OpenRaiser/Intern-Atlas huggingface dataset:
ProtoVAE: A Trustworthy Self-Explainable Prototypical Variational Model
Venue: Conference NeurIPS 2022
Year: 2022

The need for interpretable models has fostered the development of self-explainable classifiers. Prior approaches are either based on multi-stage optimization schemes, impacting the predictive performance of the model, or produce explanations that are not transparent, trustworthy or do not capture the diversity of the data. To address these shortcomings, we propose ProtoVAE, a variational autoencoder-based framework that learns class-specific prototypes in an end-to-end manner and enforces trustworthiness and diversity by regularizing the representation space and introducing an orthonormality constraint. Finally, the model is designed to be transparent by directly incorporating the prototypes into the decision process. Extensive comparisons with previous self-explainable approaches demonstrate the superiority of ProtoVAE, highlighting its ability to generate trustworthy and diverse explanations, while not degrading predictive performance.
If Influence Functions are the Answer, Then What is the Question?
Venue: Conference NeurIPS 2022
Year: 2022

Influence functions efficiently estimate the effect of removing a single training data point on a model's learned parameters. While influence estimates align well with leave-one-out retraining for linear models, recent works have shown this alignment is often poor in neural networks. In this work, we investigate the specific factors that cause this discrepancy by decomposing it into five separate terms. We study the contributions of each term on a variety of architectures and datasets and how they vary with factors such as network width and training time. While practical influence function estimates may be a poor match to leave-one-out retraining for nonlinear networks, we show they are often a good approximation to a different object we term the proximal Bregman response function (PBRF). Since the PBRF can still be used to answer many of the questions motivating influence functions, such as identifying influential or mislabeled examples, our results suggest that current algorithms for influence function estimation give more informative results than previous error analyses would suggest.
FACT: Learning Governing Abstractions Behind Integer Sequences
Venue: Conference NeurIPS 2022
Year: 2022

Integer sequences are of central importance to the modeling of concepts admitting complete finitary descriptions. We introduce a novel view on the learning of such concepts and lay down a set of benchmarking tasks aimed at conceptual understanding by machine learning models. These tasks indirectly assess model ability to abstract, and challenge them to reason both interpolatively and extrapolatively from the knowledge gained by observing representative examples. To further aid research in knowledge representation and reasoning, we present FACT, the Finitary Abstraction Comprehension Toolkit. The toolkit surrounds a large dataset of integer sequences comprising both organic and synthetic entries, a library for data pre-processing and generation, a set of model performance evaluation tools, and a collection of baseline model implementations, enabling the making of the future advancements with ease.
Posterior Matching for Arbitrary Conditioning
Venue: Conference NeurIPS 2022
Year: 2022

Arbitrary conditioning is an important problem in unsupervised learning, where we seek to model the conditional densities $p(\mathbf{x}_u \mid \mathbf{x}_o)$ that underly some data, for all possible non-intersecting subsets $o, u \subset \{1, \dots , d\}$. However, the vast majority of density estimation only focuses on modeling the joint distribution $p(\mathbf{x})$, in which important conditional dependencies between features are opaque. We propose a simple and general framework, coined Posterior Matching, that enables Variational Autoencoders (VAEs) to perform arbitrary conditioning, without modification to the VAE itself. Posterior Matching applies to the numerous existing VAE-based approaches to joint density estimation, thereby circumventing the specialized models required by previous approaches to arbitrary conditioning. We find that Posterior Matching is comparable or superior to current state-of-the-art methods for a variety of tasks with an assortment of VAEs (e.g.~discrete, hierarchical, VaDE).
Benefits of Permutation-Equivariance in Auction Mechanisms
Venue: Conference NeurIPS 2022
Year: 2022

Designing an incentive-compatible auction mechanism that maximizes the auctioneer's revenue while minimizes the bidders' ex-post regret is an important yet intricate problem in economics. Remarkable progress has been achieved through learning the optimal auction mechanism by neural networks. In this paper, we consider the popular additive valuation and symmetric valuation setting; i.e., the valuation for a set of items is defined as the sum of all items' valuations in the set, and the valuation distribution is invariant when the bidders and/or the items are permutated. We prove that permutation-equivariant neural networks have significant advantages: the permutation-equivariance decreases the expected ex-post regret, improves the model generalizability, while maintains the expected revenue invariant. This implies that the permutation-equivariance helps approach the theoretically optimal dominant strategy incentive compatible condition, and reduces the required sample complexity for desired generalization. Extensive experiments fully support our theory. To our best knowledge, this is the first work towards understanding the benefits of permutation-equivariance in auction mechanisms.
MoCoDA: Model-based Counterfactual Data Augmentation
Venue: Conference NeurIPS 2022
Year: 2022

The number of states in a dynamic process is exponential in the number of objects, making reinforcement learning (RL) difficult in complex, multi-object domains. For agents to scale to the real world, they will need to react to and reason about unseen combinations of objects. We argue that the ability to recognize and use local factorization in transition dynamics is a key element in unlocking the power of multi-object reasoning. To this end, we show that (1) known local structure in the environment transitions is sufficient for an exponential reduction in the sample complexity of training a dynamics model, and (2) a locally factored dynamics model provably generalizes out-of-distribution to unseen states and actions. Knowing the local structure also allows us to predict which unseen states and actions this dynamics model will generalize to. We propose to leverage these observations in a novel Model-based Counterfactual Data Augmentation (MoCoDA) framework. MoCoDA applies a learned locally factored dynamics model to an augmented distribution of states and actions to generate counterfactual transitions for RL. MoCoDA works with a broader set of local structures than prior work and allows for direct control over the augmented training distribution. We show that MoCoDA enables RL agents to learn policies that generalize to unseen states and actions. We use MoCoDA to train an offline RL agent to solve an out-of-distribution robotics manipulation task on which standard offline RL algorithms fail.
Simple Unsupervised Object-Centric Learning for Complex and Naturalistic Videos
Venue: Conference NeurIPS 2022
Year: 2022

Unsupervised object-centric learning aims to represent the modular, compositional, and causal structure of a scene as a set of object representations and thereby promises to resolve many critical limitations of traditional single-vector representations such as poor systematic generalization. Although there have been many remarkable advances in recent years, one of the most critical problems in this direction has been that previous methods work only with simple and synthetic scenes but not with complex and naturalistic images or videos. In this paper, we propose STEVE, an unsupervised model for object-centric learning in videos. Our proposed model makes a significant advancement by demonstrating its effectiveness on various complex and naturalistic videos unprecedented in this line of research. Interestingly, this is achieved by neither adding complexity to the model architecture nor introducing a new objective or weak supervision. Rather, it is achieved by a surprisingly simple architecture that uses a transformer-based image decoder conditioned on slots and the learning objective is simply to reconstruct the observation. Our experiment results on various complex and naturalistic videos show significant improvements compared to the previous state-of-the-art.
On Uncertainty, Tempering, and Data Augmentation in Bayesian Classification
Venue: Conference NeurIPS 2022
Year: 2022

Aleatoric uncertainty captures the inherent randomness of the data, such as measurement noise. In Bayesian regression, we often use a Gaussian observation model, where we control the level of aleatoric uncertainty with a noise variance parameter. By contrast, for Bayesian classification we use a categorical distribution with no mechanism to represent our beliefs about aleatoric uncertainty. Our work shows that explicitly accounting for aleatoric uncertainty significantly improves the performance of Bayesian neural networks. We note that many standard benchmarks, such as CIFAR, have essentially no aleatoric uncertainty. Moreover, we show data augmentation in approximate inference has the effect of softening the likelihood, leading to underconfidence and profoundly misrepresenting our honest beliefs about aleatoric uncertainty. Accordingly, we find that a cold posterior, tempered by a power greater than one, often more honestly reflects our beliefs about aleatoric uncertainty than no tempering -- providing an explicit link between data augmentation and cold posteriors. We show that we can match or exceed the performance of posterior tempering by using a Dirichlet observation model, where we explicitly control the level of aleatoric uncertainty, without any need for tempering.
Why So Pessimistic? Estimating Uncertainties for Offline RL through Ensembles, and Why Their Independence Matters
Venue: Conference NeurIPS 2022
Year: 2022

Motivated by the success of ensembles for uncertainty estimation in supervised learning, we take a renewed look at how ensembles of $Q$-functions can be leveraged as the primary source of pessimism for offline reinforcement learning (RL). We begin by identifying a critical flaw in a popular algorithmic choice used by many ensemble-based RL algorithms, namely the use of shared pessimistic target values when computing each ensemble member's Bellman error. Through theoretical analyses and construction of examples in toy MDPs, we demonstrate that shared pessimistic targets can paradoxically lead to value estimates that are effectively optimistic. Given this result, we propose MSG, a practical offline RL algorithm that trains an ensemble of $Q$-functions with independently computed targets based on completely separate networks, and optimizes a policy with respect to the lower confidence bound of predicted action values. Our experiments on the popular D4RL and RL Unplugged offline RL benchmarks demonstrate that on challenging domains such as antmazes, MSG with deep ensembles surpasses highly well-tuned state-of-the-art methods by a wide margin. Additionally, through ablations on benchmarks domains, we verify the critical significance of using independently trained $Q$-functions, and study the role of ensemble size. Finally, as using separate networks per ensemble member can become computationally costly with larger neural network architectures, we investigate whether efficient ensemble approximations developed for supervised learning can be similarly effective, and demonstrate that they do not match the performance and robustness of MSG with separate networks, highlighting the need for new efforts into efficient uncertainty estimation directed at RL.
Private Synthetic Data for Multitask Learning and Marginal Queries
Venue: Conference NeurIPS 2022
Year: 2022

We provide a differentially private algorithm for producing synthetic data simultaneously useful for multiple tasks: marginal queries and multitask machine learning (ML). A key innovation in our algorithm is the ability to directly handle numerical features, in contrast to a number of related prior approaches which require numerical features to be first converted into {high cardinality} categorical features via {a binning strategy}. Higher binning granularity is required for better accuracy, but this negatively impacts scalability. Eliminating the need for binning allows us to produce synthetic data preserving large numbers of statistical queries such as marginals on numerical features, and class conditional linear threshold queries. Preserving the latter means that the fraction of points of each class label above a particular half-space is roughly the same in both the real and synthetic data. This is the property that is needed to train a linear classifier in a multitask setting. Our algorithm also allows us to produce high quality synthetic data for mixed marginal queries, that combine both categorical and numerical features. Our method consistently runs 2-5x faster than the best comparable techniques, and provides significant accuracy improvements in both marginal queries and linear prediction tasks for mixed-type datasets.
Sample-Efficient Reinforcement Learning of Partially Observable Markov Games
Venue: Conference NeurIPS 2022
Year: 2022

This paper considers the challenging tasks of Multi-Agent Reinforcement Learning (MARL) under partial observability, where each agent only sees her own individual observations and actions that reveal incomplete information about the underlying state of system. This paper studies these tasks under the general model of multiplayer general-sum Partially Observable Markov Games (POMGs), which is significantly larger than the standard model of Imperfect Information Extensive-Form Games (IIEFGs). We identify a rich subclass of POMGs -- weakly revealing POMGs -- in which sample-efficient learning is tractable. In the self-play setting, we prove that a simple algorithm combining optimism and Maximum Likelihood Estimation (MLE) is sufficient to find approximate Nash equilibria, correlated equilibria, as well as coarse correlated equilibria of weakly revealing POMGs, in a polynomial number of samples when the number of agents is small. In the setting of playing against adversarial opponents, we show that a variant of our optimistic MLE algorithm is capable of achieving sublinear regret when being compared against the optimal maximin policies. To our best knowledge, this work provides the first line of sample-efficient results for learning POMGs.
MineDojo: Building Open-Ended Embodied Agents with Internet-Scale Knowledge
Venue: Conference NeurIPS 2022
Year: 2022

Autonomous agents have made great strides in specialist domains like Atari games and Go. However, they typically learn tabula rasa in isolated environments with limited and manually conceived objectives, thus failing to generalize across a wide spectrum of tasks and capabilities. Inspired by how humans continually learn and adapt in the open world, we advocate a trinity of ingredients for building generalist agents: 1) an environment that supports a multitude of tasks and goals, 2) a large-scale database of multimodal knowledge, and 3) a flexible and scalable agent architecture. We introduce MineDojo, a new framework built on the popular Minecraft game that features a simulation suite with thousands of diverse open-ended tasks and an internet-scale knowledge base with Minecraft videos, tutorials, wiki pages, and forum discussions. Using MineDojo's data, we propose a novel agent learning algorithm that leverages large pre-trained video-language models as a learned reward function. Our agent is able to solve a variety of open-ended tasks specified in free-form language without any manually designed dense shaping reward. We open-source the simulation suite, knowledge bases, algorithm implementation, and pretrained models (https://minedojo.org) to promote research towards the goal of generally capable embodied agents.
Truncated Matrix Power Iteration for Differentiable DAG Learning
Venue: Conference NeurIPS 2022
Year: 2022

Recovering underlying Directed Acyclic Graph (DAG) structures from observational data is highly challenging due to the combinatorial nature of the DAG-constrained optimization problem. Recently, DAG learning has been cast as a continuous optimization problem by characterizing the DAG constraint as a smooth equality one, generally based on polynomials over adjacency matrices. Existing methods place very small coefficients on high-order polynomial terms for stabilization, since they argue that large coefficients on the higher-order terms are harmful due to numeric exploding. On the contrary, we discover that large coefficients on higher-order terms are beneficial for DAG learning, when the spectral radiuses of the adjacency matrices are small, and that larger coefficients for higher-order terms can approximate the DAG constraints much better than the small counterparts. Based on this, we propose a novel DAG learning method with efficient truncated matrix power iteration to approximate geometric series based DAG constraints. Empirically, our DAG learning method outperforms the previous state-of-the-arts in various settings, often by a factor of $3$ or more in terms of structural Hamming distance.
Modeling the Machine Learning Multiverse
Venue: Conference NeurIPS 2022
Year: 2022

Amid mounting concern about the reliability and credibility of machine learning research, we present a principled framework for making robust and generalizable claims: the multiverse analysis. Our framework builds upon the multiverse analysis (Steegen et al., 2016) introduced in response to psychology's own reproducibility crisis. To efficiently explore high-dimensional and often continuous ML search spaces, we model the multiverse with a Gaussian Process surrogate and apply Bayesian experimental design. Our framework is designed to facilitate drawing robust scientific conclusions about model performance, and thus our approach focuses on exploration rather than conventional optimization. In the first of two case studies, we investigate disputed claims about the relative merit of adaptive optimizers. Second, we synthesize conflicting research on the effect of learning rate on the large batch training generalization gap. For the machine learning community, the multiverse analysis is a simple and effective technique for identifying robust claims, for increasing transparency, and a step toward improved reproducibility.
Unifying Voxel-based Representation with Transformer for 3D Object Detection
Venue: Conference NeurIPS 2022
Year: 2022

In this work, we present a unified framework for multi-modality 3D object detection, named UVTR. The proposed method aims to unify multi-modality representations in the voxel space for accurate and robust single- or cross-modality 3D detection. To this end, the modality-specific space is first designed to represent different inputs in the voxel feature space. Different from previous work, our approach preserves the voxel space without height compression to alleviate semantic ambiguity and enable spatial connections. To make full use of the inputs from different sensors, the cross-modality interaction is then proposed, including knowledge transfer and modality fusion. In this way, geometry-aware expressions in point clouds and context-rich features in images are well utilized for better performance and robustness. The transformer decoder is applied to efficiently sample features from the unified space with learnable positions, which facilitates object-level interactions. In general, UVTR presents an early attempt to represent different modalities in a unified framework. It surpasses previous work in single- or multi-modality entries. The proposed method achieves leading performance in the nuScenes test set for both object detection and the following object tracking task. Code is made publicly available at https://github.com/dvlab-research/UVTR.
On Scrambling Phenomena for Randomly Initialized Recurrent Networks
Venue: Conference NeurIPS 2022
Year: 2022

Recurrent Neural Networks (RNNs) frequently exhibit complicated dynamics, and their sensitivity to the initialization process often renders them notoriously hard to train. Recent works have shed light on such phenomena analyzing when exploding or vanishing gradients may occur, either of which is detrimental for training dynamics. In this paper, we point to a formal connection between RNNs and chaotic dynamical systems and prove a qualitatively stronger phenomenon about RNNs than what exploding gradients seem to suggest. Our main result proves that under standard initialization (e.g., He, Xavier etc.), RNNs will exhibit \textit{Li-Yorke chaos} with \textit{constant} probability \textit{independent} of the network's width. This explains the experimentally observed phenomenon of \textit{scrambling}, under which trajectories of nearby points may appear to be arbitrarily close during some timesteps, yet will be far away in future timesteps. In stark contrast to their feedforward counterparts, we show that chaotic behavior in RNNs is preserved under small perturbations and that their expressive power remains exponential in the number of feedback iterations. Our technical arguments rely on viewing RNNs as random walks under non-linear activations, and studying the existence of certain types of higher-order fixed points called \textit{periodic points} that lead to phase transitions from order to chaos.
Learning to Branch with Tree MDPs
Venue: Conference NeurIPS 2022
Year: 2022

State-of-the-art Mixed Integer Linear Program (MILP) solvers combine systematic tree search with a plethora of hard-coded heuristics, such as the branching rule. The idea of learning branching rules from data has received increasing attention recently, and promising results have been obtained by learning fast approximations of the strong branching expert. In this work, we instead propose to learn branching rules from scratch via Reinforcement Learning (RL). We revisit the work of Etheve et al. (2020) and propose tree Markov Decision Processes, or tree MDPs, a generalization of temporal MDPs that provides a more suitable framework for learning to branch. We derive a tree policy gradient theorem, which exhibits a better credit assignment compared to its temporal counterpart. We demonstrate through computational experiments that tree MDPs improve the learning convergence, and offer a promising framework for tackling the learning-to-branch problem in MILPs.