OpenRaiser/Intern-Atlas huggingface dataset:
Offline Reinforcement Learning as One Big Sequence Modeling Problem
Venue: Conference NeurIPS 2021
Year: 2021

Reinforcement learning (RL) is typically concerned with estimating stationary policies or single-step models, leveraging the Markov property to factorize problems in time. However, we can also view RL as a generic sequence modeling problem, with the goal being to produce a sequence of actions that leads to a sequence of high rewards. Viewed in this way, it is tempting to consider whether high-capacity sequence prediction models that work well in other domains, such as natural-language processing, can also provide effective solutions to the RL problem. To this end, we explore how RL can be tackled with the tools of sequence modeling, using a Transformer architecture to model distributions over trajectories and repurposing beam search as a planning algorithm. Framing RL as sequence modeling problem simplifies a range of design decisions, allowing us to dispense with many of the components common in offline RL algorithms. We demonstrate the flexibility of this approach across long-horizon dynamics prediction, imitation learning, goal-conditioned RL, and offline RL. Further, we show that this approach can be combined with existing model-free algorithms to yield a state-of-the-art planner in sparse-reward, long-horizon tasks.
Optimality and Stability in Federated Learning: A Game-theoretic Approach
Venue: Conference NeurIPS 2021
Year: 2021

Federated learning is a distributed learning paradigm where multiple agents, each only with access to local data, jointly learn a global model. There has recently been an explosion of research aiming not only to improve the accuracy rates of federated learning, but also provide certain guarantees around social good properties such as total error. One branch of this research has taken a game-theoretic approach, and in particular, prior work has viewed federated learning as a hedonic game, where error-minimizing players arrange themselves into federating coalitions. This past work proves the existence of stable coalition partitions, but leaves open a wide range of questions, including how far from optimal these stable solutions are. In this work, we motivate and define a notion of optimality given by the average error rates among federating agents (players). First, we provide and prove the correctness of an efficient algorithm to calculate an optimal (error minimizing) arrangement of players. Next, we analyze the relationship between the stability and optimality of an arrangement. First, we show that for some regions of parameter space, all stable arrangements are optimal (Price of Anarchy equal to 1). However, we show this is not true for all settings: there exist examples of stable arrangements with higher cost than optimal (Price of Anarchy greater than 1). Finally, we give the first constant-factor bound on the performance gap between stability and optimality, proving that the total error of the worst stable solution can be no higher than 9 times the total error of an optimal solution (Price of Anarchy bound of 9).
Regularized Softmax Deep Multi-Agent Q-Learning
Venue: Conference NeurIPS 2021
Year: 2021

Tackling overestimation in $Q$-learning is an important problem that has been extensively studied in single-agent reinforcement learning, but has received comparatively little attention in the multi-agent setting. In this work, we empirically demonstrate that QMIX, a popular $Q$-learning algorithm for cooperative multi-agent reinforcement learning (MARL), suffers from a more severe overestimation in practice than previously acknowledged, and is not mitigated by existing approaches. We rectify this with a novel regularization-based update scheme that penalizes large joint action-values that deviate from a baseline and demonstrate its effectiveness in stabilizing learning. Furthermore, we propose to employ a softmax operator, which we efficiently approximate in a novel way in the multi-agent setting, to further reduce the potential overestimation bias. Our approach, Regularized Softmax (RES) Deep Multi-Agent $Q$-Learning, is general and can be applied to any $Q$-learning based MARL algorithm. We demonstrate that, when applied to QMIX, RES avoids severe overestimation and significantly improves performance, yielding state-of-the-art results in a variety of cooperative multi-agent tasks, including the challenging StarCraft II micromanagement benchmarks.
Physics-Aware Downsampling with Deep Learning for Scalable Flood Modeling
Venue: Conference NeurIPS 2021
Year: 2021

Background: Floods are the most common natural disaster in the world, affecting the lives of hundreds of millions. Flood forecasting is therefore a vitally important endeavor, typically achieved using physical water flow simulations, which rely on accurate terrain elevation maps. However, such simulations, based on solving partial differential equations, are computationally prohibitive on a large scale. This scalability issue is commonly alleviated using a coarse grid representation of the elevation map, though this representation may distort crucial terrain details, leading to significant inaccuracies in the simulation. Contributions: We train a deep neural network to perform physics-informed downsampling of the terrain map: we optimize the coarse grid representation of the terrain maps, so that the flood prediction will match the fine grid solution. For the learning process to succeed, we configure a dataset specifically for this task. We demonstrate that with this method, it is possible to achieve a significant reduction in computational cost, while maintaining an accurate solution. A reference implementation accompanies the paper as well as documentation and code for dataset reproduction.
Systematic Generalization with Edge Transformers
Venue: Conference NeurIPS 2021
Year: 2021

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.
TransformerFusion: Monocular RGB Scene Reconstruction using Transformers
Venue: Conference NeurIPS 2021
Year: 2021

We introduce TransformerFusion, a transformer-based 3D scene reconstruction approach. From an input monocular RGB video, the video frames are processed by a transformer network that fuses the observations into a volumetric feature grid representing the scene; this feature grid is then decoded into an implicit 3D scene representation. Key to our approach is the transformer architecture that enables the network to learn to attend to the most relevant image frames for each 3D location in the scene, supervised only by the scene reconstruction task. Features are fused in a coarse-to-fine fashion, storing fine-level features only where needed, requiring lower memory storage and enabling fusion at interactive rates. The feature grid is then decoded to a higher-resolution scene reconstruction, using an MLP-based surface occupancy prediction from interpolated coarse-to-fine 3D features. Our approach results in an accurate surface reconstruction, outperforming state-of-the-art multi-view stereo depth estimation methods, fully-convolutional 3D reconstruction approaches, and approaches using LSTM- or GRU-based recurrent networks for video sequence fusion.
Play to Grade: Testing Coding Games as Classifying Markov Decision Process
Venue: Conference NeurIPS 2021
Year: 2021

Contemporary coding education often presents students with the task of developing programs that have user interaction and complex dynamic systems, such as mouse based games. While pedagogically compelling, there are no contemporary autonomous methods for providing feedback. Notably, interactive programs are impossible to grade by traditional unit tests. In this paper we formalize the challenge of providing feedback to interactive programs as a task of classifying Markov Decision Processes (MDPs). Each student's program fully specifies an MDP where the agent needs to operate and decide, under reasonable generalization, if the dynamics and reward model of the input MDP should be categorized as correct or broken. We demonstrate that by designing a cooperative objective between an agent and an autoregressive model, we can use the agent to sample differential trajectories from the input MDP that allows a classifier to determine membership: Play to Grade. Our method enables an automatic feedback system for interactive code assignments. We release a dataset of 711,274 anonymized student submissions to a single assignment with hand-coded bug labels to support future research.
Distributional Reinforcement Learning for Multi-Dimensional Reward Functions
Venue: Conference NeurIPS 2021
Year: 2021

A growing trend for value-based reinforcement learning (RL) algorithms is to capture more information than scalar value functions in the value network. One of the most well-known methods in this branch is distributional RL, which models return distribution instead of scalar value. In another line of work, hybrid reward architectures (HRA) in RL have studied to model source-specific value functions for each source of reward, which is also shown to be beneficial in performance. To fully inherit the benefits of distributional RL and hybrid reward architectures, we introduce Multi-Dimensional Distributional DQN (MD3QN), which extends distributional RL to model the joint return distribution from multiple reward sources. As a by-product of joint distribution modeling, MD3QN can capture not only the randomness in returns for each source of reward, but also the rich reward correlation between the randomness of different sources. We prove the convergence for the joint distributional Bellman operator and build our empirical algorithm by minimizing the Maximum Mean Discrepancy between joint return distribution and its Bellman target. In experiments, our method accurately models the joint return distribution in environments with richly correlated reward functions, and outperforms previous RL methods utilizing multi-dimensional reward functions in the control setting.
A Consciousness-Inspired Planning Agent for Model-Based Reinforcement Learning
Venue: Conference NeurIPS 2021
Year: 2021

We present an end-to-end, model-based deep reinforcement learning agent which dynamically attends to relevant parts of its state during planning. The agent uses a bottleneck mechanism over a set-based representation to force the number of entities to which the agent attends at each planning step to be small. In experiments, we investigate the bottleneck mechanism with several sets of customized environments featuring different challenges. We consistently observe that the design allows the planning agents to generalize their learned task-solving abilities in compatible unseen environments by attending to the relevant objects, leading to better out-of-distribution generalization performance.
Reward-Free Model-Based Reinforcement Learning with Linear Function Approximation
Venue: Conference NeurIPS 2021
Year: 2021

We study the model-based reward-free reinforcement learning with linear function approximation for episodic Markov decision processes (MDPs). In this setting, the agent works in two phases. In the exploration phase, the agent interacts with the environment and collects samples without the reward. In the planning phase, the agent is given a specific reward function and uses samples collected from the exploration phase to learn a good policy. We propose a new provably efficient algorithm, called UCRL-RFE under the Linear Mixture MDP assumption, where the transition probability kernel of the MDP can be parameterized by a linear function over certain feature mappings defined on the triplet of state, action, and next state. We show that to obtain an $ε$-optimal policy for arbitrary reward function, UCRL-RFE needs to sample at most $\tilde{\mathcal{O}}(H^5d^2ε^{-2})$ episodes during the exploration phase. Here, $H$ is the length of the episode, $d$ is the dimension of the feature mapping. We also propose a variant of UCRL-RFE using Bernstein-type bonus and show that it needs to sample at most $\tilde{\mathcal{O}}(H^4d(H + d)ε^{-2})$ to achieve an $ε$-optimal policy. By constructing a special class of linear Mixture MDPs, we also prove that for any reward-free algorithm, it needs to sample at least $\tilde Ω(H^2dε^{-2})$ episodes to obtain an $ε$-optimal policy. Our upper bound matches the lower bound in terms of the dependence on $ε$ and the dependence on $d$ if $H \ge d$.
Beltrami Flow and Neural Diffusion on Graphs
Venue: Conference NeurIPS 2021
Year: 2021

We propose a novel class of graph neural networks based on the discretised Beltrami flow, a non-Euclidean diffusion PDE. In our model, node features are supplemented with positional encodings derived from the graph topology and jointly evolved by the Beltrami flow, producing simultaneously continuous feature learning and topology evolution. The resulting model generalises many popular graph neural networks and achieves state-of-the-art results on several benchmarks.
Conditionally Parameterized, Discretization-Aware Neural Networks for Mesh-Based Modeling of Physical Systems
Venue: Conference NeurIPS 2021
Year: 2021

Simulations of complex physical systems are typically realized by discretizing partial differential equations (PDEs) on unstructured meshes. While neural networks have recently been explored for surrogate and reduced order modeling of PDE solutions, they often ignore interactions or hierarchical relations between input features, and process them as concatenated mixtures. We generalize the idea of conditional parameterization -- using trainable functions of input parameters to generate the weights of a neural network, and extend them in a flexible way to encode critical information. Inspired by discretized numerical methods, choices of the parameters include physical quantities and mesh topology features. The functional relation between the modeled features and the parameters is built into the network architecture. The method is implemented on different networks and applied to frontier scientific machine learning tasks including the discovery of unmodeled physics, super-resolution of coarse fields, and the simulation of unsteady flows with chemical reactions. The results show that the conditionally-parameterized networks provide superior performance compared to their traditional counterparts. The CP-GNet - an architecture that can be trained on very few data snapshots - is proposed as the first deep learning model capable of standalone prediction of reacting flows on irregular meshes.
Periodic Activation Functions Induce Stationarity
Venue: Conference NeurIPS 2021
Year: 2021

Neural network models are known to reinforce hidden data biases, making them unreliable and difficult to interpret. We seek to build models that `know what they do not know' by introducing inductive biases in the function space. We show that periodic activation functions in Bayesian neural networks establish a connection between the prior on the network weights and translation-invariant, stationary Gaussian process priors. Furthermore, we show that this link goes beyond sinusoidal (Fourier) activations by also covering triangular wave and periodic ReLU activation functions. In a series of experiments, we show that periodic activation functions obtain comparable performance for in-domain data and capture sensitivity to perturbed inputs in deep neural networks for out-of-domain detection.
Towards Optimal Strategies for Training Self-Driving Perception Models in Simulation
Venue: Conference NeurIPS 2021
Year: 2021

Autonomous driving relies on a huge volume of real-world data to be labeled to high precision. Alternative solutions seek to exploit driving simulators that can generate large amounts of labeled data with a plethora of content variations. However, the domain gap between the synthetic and real data remains, raising the following important question: What are the best ways to utilize a self-driving simulator for perception tasks? In this work, we build on top of recent advances in domain-adaptation theory, and from this perspective, propose ways to minimize the reality gap. We primarily focus on the use of labels in the synthetic domain alone. Our approach introduces both a principled way to learn neural-invariant representations and a theoretically inspired view on how to sample the data from the simulator. Our method is easy to implement in practice as it is agnostic of the network architecture and the choice of the simulator. We showcase our approach on the bird's-eye-view vehicle segmentation task with multi-sensor data (cameras, lidar) using an open-source simulator (CARLA), and evaluate the entire framework on a real-world dataset (nuScenes). Last but not least, we show what types of variations (e.g. weather conditions, number of assets, map design, and color diversity) matter to perception networks when trained with driving simulators, and which ones can be compensated for with our domain adaptation technique.
Reconstruction for Powerful Graph Representations
Venue: Conference NeurIPS 2021
Year: 2021

Graph neural networks (GNNs) have limited expressive power, failing to represent many graph classes correctly. While more expressive graph representation learning (GRL) alternatives can distinguish some of these classes, they are significantly harder to implement, may not scale well, and have not been shown to outperform well-tuned GNNs in real-world tasks. Thus, devising simple, scalable, and expressive GRL architectures that also achieve real-world improvements remains an open challenge. In this work, we show the extent to which graph reconstruction -- reconstructing a graph from its subgraphs -- can mitigate the theoretical and practical problems currently faced by GRL architectures. First, we leverage graph reconstruction to build two new classes of expressive graph representations. Secondly, we show how graph reconstruction boosts the expressive power of any GNN architecture while being a (provably) powerful inductive bias for invariances to vertex removals. Empirically, we show how reconstruction can boost GNN's expressive power -- while maintaining its invariance to permutations of the vertices -- by solving seven graph property tasks not solvable by the original GNN. Further, we demonstrate how it boosts state-of-the-art GNN's performance across nine real-world benchmark datasets.
Revealing and Protecting Labels in Distributed Training
Venue: Conference NeurIPS 2021
Year: 2021

Distributed learning paradigms such as federated learning often involve transmission of model updates, or gradients, over a network, thereby avoiding transmission of private data. However, it is possible for sensitive information about the training data to be revealed from such gradients. Prior works have demonstrated that labels can be revealed analytically from the last layer of certain models (e.g., ResNet), or they can be reconstructed jointly with model inputs by using Gradients Matching [Zhu et al'19] with additional knowledge about the current state of the model. In this work, we propose a method to discover the set of labels of training samples from only the gradient of the last layer and the id to label mapping. Our method is applicable to a wide variety of model architectures across multiple domains. We demonstrate the effectiveness of our method for model training in two domains - image classification, and automatic speech recognition. Furthermore, we show that existing reconstruction techniques improve their efficacy when used in conjunction with our method. Conversely, we demonstrate that gradient quantization and sparsification can significantly reduce the success of the attack.
Transfer Learning of Graph Neural Networks with Ego-graph Information Maximization
Venue: Conference NeurIPS 2021
Year: 2021

Graph neural networks (GNNs) have achieved superior performance in various applications, but training dedicated GNNs can be costly for large-scale graphs. Some recent work started to study the pre-training of GNNs. However, none of them provide theoretical insights into the design of their frameworks, or clear requirements and guarantees towards their transferability. In this work, we establish a theoretically grounded and practically useful framework for the transfer learning of GNNs. Firstly, we propose a novel view towards the essential graph information and advocate the capturing of it as the goal of transferable GNN training, which motivates the design of EGI (Ego-Graph Information maximization) to analytically achieve this goal. Secondly, when node features are structure-relevant, we conduct an analysis of EGI transferability regarding the difference between the local graph Laplacians of the source and target graphs. We conduct controlled synthetic experiments to directly justify our theoretical conclusions. Comprehensive experiments on two real-world network datasets show consistent results in the analyzed setting of direct-transfering, while those on large-scale knowledge graphs show promising results in the more practical setting of transfering with fine-tuning.
You are caught stealing my winning lottery ticket! Making a lottery ticket claim its ownership
Venue: Conference NeurIPS 2021
Year: 2021

Despite tremendous success in many application scenarios, the training and inference costs of using deep learning are also rapidly increasing over time. The lottery ticket hypothesis (LTH) emerges as a promising framework to leverage a special sparse subnetwork (i.e., winning ticket) instead of a full model for both training and inference, that can lower both costs without sacrificing the performance. The main resource bottleneck of LTH is however the extraordinary cost to find the sparse mask of the winning ticket. That makes the found winning ticket become a valuable asset to the owners, highlighting the necessity of protecting its copyright. Our setting adds a new dimension to the recently soaring interest in protecting against the intellectual property (IP) infringement of deep models and verifying their ownerships, since they take owners' massive/unique resources to develop or train. While existing methods explored encrypted weights or predictions, we investigate a unique way to leverage sparse topological information to perform lottery verification, by developing several graph-based signatures that can be embedded as credentials. By further combining trigger set-based methods, our proposal can work in both white-box and black-box verification scenarios. Through extensive experiments, we demonstrate the effectiveness of lottery verification in diverse models (ResNet-20, ResNet-18, ResNet-50) on CIFAR-10 and CIFAR-100. Specifically, our verification is shown to be robust to removal attacks such as model fine-tuning and pruning, as well as several ambiguity attacks. Our codes are available at https://github.com/VITA-Group/NO-stealing-LTH.