OpenRaiser/Intern-Atlas huggingface dataset:
Learning interaction rules from multi-animal trajectories via augmented behavioral models
Venue: Conference NeurIPS 2021
Year: 2021

Extracting the interaction rules of biological agents from movement sequences pose challenges in various domains. Granger causality is a practical framework for analyzing the interactions from observed time-series data; however, this framework ignores the structures and assumptions of the generative process in animal behaviors, which may lead to interpretational problems and sometimes erroneous assessments of causality. In this paper, we propose a new framework for learning Granger causality from multi-animal trajectories via augmented theory-based behavioral models with interpretable data-driven models. We adopt an approach for augmenting incomplete multi-agent behavioral models described by time-varying dynamical systems with neural networks. For efficient and interpretable learning, our model leverages theory-based architectures separating navigation and motion processes, and the theory-guided regularization for reliable behavioral modeling. This can provide interpretable signs of Granger-causal effects over time, i.e., when specific others cause the approach or separation. In experiments using synthetic datasets, our method achieved better performance than various baselines. We then analyzed multi-animal datasets of mice, flies, birds, and bats, which verified our method and obtained novel biological insights.
Make Sure You're Unsure: A Framework for Verifying Probabilistic Specifications
Venue: Conference NeurIPS 2021
Year: 2021

Most real world applications require dealing with stochasticity like sensor noise or predictive uncertainty, where formal specifications of desired behavior are inherently probabilistic. Despite the promise of formal verification in ensuring the reliability of neural networks, progress in the direction of probabilistic specifications has been limited. In this direction, we first introduce a general formulation of probabilistic specifications for neural networks, which captures both probabilistic networks (e.g., Bayesian neural networks, MC-Dropout networks) and uncertain inputs (distributions over inputs arising from sensor noise or other perturbations). We then propose a general technique to verify such specifications by generalizing the notion of Lagrangian duality, replacing standard Lagrangian multipliers with "functional multipliers" that can be arbitrary functions of the activations at a given layer. We show that an optimal choice of functional multipliers leads to exact verification (i.e., sound and complete verification), and for specific forms of multipliers, we develop tractable practical verification algorithms. We empirically validate our algorithms by applying them to Bayesian Neural Networks (BNNs) and MC Dropout Networks, and certifying properties such as adversarial robustness and robust detection of out-of-distribution (OOD) data. On these tasks we are able to provide significantly stronger guarantees when compared to prior work -- for instance, for a VGG-64 MC-Dropout CNN trained on CIFAR-10, we improve the certified AUC (a verified lower bound on the true AUC) for robust OOD detection (on CIFAR-100) from $0\% \rightarrow 29\%$. Similarly, for a BNN trained on MNIST, we improve on the robust accuracy from $60.2\% \rightarrow 74.6\%$. Further, on a novel specification -- distributionally robust OOD detection -- we improve the certified AUC from $5\% \rightarrow 23\%$.
Oracle-Efficient Regret Minimization in Factored MDPs with Unknown Structure
Venue: Conference NeurIPS 2021
Year: 2021

We study regret minimization in non-episodic factored Markov decision processes (FMDPs), where all existing algorithms make the strong assumption that the factored structure of the FMDP is known to the learner in advance. In this paper, we provide the first algorithm that learns the structure of the FMDP while minimizing the regret. Our algorithm is based on the optimism in face of uncertainty principle, combined with a simple statistical method for structure learning, and can be implemented efficiently given oracle-access to an FMDP planner. Moreover, we give a variant of our algorithm that remains efficient even when the oracle is limited to non-factored actions, which is the case with almost all existing approximate planners. Finally, we leverage our techniques to prove a novel lower bound for the known structure case, closing the gap to the regret bound of Chen et al. [2021].
Controlling Neural Networks with Rule Representations
Venue: Conference NeurIPS 2021
Year: 2021

We propose a novel training method that integrates rules into deep learning, in a way the strengths of the rules are controllable at inference. Deep Neural Networks with Controllable Rule Representations (DeepCTRL) incorporates a rule encoder into the model coupled with a rule-based objective, enabling a shared representation for decision making. DeepCTRL is agnostic to data type and model architecture. It can be applied to any kind of rule defined for inputs and outputs. The key aspect of DeepCTRL is that it does not require retraining to adapt the rule strength -- at inference, the user can adjust it based on the desired operation point on accuracy vs. rule verification ratio. In real-world domains where incorporating rules is critical -- such as Physics, Retail and Healthcare -- we show the effectiveness of DeepCTRL in teaching rules for deep learning. DeepCTRL improves the trust and reliability of the trained models by significantly increasing their rule verification ratio, while also providing accuracy gains at downstream tasks. Additionally, DeepCTRL enables novel use cases such as hypothesis testing of the rules on data samples, and unsupervised adaptation based on shared rules between datasets.
Subquadratic Overparameterization for Shallow Neural Networks
Venue: Conference NeurIPS 2021
Year: 2021

Overparameterization refers to the important phenomenon where the width of a neural network is chosen such that learning algorithms can provably attain zero loss in nonconvex training. The existing theory establishes such global convergence using various initialization strategies, training modifications, and width scalings. In particular, the state-of-the-art results require the width to scale quadratically with the number of training data under standard initialization strategies used in practice for best generalization performance. In contrast, the most recent results obtain linear scaling either with requiring initializations that lead to the "lazy-training", or training only a single layer. In this work, we provide an analytical framework that allows us to adopt standard initialization strategies, possibly avoid lazy training, and train all layers simultaneously in basic shallow neural networks while attaining a desirable subquadratic scaling on the network width. We achieve the desiderata via Polyak-Lojasiewicz condition, smoothness, and standard assumptions on data, and use tools from random matrix theory.
Continuous Doubly Constrained Batch Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

Reliant on too many experiments to learn good actions, current Reinforcement Learning (RL) algorithms have limited applicability in real-world settings, which can be too expensive to allow exploration. We propose an algorithm for batch RL, where effective policies are learned using only a fixed offline dataset instead of online interactions with the environment. The limited data in batch RL produces inherent uncertainty in value estimates of states/actions that were insufficiently represented in the training data. This leads to particularly severe extrapolation when our candidate policies diverge from one that generated the data. We propose to mitigate this issue via two straightforward penalties: a policy-constraint to reduce this divergence and a value-constraint that discourages overly optimistic estimates. Over a comprehensive set of 32 continuous-action batch RL benchmarks, our approach compares favorably to state-of-the-art methods, regardless of how the offline data were collected.
Bridging Explicit and Implicit Deep Generative Models via Neural Stein Estimators
Venue: Conference NeurIPS 2021
Year: 2021

There are two types of deep generative models: explicit and implicit. The former defines an explicit density form that allows likelihood inference; while the latter targets a flexible transformation from random noise to generated samples. While the two classes of generative models have shown great power in many applications, both of them, when used alone, suffer from respective limitations and drawbacks. To take full advantages of both models and enable mutual compensation, we propose a novel joint training framework that bridges an explicit (unnormalized) density estimator and an implicit sample generator via Stein discrepancy. We show that our method 1) induces novel mutual regularization via kernel Sobolev norm penalization and Moreau-Yosida regularization, and 2) stabilizes the training dynamics. Empirically, we demonstrate that proposed method can facilitate the density estimator to more accurately identify data modes and guide the generator to output higher-quality samples, comparing with training a single counterpart. The new approach also shows promising results when the training samples are contaminated or limited.
Bootstrap Your Object Detector via Mixed Training
Venue: Conference NeurIPS 2021
Year: 2021

We introduce MixTraining, a new training paradigm for object detection that can improve the performance of existing detectors for free. MixTraining enhances data augmentation by utilizing augmentations of different strengths while excluding the strong augmentations of certain training samples that may be detrimental to training. In addition, it addresses localization noise and missing labels in human annotations by incorporating pseudo boxes that can compensate for these errors. Both of these MixTraining capabilities are made possible through bootstrapping on the detector, which can be used to predict the difficulty of training on a strong augmentation, as well as to generate reliable pseudo boxes thanks to the robustness of neural networks to labeling error. MixTraining is found to bring consistent improvements across various detectors on the COCO dataset. In particular, the performance of Faster R-CNN \cite{ren2015faster} with a ResNet-50 \cite{he2016deep} backbone is improved from 41.7 mAP to 44.0 mAP, and the accuracy of Cascade-RCNN \cite{cai2018cascade} with a Swin-Small \cite{liu2021swin} backbone is raised from 50.9 mAP to 52.8 mAP. The code and models will be made publicly available at \url{https://github.com/MendelXu/MixTraining}.
One Explanation is Not Enough: Structured Attention Graphs for Image Classification
Venue: Conference NeurIPS 2021
Year: 2021

Attention maps are a popular way of explaining the decisions of convolutional networks for image classification. Typically, for each image of interest, a single attention map is produced, which assigns weights to pixels based on their importance to the classification. A single attention map, however, provides an incomplete understanding since there are often many other maps that explain a classification equally well. In this paper, we introduce structured attention graphs (SAGs), which compactly represent sets of attention maps for an image by capturing how different combinations of image regions impact a classifier's confidence. We propose an approach to compute SAGs and a visualization for SAGs so that deeper insight can be gained into a classifier's decisions. We conduct a user study comparing the use of SAGs to traditional attention maps for answering counterfactual questions about image classifications. Our results show that the users are more correct when answering comparative counterfactual questions based on SAGs compared to the baselines.
Integrating Expert ODEs into Neural ODEs: Pharmacology and Disease Progression
Venue: Conference NeurIPS 2021
Year: 2021

Modeling a system's temporal behaviour in reaction to external stimuli is a fundamental problem in many areas. Pure Machine Learning (ML) approaches often fail in the small sample regime and cannot provide actionable insights beyond predictions. A promising modification has been to incorporate expert domain knowledge into ML models. The application we consider is predicting the progression of disease under medications, where a plethora of domain knowledge is available from pharmacology. Pharmacological models describe the dynamics of carefully-chosen medically meaningful variables in terms of systems of Ordinary Differential Equations (ODEs). However, these models only describe a limited collection of variables, and these variables are often not observable in clinical environments. To close this gap, we propose the latent hybridisation model (LHM) that integrates a system of expert-designed ODEs with machine-learned Neural ODEs to fully describe the dynamics of the system and to link the expert and latent variables to observable quantities. We evaluated LHM on synthetic data as well as real-world intensive care data of COVID-19 patients. LHM consistently outperforms previous works, especially when few training samples are available such as at the beginning of the pandemic.
Shifted Chunk Transformer for Spatio-Temporal Representational Learning
Venue: Conference NeurIPS 2021
Year: 2021

Spatio-temporal representational learning has been widely adopted in various fields such as action recognition, video object segmentation, and action anticipation. Previous spatio-temporal representational learning approaches primarily employ ConvNets or sequential models,e.g., LSTM, to learn the intra-frame and inter-frame features. Recently, Transformer models have successfully dominated the study of natural language processing (NLP), image classification, etc. However, the pure-Transformer based spatio-temporal learning can be prohibitively costly on memory and computation to extract fine-grained features from a tiny patch. To tackle the training difficulty and enhance the spatio-temporal learning, we construct a shifted chunk Transformer with pure self-attention blocks. Leveraging the recent efficient Transformer design in NLP, this shifted chunk Transformer can learn hierarchical spatio-temporal features from a local tiny patch to a global video clip. Our shifted self-attention can also effectively model complicated inter-frame variances. Furthermore, we build a clip encoder based on Transformer to model long-term temporal dependencies. We conduct thorough ablation studies to validate each component and hyper-parameters in our shifted chunk Transformer, and it outperforms previous state-of-the-art approaches on Kinetics-400, Kinetics-600, UCF101, and HMDB51.
Littlestone Classes are Privately Online Learnable
Venue: Conference NeurIPS 2021
Year: 2021

We consider the problem of online classification under a privacy constraint. In this setting a learner observes sequentially a stream of labelled examples $(x_t, y_t)$, for $1 \leq t \leq T$, and returns at each iteration $t$ a hypothesis $h_t$ which is used to predict the label of each new example $x_t$. The learner's performance is measured by her regret against a known hypothesis class $\mathcal{H}$. We require that the algorithm satisfies the following privacy constraint: the sequence $h_1, \ldots, h_T$ of hypotheses output by the algorithm needs to be an $(ε, δ)$-differentially private function of the whole input sequence $(x_1, y_1), \ldots, (x_T, y_T)$. We provide the first non-trivial regret bound for the realizable setting. Specifically, we show that if the class $\mathcal{H}$ has constant Littlestone dimension then, given an oblivious sequence of labelled examples, there is a private learner that makes in expectation at most $O(\log T)$ mistakes -- comparable to the optimal mistake bound in the non-private case, up to a logarithmic factor. Moreover, for general values of the Littlestone dimension $d$, the same mistake bound holds but with a doubly-exponential in $d$ factor. A recent line of work has demonstrated a strong connection between classes that are online learnable and those that are differentially-private learnable. Our results strengthen this connection and show that an online learning algorithm can in fact be directly privatized (in the realizable setting). We also discuss an adaptive setting and provide a sublinear regret bound of $O(\sqrt{T})$.
Conservative Data Sharing for Multi-Task Offline Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

Offline reinforcement learning (RL) algorithms have shown promising results in domains where abundant pre-collected data is available. However, prior methods focus on solving individual problems from scratch with an offline dataset without considering how an offline RL agent can acquire multiple skills. We argue that a natural use case of offline RL is in settings where we can pool large amounts of data collected in various scenarios for solving different tasks, and utilize all of this data to learn behaviors for all the tasks more effectively rather than training each one in isolation. However, sharing data across all tasks in multi-task offline RL performs surprisingly poorly in practice. Thorough empirical analysis, we find that sharing data can actually exacerbate the distributional shift between the learned policy and the dataset, which in turn can lead to divergence of the learned policy and poor performance. To address this challenge, we develop a simple technique for data-sharing in multi-task offline RL that routes data based on the improvement over the task-specific data. We call this approach conservative data sharing (CDS), and it can be applied with multiple single-task offline RL methods. On a range of challenging multi-task locomotion, navigation, and vision-based robotic manipulation problems, CDS achieves the best or comparable performance compared to prior offline multi-task RL methods and previous data sharing approaches.
Universal Rate-Distortion-Perception Representations for Lossy Compression
Venue: Conference NeurIPS 2021
Year: 2021

In the context of lossy compression, Blau & Michaeli (2019) adopt a mathematical notion of perceptual quality and define the information rate-distortion-perception function, generalizing the classical rate-distortion tradeoff. We consider the notion of universal representations in which one may fix an encoder and vary the decoder to achieve any point within a collection of distortion and perception constraints. We prove that the corresponding information-theoretic universal rate-distortion-perception function is operationally achievable in an approximate sense. Under MSE distortion, we show that the entire distortion-perception tradeoff of a Gaussian source can be achieved by a single encoder of the same rate asymptotically. We then characterize the achievable distortion-perception region for a fixed representation in the case of arbitrary distributions, identify conditions under which the aforementioned results continue to hold approximately, and study the case when the rate is not fixed in advance. This motivates the study of practical constructions that are approximately universal across the RDP tradeoff, thereby alleviating the need to design a new encoder for each objective. We provide experimental results on MNIST and SVHN suggesting that on image compression tasks, the operational tradeoffs achieved by machine learning models with a fixed encoder suffer only a small penalty when compared to their variable encoder counterparts.
Replacing Rewards with Examples: Example-Based Policy Search via Recursive Classification
Venue: Conference NeurIPS 2021
Year: 2021

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 RL 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.
Hierarchical Skills for Efficient Exploration
Venue: Conference NeurIPS 2021
Year: 2021

In reinforcement learning, pre-trained low-level skills have the potential to greatly facilitate exploration. However, prior knowledge of the downstream task is required to strike the right balance between generality (fine-grained control) and specificity (faster learning) in skill design. In previous work on continuous control, the sensitivity of methods to this trade-off has not been addressed explicitly, as locomotion provides a suitable prior for navigation tasks, which have been of foremost interest. In this work, we analyze this trade-off for low-level policy pre-training with a new benchmark suite of diverse, sparse-reward tasks for bipedal robots. We alleviate the need for prior knowledge by proposing a hierarchical skill learning framework that acquires skills of varying complexity in an unsupervised manner. For utilization on downstream tasks, we present a three-layered hierarchical learning algorithm to automatically trade off between general and specific skills as required by the respective task. In our experiments, we show that our approach performs this trade-off effectively and achieves better results than current state-of-the-art methods for end- to-end hierarchical reinforcement learning and unsupervised skill discovery. Code and videos are available at https://facebookresearch.github.io/hsd3 .
Evidential Softmax for Sparse Multimodal Distributions in Deep Generative Models
Venue: Conference NeurIPS 2021
Year: 2021

Many applications of generative models rely on the marginalization of their high-dimensional output probability distributions. Normalization functions that yield sparse probability distributions can make exact marginalization more computationally tractable. However, sparse normalization functions usually require alternative loss functions for training since the log-likelihood is undefined for sparse probability distributions. Furthermore, many sparse normalization functions often collapse the multimodality of distributions. In this work, we present $\textit{ev-softmax}$, a sparse normalization function that preserves the multimodality of probability distributions. We derive its properties, including its gradient in closed-form, and introduce a continuous family of approximations to $\textit{ev-softmax}$ that have full support and can be trained with probabilistic loss functions such as negative log-likelihood and Kullback-Leibler divergence. We evaluate our method on a variety of generative models, including variational autoencoders and auto-regressive architectures. Our method outperforms existing dense and sparse normalization techniques in distributional accuracy. We demonstrate that $\textit{ev-softmax}$ successfully reduces the dimensionality of probability distributions while maintaining multimodality.