternatives following the intuitive mechanism of promoting larger margin for minorities. In contrast to previous heuristics, we follow a principled analysis explaining how different loss adjustments affect margins. First, we prove that for all linear classifiers trained in TPT, it is necessary to introduce multiplicative, rather than additive, logit adjustments so that the interclass margins change appropriately. To show this, we discover a connection of the multiplicative CE modification to the cost-sensitive support-vector machines. Perhaps counterintuitively, we also find that, at the start of training, the same multiplicative weights can actually harm the minority classes. Thus, while additive adjustments are ineffective in the TPT, we show that they can speed up convergence by countering the initial negative effect of the multiplicative weights. Motivated by these findings, we formulate the vector-scaling (VS) loss, that captures existing techniques as special cases. Moreover, we introduce a natural extension of the VS-loss to group-sensitive classification, thus treating the two common types of imbalances (label/group) in a unifying way. Importantly, our experiments on state-of-the-art datasets are fully consistent with our theoretical insights and confirm the superior performance of our algorithms. Finally, for imbalanced Gaussian-mixtures data, we perform a generalization analysis, revealing tradeoffs between balanced / standard error and equal opportunity.

Most existing policy learning solutions require the learning agents to receive high-quality supervision signals, e.g., rewards in reinforcement learning (RL) or high-quality expert demonstrations in behavioral cloning (BC). These quality supervisions are either infeasible or prohibitively expensive to obtain in practice. We aim for a unified framework that leverages the available cheap weak supervisions to perform policy learning efficiently. To handle this problem, we treat the weak supervision'' as imperfect information coming from a peer agent, and evaluate the learning agent's policy based on a correlated agreement'' with the peer agent's policy (instead of simple agreements). Our approach explicitly punishes a policy for overfitting to the weak supervision. In addition to theoretical guarantees, extensive evaluations on tasks including RL with noisy reward, BC with weak demonstrations, and standard policy co-training (RL + BC) show that our method leads to substantial performance improvements, especially when the complexity or the noise of the learning environments is high.

How related are the representations learned by neural language models, translation models, and language tagging tasks? We answer this question by adapting an encoder-decoder transfer learning method from computer vision to investigate the structure among 100 different feature spaces extracted from hidden representations of various networks trained on language tasks. This method reveals a low-dimensional structure where language models and translation models smoothly interpolate between word embeddings, syntactic and semantic tasks, and future word embeddings. We call this low-dimensional structure a language representation embedding because it encodes the relationships between representations needed to process language for a variety of NLP tasks. We find that this representation embedding can predict how well each individual feature space maps to human brain responses to natural language stimuli recorded using fMRI. Additionally, we find that the principal dimension of this structure can be used to create a metric which highlights the brain's natural language processing hierarchy. This suggests that the embedding captures some part of the brain's natural language representation structure.

Reinforcement learning (RL) algorithms assume that users specify tasks by manually writing down a reward function. However, this process can be laborious and demands considerable technical expertise. Can we devise RL algorithms that instead enable users to specify tasks simply by providing examples of successful outcomes? In this paper, we derive a control algorithm that maximizes the future probability of these successful outcome examples. Prior work has approached similar problems with a two-stage process, first learning a reward function and then optimizing this reward function using another reinforcement learning algorithm. In contrast, our method directly learns a value function from transitions and successful outcomes, without learning this intermediate reward function. Our method therefore requires fewer hyperparameters to tune and lines of code to debug. We show that our method satisfies a new data-driven Bellman equation, where examples take the place of the typical reward function term. Experiments show that our approach outperforms prior methods that learn explicit reward functions.

Recent research suggests that systematic generalization in natural language understanding remains a challenge for state-of-the-art neural models such as Transformers and Graph Neural Networks. To tackle this challenge, we propose Edge Transformer, a new model that combines inspiration from Transformers and rule-based symbolic AI. The first key idea in Edge Transformers is to associate vector states with every edge, that is, with every pair of input nodes---as opposed to just every node, as it is done in the Transformer model. The second major innovation is a triangular attention mechanism that updates edge representations in a way that is inspired by unification from logic programming. We evaluate Edge Transformer on compositional generalization benchmarks in relational reasoning, semantic parsing, and dependency parsing. In all three settings, the Edge Transformer outperforms Relation-aware, Universal and classical Transformer baselines.

We analyze the meta-learning of the initialization and step-size of learning algorithms for piecewise-Lipschitz functions, a non-convex setting with applications to both machine learning and algorithms. Starting from recent regret bounds for the exponential forecaster on losses with dispersed discontinuities, we generalize them to be initialization-dependent and then use this result to propose a practical meta-learning procedure that learns both the initialization and the step-size of the algorithm from multiple online learning tasks. Asymptotically, we guarantee that the average regret across tasks scales with a natural notion of task-similarity that measures the amount of overlap between near-optimal regions of different tasks. Finally, we instantiate the method and its guarantee in two important settings: robust meta-learning and multi-task data-driven algorithm design.

It was estimated that the world produced $59 ZB$ ($5.9 \times 10^{13} GB$) of data in 2020, resulting in the enormous costs of both data storage and transmission. Fortunately, recent advances in deep generative models have spearheaded a new class of so-called "neural compression" algorithms, which significantly outperform traditional codecs in terms of compression ratio. Unfortunately, the application of neural compression garners little commercial interest due to its limited bandwidth; therefore, developing highly efficient frameworks is of critical practical importance. In this paper, we discuss lossless compression using normalizing flows which have demonstrated a great capacity for achieving high compression ratios. As such, we introduce iFlow, a new method for achieving efficient lossless compression. We first propose Modular Scale Transform (MST) and a novel family of numerically invertible flow transformations based on MST. Then we introduce the Uniform Base Conversion System (UBCS), a fast uniform-distribution codec incorporated into iFlow, enabling efficient compression. iFlow achieves state-of-the-art compression ratios and is $5 \times$ quicker than other high-performance schemes. Furthermore, the techniques presented in this paper can be used to accelerate coding time for a broad class of flow-based algorithms.

To utilize the raw inputs and symbolic knowledge simultaneously, some recent neuro-symbolic learning methods use abduction, i.e., abductive reasoning, to integrate sub-symbolic perception and logical inference. While the perception model, e.g., a neural network, outputs some facts that are inconsistent with the symbolic background knowledge base, abduction can help revise the incorrect perceived facts by minimizing the inconsistency between them and the background knowledge. However, to enable effective abduction, previous approaches need an initialized perception model that discriminates the input raw instances. This limits the application of these methods, as the discrimination ability is usually acquired from a thorough pre-training when the raw inputs are difficult to classify. In this paper, we propose a novel abduction strategy, which leverages the similarity between samples, rather than the output information by the perceptual neural network, to guide the search in abduction. Based on this principle, we further present ABductive Learning with Similarity (ABLSim) and apply it to some difficult neuro-symbolic learning tasks. Experiments show that the efficiency of ABLSim is significantly higher than the state-of-the-art neuro-symbolic methods, allowing it to achieve better performance with less labeled data and weaker domain knowledge.

Document intelligence automates the extraction of information from documents and supports many business applications. Recent self-supervised learning methods on large-scale unlabeled document datasets have opened up promising directions towards reducing annotation efforts by training models with self-supervised objectives. However, most of the existing document pretraining methods are still language-dominated. We present UDoc, a new unified pretraining framework for document understanding. UDoc is designed to support most document understanding tasks, extending the Transformer to take multimodal embeddings as input. Each input element is composed of words and visual features from a semantic region of the input document image. An important feature of UDoc is that it learns a generic representation by making use of three self-supervised losses, encouraging the representation to model sentences, learn similarities, and align modalities. Extensive empirical analysis demonstrates that the pretraining procedure learns better joint representations and leads to improvements in downstream tasks.

Our work reveals a structured shortcoming of the existing mainstream self-supervised learning methods. Whereas self-supervised learning frameworks usually take the prevailing perfect instance level invariance hypothesis for granted, we carefully investigate the pitfalls behind. Particularly, we argue that the existing augmentation pipeline for generating multiple positive views naturally introduces out-of-distribution (OOD) samples that undermine the learning of the downstream tasks. Generating diverse positive augmentations on the input does not always pay off in benefiting downstream tasks. To overcome this inherent deficiency, we introduce a lightweight latent variable model UOTA, targeting the view sampling issue for self-supervised learning. UOTA adaptively searches for the most important sampling region to produce views, and provides viable choice for outlier-robust self-supervised learning approaches. Our method directly generalizes to many mainstream self-supervised learning approaches, regardless of the loss's nature contrastive or not. We empirically show UOTA's advantage over the state-of-the-art self-supervised paradigms with evident margin, which well justifies the existence of the OOD sample issue embedded in the existing approaches. Especially, we theoretically prove that the merits of the proposal boil down to guaranteed estimator variance and bias reduction. Code is available: https://github.com/ssl-codelab/uota.

Adversarial Transferability is an intriguing property - adversarial perturbation crafted against one model is also effective against another model, while these models are from different model families or training processes. To better protect ML systems against adversarial attacks, several questions are raised: what are the sufficient conditions for adversarial transferability, and how to bound it? Is there a way to reduce the adversarial transferability in order to improve the robustness of an ensemble ML model? To answer these questions, in this work we first theoretically analyze and outline sufficient conditions for adversarial transferability between models; then propose a practical algorithm to reduce the transferability between base models within an ensemble to improve its robustness. Our theoretical analysis shows that only promoting the orthogonality between gradients of base models is not enough to ensure low transferability; in the meantime, the model smoothness is an important factor to control the transferability. We also provide the lower and upper bounds of adversarial transferability under certain conditions. Inspired by our theoretical analysis, we propose an effective Transferability Reduced Smooth (TRS) ensemble training strategy to train a robust ensemble with low transferability by enforcing both gradient orthogonality and model smoothness between base models. We conduct extensive experiments on TRS and compare with 6 state-of-the-art ensemble baselines against 8 whitebox attacks on different datasets, demonstrating that the proposed TRS outperforms all baselines significantly.

What advantage do sequential procedures provide over batch algorithms for testing properties of unknown distributions? Focusing on the problem of testing whether two distributions $\mathcal{D}_1$ and $\mathcal{D}_2$ on $\{1,\dots, n\}$ are equal or $\epsilon$-far, we give several answers to this question. We show that for a small alphabet size $n$, there is a sequential algorithm that outperforms any batch algorithm by a factor of at least $4$ in terms sample complexity. For a general alphabet size $n$, we give a sequential algorithm that uses no more samples than its batch counterpart, and possibly fewer if the actual distance between $\mathcal{D}_1$ and $\mathcal{D}_2$ is larger than $\epsilon$. As a corollary, letting $\epsilon$ go to $0$, we obtain a sequential algorithm for testing closeness (with no a priori bound on the distance between $\mathcal{D}_1$ and $\mathcal{D}_2$) with a sample complexity $\tilde{\mathcal{O}}(\frac{n^{2/3}}{TV(\mathcal{D}_1, \mathcal{D}_2)^{4/3}})$: this improves over the $\tilde{\mathcal{O}}(\frac{n/\log n}{TV(\mathcal{D}_1, \mathcal{D}_2)^{2} })$ tester of [Daskalakis and Kawase 2017] and is optimal up to multiplicative constants. We also establish limitations of sequential algorithms for the problem of testing closeness: they can improve the worst case number of samples by at most a constant factor.

We propose a general method to construct centroid approximation for the distribution of maximum points of a random function (a.k.a. argmax distribution), which finds broad applications in machine learning. Our method optimizes a set of centroid points to compactly approximate the argmax distribution with a simple objective function, without explicitly drawing exact samples from the argmax distribution. Theoretically, the argmax centroid method can be shown to minimize a surrogate of Wasserstein distance between the ground-truth argmax distribution and the centroid approximation under proper conditions. We demonstrate the applicability and effectiveness of our method on a variety of real-world multi-task learning applications, including few-shot image classification, personalized dialogue systems and multi-target domain adaptation.