NeurIPS 2021 论文列表

Complex activities often involve multiple humans utilizing different objects to complete actions (e.g., in healthcare settings, physicians, nurses, and patients interact with each other and various medical devices). Recognizing activities poses a challenge that requires a detailed understanding of actors' roles, objects' affordances, and their associated relationships. Furthermore, these purposeful activities are composed of multiple achievable steps, including sub-activities and atomic actions, which jointly define a hierarchy of action parts. This paper introduces Activity Parsing as the overarching task of temporal segmentation and classification of activities, sub-activities, atomic actions, along with an instance-level understanding of actors, objects, and their relationships in videos. Involving multiple entities (actors and objects), we argue that traditional pair-wise relationships, often used in scene or action graphs, do not appropriately represent the dynamics between them. Hence, we introduce Action Hypergraph, a spatial-temporal graph containing hyperedges (i.e., edges with higher-order relationships), as a new representation. In addition, we introduce Multi-Object Multi-Actor (MOMA), the first benchmark and dataset dedicated to activity parsing. Lastly, to parse a video, we propose the HyperGraph Activity Parsing (HGAP) network, which outperforms several baselines, including those based on regular graphs and raw video data.

Computational level explanations based on optimal feedback control with signal-dependent noise have been able to account for a vast array of phenomena in human sensorimotor behavior. However, commonly a cost function needs to be assumed for a task and the optimality of human behavior is evaluated by comparing observed and predicted trajectories. Here, we introduce inverse optimal control with signal-dependent noise, which allows inferring the cost function from observed behavior. To do so, we formalize the problem as a partially observable Markov decision process and distinguish between the agent’s and the experimenter’s inference problems. Specifically, we derive a probabilistic formulation of the evolution of states and belief states and an approximation to the propagation equation in the linear-quadratic Gaussian problem with signal-dependent noise. We extend the model to the case of partial observability of state variables from the point of view of the experimenter. We show the feasibility of the approach through validation on synthetic data and application to experimental data. Our approach enables recovering the costs and benefits implicit in human sequential sensorimotor behavior, thereby reconciling normative and descriptive approaches in a computational framework.

Learned models of the environment provide reinforcement learning (RL) agents with flexible ways of making predictions about the environment. Models enable planning, i.e. using more computation to improve value functions or policies, without requiring additional environment interactions. In this work, we investigate a way of augmenting model-based RL, by additionally encouraging a learned model and value function to be jointly \emph{self-consistent}. This lies in contrast to classic planning methods like Dyna, which only update the value function to be consistent with the model. We propose a number of possible self-consistency updates, study them empirically in both the tabular and function approximation settings, and find that with appropriate choices self-consistency can be useful both for policy evaluation and control.

Meta learning approaches to few-shot classification are computationally efficient at test time, requiring just a few optimization steps or single forward pass to learn a new task, but they remain highly memory-intensive to train. This limitation arises because a task's entire support set, which can contain up to 1000 images, must be processed before an optimization step can be taken. Harnessing the performance gains offered by large images thus requires either parallelizing the meta-learner across multiple GPUs, which may not be available, or trade-offs between task and image size when memory constraints apply. We improve on both options by proposing LITE, a general and memory efficient episodic training scheme that enables meta-training on large tasks composed of large images on a single GPU. We achieve this by observing that the gradients for a task can be decomposed into a sum of gradients over the task's training images. This enables us to perform a forward pass on a task's entire training set but realize significant memory savings by back-propagating only a random subset of these images which we show is an unbiased approximation of the full gradient. We use LITE to train meta-learners and demonstrate new state-of-the-art accuracy on the real-world ORBIT benchmark and 3 of the 4 parts of the challenging VTAB+MD benchmark relative to leading meta-learners. LITE also enables meta-learners to be competitive with transfer learning approaches but at a fraction of the test-time computational cost, thus serving as a counterpoint to the recent narrative that transfer learning is all you need for few-shot classification.

When applying a stochastic algorithm, one must choose an order to draw samples. The practical choices are without-replacement sampling orders, which are empirically faster and more cache-friendly than uniform-iid-sampling but often have inferior theoretical guarantees. Without-replacement sampling is well understood only for SGD without variance reduction. In this paper, we will improve the convergence analysis and rates of variance reduction under without-replacement sampling orders for composite finite-sum minimization. Our results are in two-folds. First, we develop a damped variant of Finito called Prox-DFinito and establish its convergence rates with random reshuffling, cyclic sampling, and shuffling-once, under both generally and strongly convex scenarios. These rates match full-batch gradient descent and are state-of-the-art compared to the existing results for without-replacement sampling with variance-reduction. Second, our analysis can gauge how the cyclic order will influence the rate of cyclic sampling and, thus, allows us to derive the optimal fixed ordering. In the highly data-heterogeneous scenario, Prox-DFinito with optimal cyclic sampling can attain a sample-size-independent convergence rate, which, to our knowledge, is the first result that can match with uniform-iid-sampling with variance reduction. We also propose a practical method to discover the optimal cyclic ordering numerically.

In overparametrized models, the noise in stochastic gradient descent (SGD) implicitly regularizes the optimization trajectory and determines which local minimum SGD converges to. Motivated by empirical studies that demonstrate that training with noisy labels improves generalization, we study the implicit regularization effect of SGD with label noise. We show that SGD with label noise converges to a stationary point of a regularized loss $L(\theta) +\lambda R(\theta)$, where $L(\theta)$ is the training loss, $\lambda$ is an effective regularization parameter depending on the step size, strength of the label noise, and the batch size, and $R(\theta)$ is an explicit regularizer that penalizes sharp minimizers. Our analysis uncovers an additional regularization effect of large learning rates beyond the linear scaling rule that penalizes large eigenvalues of the Hessian more than small ones. We also prove extensions to classification with general loss functions, significantly strengthening the prior work of Blanc et al. to global convergence and large learning rates and of HaoChen et al. to general models.

We present a novel generative modeling method called diffusion normalizing flow based on stochastic differential equations (SDEs). The algorithm consists of two neural SDEs: a forward SDE that gradually adds noise to the data to transform the data into Gaussian random noise, and a backward SDE that gradually removes the noise to sample from the data distribution. By jointly training the two neural SDEs to minimize a common cost function that quantifies the difference between the two, the backward SDE converges to a diffusion process the starts with a Gaussian distribution and ends with the desired data distribution. Our method is closely related to normalizing flow and diffusion probabilistic models, and can be viewed as a combination of the two. Compared with normalizing flow, diffusion normalizing flow is able to learn distributions with sharp boundaries. Compared with diffusion probabilistic models, diffusion normalizing flow requires fewer discretization steps and thus has better sampling efficiency. Our algorithm demonstrates competitive performance in both high-dimension data density estimation and image generation tasks.

Robust Markov decision processes (MDPs) aim to handle changing or partially known system dynamics. To solve them, one typically resorts to robust optimization methods. However, this significantly increases computational complexity and limits scalability in both learning and planning. On the other hand, regularized MDPs show more stability in policy learning without impairing time complexity. Yet, they generally do not encompass uncertainty in the model dynamics. In this work, we aim to learn robust MDPs using regularization. We first show that regularized MDPs are a particular instance of robust MDPs with uncertain reward. We thus establish that policy iteration on reward-robust MDPs can have the same time complexity as on regularized MDPs. We further extend this relationship to MDPs with uncertain transitions: this leads to a regularization term with an additional dependence on the value function. We finally generalize regularized MDPs to twice regularized MDPs (R${}^2$ MDPs), i.e., MDPs with $\textit{both}$ value and policy regularization. The corresponding Bellman operators enable developing policy iteration schemes with convergence and robustness guarantees. It also reduces planning and learning in robust MDPs to regularized MDPs.

Adversarial training is a powerful type of defense against adversarial examples. Previous empirical results suggest that adversarial training requires wider networks for better performances. However, it remains elusive how does neural network width affect model robustness. In this paper, we carefully examine the relationship between network width and model robustness. Specifically, we show that the model robustness is closely related to the tradeoff between natural accuracy and perturbation stability, which is controlled by the robust regularization parameter λ. With the same λ, wider networks can achieve better natural accuracy but worse perturbation stability, leading to a potentially worse overall model robustness. To understand the origin of this phenomenon, we further relate the perturbation stability with the network's local Lipschitzness. By leveraging recent results on neural tangent kernels, we theoretically show that wider networks tend to have worse perturbation stability. Our analyses suggest that: 1) the common strategy of first fine-tuning λ on small networks and then directly use it for wide model training could lead to deteriorated model robustness; 2) one needs to properly enlarge λ to unleash the robustness potential of wider models fully. Finally, we propose a new Width Adjusted Regularization (WAR) method that adaptively enlarges λ on wide models and significantly saves the tuning time.

We study the optimization problem associated with fitting two-layer ReLU neural networks with respect to the squared loss, where labels are generated by a target network. We make use of the rich symmetry structure to develop a novel set of tools for studying families of spurious minima. In contrast to existing approaches which operate in limiting regimes, our technique directly addresses the nonconvex loss landscape for finite number of inputs $d$ and neurons $k$, and provides analytic, rather than heuristic, information. In particular, we derive analytic estimates for the loss at different minima, and prove that, modulo $O(d^{-1/2})$-terms, the Hessian spectrum concentrates near small positive constants, with the exception of $\Theta(d)$ eigenvalues which grow linearly with~$d$. We further show that the Hessian spectrum at global and spurious minima coincide to $O(d^{-1/2})$-order, thus challenging our ability to argue about statistical generalization through local curvature. Lastly, our technique provides the exact \emph{fractional} dimensionality at which families of critical points turn from saddles into spurious minima. This makes possible the study of the creation and the annihilation of spurious minima using powerful tools from equivariant bifurcation theory.

In this paper, we consider the problem of finding high dimensional power means: given a set $A$ of $n$ points in $\R^d$, find the point $m$ that minimizes the sum of Euclidean distance, raised to the power $z$, over all input points. Special cases of problem include the well-known Fermat-Weber problem -- or geometric median problem -- where $z = 1$, the mean or centroid where $z=2$, and the Minimum Enclosing Ball problem, where $z = \infty$. We consider these problem in the big data regime. Here, we are interested in sampling as few points as possible such that we can accurately estimate $m$. More specifically, we consider sublinear algorithms as well as coresets for these problems. Sublinear algorithms have a random query access to the $A$ and the goal is to minimize the number of queries. Here, we show that $\tilde{O}(\varepsilon^{-z-3})$ samples are sufficient to achieve a $(1+\varepsilon)$ approximation, generalizing the results from Cohen, Lee, Miller, Pachocki, and Sidford [STOC '16] and Inaba, Katoh, and Imai [SoCG '94] to arbitrary $z$. Moreover, we show that this bound is nearly optimal, as any algorithm requires at least $\Omega(\varepsilon^{-z+1})$ queries to achieve said approximation. The second contribution are coresets for these problems, where we aim to find find a small, weighted subset of the points which approximate cost of every candidate point $c\in \mathbb{R}^d$ up to a $(1\pm\varepsilon)$ factor. Here, we show that $\tilde{O}(\varepsilon^{-2})$ points are sufficient, improving on the $\tilde{O}(d\varepsilon^{-2})$ bound by Feldman and Langberg [STOC '11] and the $\tilde{O}(\varepsilon^{-4})$ bound by Braverman, Jiang, Krauthgamer, and Wu [SODA 21].

In complex systems, we often observe complex global behavior emerge from a collection of agents interacting with each other in their environment, with each individual agent acting only on locally available information, without knowing the full picture. Such systems have inspired development of artificial intelligence algorithms in areas such as swarm optimization and cellular automata. Motivated by the emergence of collective behavior from complex cellular systems, we build systems that feed each sensory input from the environment into distinct, but identical neural networks, each with no fixed relationship with one another. We show that these sensory networks can be trained to integrate information received locally, and through communication via an attention mechanism, can collectively produce a globally coherent policy. Moreover, the system can still perform its task even if the ordering of its inputs is randomly permuted several times during an episode. These permutation invariant systems also display useful robustness and generalization properties that are broadly applicable. Interactive demo and videos of our results: https://attentionneuron.github.io

Advances in unsupervised learning of object-representations have culminated in the development of a broad range of methods for unsupervised object segmentation and interpretable object-centric scene generation. These methods, however, are limited to simulated and real-world datasets with limited visual complexity. Moreover, object representations are often inferred using RNNs which do not scale well to large images or iterative refinement which avoids imposing an unnatural ordering on objects in an image but requires the a priori initialisation of a fixed number of object representations. In contrast to established paradigms, this work proposes an embedding-based approach in which embeddings of pixels are clustered in a differentiable fashion using a stochastic stick-breaking process. Similar to iterative refinement, this clustering procedure also leads to randomly ordered object representations, but without the need of initialising a fixed number of clusters a priori. This is used to develop a new model, GENESIS-v2, which can infer a variable number of object representations without using RNNs or iterative refinement. We show that GENESIS-v2 performs strongly in comparison to recent baselines in terms of unsupervised image segmentation and object-centric scene generation on established synthetic datasets as well as more complex real-world datasets.

Diet planning, a basic and regular human activity, is important to all individuals. Children, adults, the healthy, and the infirm all profit from diet planning. Many recent attempts have been made to develop machine learning (ML) applications related to diet planning. However, given the complexity and difficulty of implementing this task, no high-quality diet-level dataset exists at present. Professionals, particularly dietitians and physicians, would benefit greatly from such a dataset and ML application. In this work, we create and publish the Korean Menus–Ingredients–Nutrients–Diets (MIND) dataset for a ML application regarding diet planning and dietary health research. The nature of diet planning entails both explicit (nutrition) and implicit (composition) requirements. Thus, the MIND dataset was created by integrating input from experts who considered implicit data requirements for diet solution with the capabilities of an operations research (OR) model that specifies and applies explicit data requirements for diet solution and a controllable generative machine that automates the high-quality diet generation process. MIND consists of data from 1,500 South Korean daily diets, 3,238 menus, and 3,036 ingredients. MIND considers the daily recommended dietary intake of 14 major nutrients. MIND can be easily downloaded and analyzed using the Python package dietkit accessible via the package installer for Python. MIND is expected to contribute to the use of ML in solving medical, economic, and social problems associated with diet planning. Furthermore, our approach of integrating data from experts with OR and ML models is expected to promote the use of ML in other fields that require the generation of high-quality synthetic professional task data, especially since the use of ML to automate and support professional tasks has become a highly valuable service.

Automated machine learning (AutoML) can make data scientists more productive. But if machine learning is totally automated, that leaves no room for data scientists to apply their intuition. Hence, data scientists often prefer not total but gradual automation, where they control certain choices and AutoML explores the rest. Unfortunately, gradual AutoML is cumbersome with state-of-the-art tools, requiring large non-compositional code changes. More concise compositional code can be achieved with combinators, a powerful concept from functional programming. This paper introduces a small set of orthogonal combinators for composing machine-learning operators into pipelines. It describes a translation scheme from pipelines and associated hyperparameter schemas to search spaces for AutoML optimizers. On that foundation, this paper presents Lale, an open-source sklearn-compatible AutoML library, and evaluates it with a user study.

Reinforcement learning (RL) is typically viewed as the problem of estimating single-step policies (for model-free RL) or single-step models (for model-based RL), leveraging the Markov property to factorize the problem in time. However, we can also view RL as a sequence modeling problem: predict a sequence of actions that leads to a sequence of high rewards. Viewed in this way, it is tempting to consider whether powerful, high-capacity sequence prediction models that work well in other supervised learning domains, such as natural-language processing, can also provide simple and effective solutions to the RL problem. To this end, we explore how RL can be reframed as "one big sequence modeling" problem, using state-of-the-art Transformer architectures to model distributions over sequences of states, actions, and rewards. Addressing RL as a sequence modeling problem significantly simplifies a range of design decisions: we no longer require separate behavior policy constraints, as is common in prior work on offline model-free RL, and we no longer require ensembles or other epistemic uncertainty estimators, as is common in prior work on model-based RL. All of these roles are filled by the same Transformer sequence model. In our experiments, we demonstrate the flexibility of this approach across imitation learning, goal-conditioned RL, and offline RL.

Deep Learning methods are known to suffer from calibration issues: they typically produce over-confident estimates. These problems are exacerbated in the low data regime. Although the calibration of probabilistic models is well studied, calibrating extremely over-parametrized models in the low-data regime presents unique challenges. We show that deep-ensembles do not necessarily lead to improved calibration properties. In fact, we show that standard ensembling methods, when used in conjunction with modern techniques such as mixup regularization, can lead to less calibrated models. This text examines the interplay between three of the most simple and commonly used approaches to leverage deep learning when data is scarce: data-augmentation, ensembling, and post-processing calibration methods. We demonstrate that, although standard ensembling techniques certainly help to boost accuracy, the calibration of deep ensembles relies on subtle trade-offs. We also find that calibration methods such as temperature scaling need to be slightly tweaked when used with deep-ensembles and, crucially, need to be executed after the averaging process. Our simulations indicate that, in the low data regime, this simple strategy can halve the Expected Calibration Error (ECE) on a range of benchmark classification problems when compared to standard deep-ensembles.

Reinforcement learning agents often forget details of the past, especially after delays or distractor tasks. Agents with common memory architectures struggle to recall and integrate across multiple timesteps of a past event, or even to recall the details of a single timestep that is followed by distractor tasks. To address these limitations, we propose a Hierarchical Chunk Attention Memory (HCAM), that helps agents to remember the past in detail. HCAM stores memories by dividing the past into chunks, and recalls by first performing high-level attention over coarse summaries of the chunks, and then performing detailed attention within only the most relevant chunks. An agent with HCAM can therefore "mentally time-travel"--remember past events in detail without attending to all intervening events. We show that agents with HCAM substantially outperform agents with other memory architectures at tasks requiring long-term recall, retention, or reasoning over memory. These include recalling where an object is hidden in a 3D environment, rapidly learning to navigate efficiently in a new neighborhood, and rapidly learning and retaining new words. Agents with HCAM can extrapolate to task sequences much longer than they were trained on, and can even generalize zero-shot from a meta-learning setting to maintaining knowledge across episodes. HCAM improve agent sample efficiency, generalization, and generality (by solving tasks that previously required specialized architectures). Our work is a step towards agents that can learn, interact, and adapt in complex and temporally-extended environments.

Causal effect identification is concerned with determining whether a causal effect is computable from a combination of qualitative assumptions about the underlying system (e.g., a causal graph) and distributions collected from this system. Many identification algorithms exclusively rely on graphical criteria made of a non-trivial combination of probability axioms, do-calculus, and refined c-factorization (e.g., Lee & Bareinboim, 2020). In a sequence of increasingly sophisticated results, it has been shown how proxy variables can be used to identify certain effects that would not be otherwise recoverable in challenging scenarios through solving matrix equations (e.g., Kuroki & Pearl, 2014; Miao et al., 2018). In this paper, we develop a new causal identification algorithm which utilizes both graphical criteria and matrix equations. Specifically, we first characterize the relationships between certain graphically-driven formulae and matrix multiplications. With such characterizations, we broaden the spectrum of proxy variable based identification conditions and further propose novel intermediary criteria based on the pseudoinverse of a matrix. Finally, we devise a causal effect identification algorithm, which accepts as input a collection of marginal, conditional, and interventional distributions, integrating enriched matrix-based criteria into a graphical identification approach.