NeurIPS 2020 Papers

Rather than performing inefficient local iterative routing between adjacent capsule layers, we propose an alternative global view based on representing the inherent uncertainty in part-object assignment. In our formulation, the local routing iterations are replaced with variational inference of part-object connections in a probabilistic capsule network, leading to a significant speedup without sacrificing performance. In this way, global context is also considered when routing capsules by introducing global latent variables that have direct influence on the objective function, and are updated discriminatively in accordance with the minimum description length (MDL) principle. We focus on enhancing capsule network properties, and perform a thorough evaluation on pose-aware tasks, observing improvements in performance over previous approaches whilst being more computationally efficient.

As deep learning models become tasked with more and more decisions that impact human lives, such as criminal recidivism, loan repayment, and face recognition for law enforcement, bias is becoming a growing concern. Debiasing algorithms are typically split into three paradigms: pre-processing, in-processing, and post-processing. However, in computer vision or natural language applications, it is common to start with a large generic model and then fine-tune to a specific use-case. Pre- or in-processing methods would require retraining the entire model from scratch, while post-processing methods only have black-box access to the model, so they do not leverage the weights of the trained model. Creating debiasing algorithms specifically for this fine-tuning use-case has largely been neglected.

Predicting calibrated confidence scores for multi-class deep networks is important for avoiding rare but costly mistakes. A common approach is to learn a post-hoc calibration function that transforms the output of the original network into calibrated confidence scores while maintaining the network's accuracy. However, previous post-hoc calibration techniques work only with simple calibration functions, potentially lacking sufficient representation to calibrate the complex function landscape of deep networks. In this work, we aim to learn general post-hoc calibration functions that can preserve the top-k predictions of any deep network. We call this family of functions intra order-preserving functions. We propose a new neural network architecture that represents a class of intra order-preserving functions by combining common neural network components. Additionally, we introduce order-invariant and diagonal sub-families, which can act as regularization for better generalization when the training data size is small. We show the effectiveness of the proposed method across a wide range of datasets and classifiers. Our method outperforms state-of-the-art post-hoc calibration methods, namely temperature scaling and Dirichlet calibration, in several evaluation metrics for the task.

We uncover an ever-overlooked deficiency in the prevailing Few-Shot Learning (FSL) methods: the pre-trained knowledge is indeed a confounder that limits the performance. This finding is rooted from our causal assumption: a Structural Causal Model (SCM) for the causalities among the pre-trained knowledge, sample features, and labels. Thanks to it, we propose a novel FSL paradigm: Interventional Few-Shot Learning (IFSL). Specifically, we develop three effective IFSL algorithmic implementations based on the backdoor adjustment, which is essentially a causal intervention towards the SCM of many-shot learning: the upper-bound of FSL in a causal view. It is worth noting that the contribution of IFSL is orthogonal to existing fine-tuning and meta-learning based FSL methods, hence IFSL can improve all of them, achieving a new 1-/5-shot state-of-the-art on miniImageNet, tieredImageNet, and cross-domain CUB. Code is released at https://github.com/yue-zhongqi/ifsl.

Natural language contains information at multiple timescales. To understand how the human brain represents this information, one approach is to build encoding models that predict fMRI responses to natural language using representations extracted from neural network language models (LMs). However, these LM-derived representations do not explicitly separate information at different timescales, making it difficult to interpret the encoding models. In this work we construct interpretable multi-timescale representations by forcing individual units in an LSTM LM to integrate information over specific temporal scales. This allows us to explicitly and directly map the timescale of information encoded by each individual fMRI voxel. Further, the standard fMRI encoding procedure does not account for varying temporal properties in the encoding features. We modify the procedure so that it can capture both short- and long-timescale information. This approach outperforms other encoding models, particularly for voxels that represent long-timescale information. It also provides a finer-grained map of timescale information in the human language pathway. This serves as a framework for future work investigating temporal hierarchies across artificial and biological language systems.

Resource scheduling and coordination is an NP-hard optimization requiring an efficient allocation of agents to a set of tasks with upper- and lower bound temporal and resource constraints. Due to the large-scale and dynamic nature of resource coordination in hospitals and factories, human domain experts manually plan and adjust schedules on the fly. To perform this job, domain experts leverage heterogeneous strategies and rules-of-thumb honed over years of apprenticeship. What is critically needed is the ability to extract this domain knowledge in a heterogeneous and interpretable apprenticeship learning framework to scale beyond the power of a single human expert, a necessity in safety-critical domains. We propose a personalized and interpretable apprenticeship scheduling algorithm that infers an interpretable representation of all human task demonstrators by extracting decision-making criteria via an inferred, personalized embedding non-parametric in the number of demonstrator types. We achieve near-perfect LfD accuracy in synthetic domains and 88.22\% accuracy on a planning domain with real-world data, outperforming baselines. Finally, our user study showed our methodology produces more interpretable and easier-to-use models than neural networks ($p < 0.05$).

We propose a simple interpolation-based method for the efficient approximation of gradients in neural ODE models. We compare it with reverse dynamic method (known in literature as “adjoint method”) to train neural ODEs on classification, density estimation and inference approximation tasks. We also propose a theoretical justification of our approach using logarithmic norm formalism. As a result, our method allows faster model training than the reverse dynamic method what was confirmed and validated by extensive numerical experiments for several standard benchmarks.

Solving optimization problem is the key to decision making in many real-life analytics applications. However, the coefficients of the optimization problems are often uncertain and dependent on external factors, such as future demand or energy- or stock prices. Machine learning (ML) models, especially neural networks, are increasingly being used to estimate these coefficients in a data-driven way. Hence, end-to-end predict-and-optimize approaches, which consider how effective the predicted values are to solve the optimization problem, have received increasing attention. In case of integer linear programming problems, a popular approach to overcome their non-differentiabilty is to add a quadratic penalty term to the continuous relaxation, such that results from differentiating over quadratic programs can be used. Instead we investigate the use of the more principled logarithmic barrier term, as widely used in interior point solvers for linear programming. Instead of differentiating the KKT conditions, we consider the homogeneous self-dual formulation of the LP and we show the relation between the interior point step direction and corresponding gradients needed for learning. Finally, our empirical experiments demonstrate our approach performs as good as if not better than the state-of-the-art QPTL (Quadratic Programming task loss) formulation of Wilder et al. and SPO approach of Elmachtoub and Grigas.

In many learning problems, the domain scientist is often interested in discovering the groups of features that are redundant and are important for classification. Moreover, the features that belong to each group, and the important feature groups may vary per sample. But what do we mean by feature redundancy? In this paper, we formally define two types of redundancies using information theory: \textit{Representation} and \textit{Relevant redundancies}. We leverage these redundancies to design a formulation for instance-wise feature group discovery and reveal a theoretical guideline to help discover the appropriate number of groups. We approximate mutual information via a variational lower bound and learn the feature group and selector indicators with Gumbel-Softmax in optimizing our formulation. Experiments on synthetic data validate our theoretical claims. Experiments on MNIST, Fashion MNIST, and gene expression datasets show that our method discovers feature groups with high classification accuracies.

We study and provide instance-optimal algorithms in differential privacy by extending and approximating the inverse sensitivity mechanism. We provide two approximation frameworks, one which only requires knowledge of local sensitivities, and a gradient-based approximation for optimization problems, which are efficiently computable for a broad class of functions. We complement our analysis with instance-specific lower bounds for vector-valued functions, which demonstrate that our mechanisms are (nearly) instance-optimal under certain assumptions and that minimax lower bounds may not provide an accurate estimate of the hardness of a problem in general: our algorithms can significantly outperform minimax bounds for well-behaved instances. Finally, we use our approximation framework to develop private mechanisms for unbounded-range mean estimation, principal component analysis, and linear regression. For PCA, our mechanisms give an efficient (pure) differentially private algorithm with near-optimal rates.

Agents trained via deep reinforcement learning (RL) routinely fail to generalize to unseen environments, even when these share the same underlying dynamics as the training levels. Understanding the generalization properties of RL is one of the challenges of modern machine learning. Towards this goal, we analyze policy learning in the context of Partially Observable Markov Decision Processes (POMDPs) and formalize the dynamics of training levels as instances. We prove that, independently of the exploration strategy, reusing instances introduces significant changes on the effective Markov dynamics the agent observes during training. Maximizing expected rewards impacts the learned belief state of the agent by inducing undesired instance-specific speed-running policies instead of generalizable ones, which are sub-optimal on the training set. We provide generalization bounds to the value gap in train and test environments based on the number of training instances, and use insights based on these to improve performance on unseen levels. We propose training a shared belief representation over an ensemble of specialized policies, from which we compute a consensus policy that is used for data collection, disallowing instance-specific exploitation. We experimentally validate our theory, observations, and the proposed computational solution over the CoinRun benchmark.

Recent advances in Generative Adversarial Networks (GANs) have led to their widespread adoption for the purposes of generating high quality synthetic imagery. While capable of generating photo-realistic images, these models often produce unrealistic samples which fall outside of the data manifold. Several recently proposed techniques attempt to avoid spurious samples, either by rejecting them after generation, or by truncating the model's latent space. While effective, these methods are inefficient, as a large fraction of training time and model capacity are dedicated towards samples that will ultimately go unused. In this work we propose a novel approach to improve sample quality: altering the training dataset via instance selection before model training has taken place. By refining the empirical data distribution before training, we redirect model capacity towards high-density regions, which ultimately improves sample fidelity, lowers model capacity requirements, and significantly reduces training time. Code is available at https://github.com/uoguelph-mlrg/instance

In this paper we provide a new efficient algorithm for approximately computing the profile maximum likelihood (PML) distribution, a prominent quantity in symmetric property estimation. We provide an algorithm which matches the previous best known efficient algorithms for computing approximate PML distributions and improves when the number of distinct observed frequencies in the given instance is small. We achieve this result by exploiting new sparsity structure in approximate PML distributions and providing a new matrix rounding algorithm, of independent interest. Leveraging this result, we obtain the first provable computationally efficient implementation of PseudoPML, a general framework for estimating a broad class of symmetric properties. Additionally, we obtain efficient PML-based estimators for distributions with small profile entropy, a natural instance-based complexity measure. Further, we provide a simpler and more practical PseudoPML implementation that matches the best-known theoretical guarantees of such an estimator and evaluate this method empirically.

In recent years, neural backdoor attack has been considered to be a potential security threat to deep learning systems. Such systems, while achieving the state-of-the-art performance on clean data, perform abnormally on inputs with predefined triggers. Current backdoor techniques, however, rely on uniform trigger patterns, which are easily detected and mitigated by current defense methods. In this work, we propose a novel backdoor attack technique in which the triggers vary from input to input. To achieve this goal, we implement an input-aware trigger generator driven by diversity loss. A novel cross-trigger test is applied to enforce trigger nonreusablity, making backdoor verification impossible. Experiments show that our method is efficient in various attack scenarios as well as multiple datasets. We further demonstrate that our backdoor can bypass the state of the art defense methods. An analysis with a famous neural network inspector again proves the stealthiness of the proposed attack. Our code is publicly available.

In Meta-Reinforcement Learning (meta-RL) an agent is trained on a set of tasks to prepare for and learn faster in new, unseen, but related tasks. The training tasks are usually hand-crafted to be representative of the expected distribution of target tasks and hence all used in training. We show that given a set of training tasks, learning can be both faster and more effective (leading to better performance in the target tasks), if the training tasks are appropriately selected. We propose a task selection algorithm based on information theory, which optimizes the set of tasks used for training in meta-RL, irrespectively of how they are generated. The algorithm establishes which training tasks are both sufficiently relevant for the target tasks, and different enough from one another. We reproduce different meta-RL experiments from the literature and show that our task selection algorithm improves the final performance in all of them.

This work studies the problem of sequential control in an unknown, nonlinear dynamical system, where we model the underlying system dynamics as an unknown function in a known Reproducing Kernel Hilbert Space. This framework yields a general setting that permits discrete and continuous control inputs as well as non-smooth, non-differentiable dynamics. Our main result, the Lower Confidence-based Continuous Control (LC3) algorithm, enjoys a near-optimal $O(\sqrt{T})$ regret bound against the optimal controller in episodic settings, where $T$ is the number of episodes. The bound has no explicit dependence on dimension of the system dynamics, which could be infinite, but instead only depends on information theoretic quantities. We empirically show its application to a number of nonlinear control tasks and demonstrate the benefit of exploration for learning model dynamics.

Counterfactual learning for dealing with missing-not-at-random data (MNAR) is an intriguing topic in the recommendation literature, since MNAR data are ubiquitous in modern recommender systems. Instead, missing-at-random (MAR) data, namely randomized controlled trials (RCTs), are usually required by most previous counterfactual learning methods. However, the execution of RCTs is extraordinarily expensive in practice. To circumvent the use of RCTs, we build an information theoretic counterfactual variational information bottleneck (CVIB), as an alternative for debiasing learning without RCTs. By separating the task-aware mutual information term in the original information bottleneck Lagrangian into factual and counterfactual parts, we derive a contrastive information loss and an additional output confidence penalty, which facilitates balanced learning between the factual and counterfactual domains. Empirical evaluation on real-world datasets shows that our CVIB significantly enhances both shallow and deep models, which sheds light on counterfactual learning in recommendation that goes beyond RCTs.

We introduce Transductive Infomation Maximization (TIM) for few-shot learning. Our method maximizes the mutual information between the query features and their label predictions for a given few-shot task, in conjunction with a supervision loss based on the support set. Furthermore, we propose a new alternating-direction solver for our mutual-information loss, which substantially speeds up transductive inference convergence over gradient-based optimization, while yielding similar accuracy. TIM inference is modular: it can be used on top of any base-training feature extractor. Following standard transductive few-shot settings, our comprehensive experiments demonstrate that TIM outperforms state-of-the-art methods significantly across various datasets and networks, while used on top of a fixed feature extractor trained with simple cross-entropy on the base classes, without resorting to complex meta-learning schemes. It consistently brings between 2% and 5% improvement in accuracy over the best performing method, not only on all the well-established few-shot benchmarks but also on more challenging scenarios, with domain shifts and larger numbers of classes.

How can we plan efficiently in real time to control an agent in a complex environment that may involve many other agents? While existing sample-based planners have enjoyed empirical success in large POMDPs, their performance heavily relies on a fast simulator. However, real-world scenarios are complex in nature and their simulators are often computationally demanding, which severely limits the performance of online planners. In this work, we propose influence-augmented online planning, a principled method to transform a factored simulator of the entire environment into a local simulator that samples only the state variables that are most relevant to the observation and reward of the planning agent and captures the incoming influence from the rest of the environment using machine learning methods. Our main experimental results show that planning on this less accurate but much faster local simulator with POMCP leads to higher real-time planning performance than planning on the simulator that models the entire environment.