arXiv subjects

Aditya Grover

Publications and source records attributed to Aditya Grover.

At least 91 records · Page 5Linked to original sources

arXiv2022

BARACK: Partially Supervised Group Robustness With Guarantees

While neural networks have shown remarkable success on classification tasks in terms of average-case performance, they often fail to perform well on certain groups of the data. Such group information may be expensive to obtain; thus, recent works in robustness and fairness have proposed ways to improve worst-group performance even when group labels are unavailable for the training data. However, these methods generally underperform methods that utilize group information at training time. In this work, we assume access to a small number of group labels alongside a larger dataset without group labels. We propose BARACK, a simple two-step framework to utilize this partial group information to improve worst-group performance: train a model to predict the missing group labels for the training data, and then use these predicted group labels in a robust optimization objective. Theoretically, we provide generalization bounds for our approach in terms of the worst-group performance, which scale with respect to both the total number of training points and the number of training points with group labels. Empirically, our method outperforms the baselines that do not use group information, even when only 1-33% of points have group labels. We provide ablation studies to support the robustness and extensibility of our framework.

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arXiv2022

Frame Averaging for Invariant and Equivariant Network Design

Many machine learning tasks involve learning functions that are known to be invariant or equivariant to certain symmetries of the input data. However, it is often challenging to design neural network architectures that respect these symmetries while being expressive and computationally efficient. For example, Euclidean motion invariant/equivariant graph or point cloud neural networks. We introduce Frame Averaging (FA), a general purpose and systematic framework for adapting known (backbone) architectures to become invariant or equivariant to new symmetry types. Our framework builds on the well known group averaging operator that guarantees invariance or equivariance but is intractable. In contrast, we observe that for many important classes of symmetries, this operator can be replaced with an averaging operator over a small subset of the group elements, called a frame. We show that averaging over a frame guarantees exact invariance or equivariance while often being much simpler to compute than averaging over the entire group. Furthermore, we prove that FA-based models have maximal expressive power in a broad setting and in general preserve the expressive power of their backbone architectures. Using frame averaging, we propose a new class of universal Graph Neural Networks (GNNs), universal Euclidean motion invariant point cloud networks, and Euclidean motion invariant Message Passing (MP) GNNs. We demonstrate the practical effectiveness of FA on several applications including point cloud normal estimation, beyond $2$-WL graph separation, and $n$-body dynamics prediction, achieving state-of-the-art results in all of these benchmarks.

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arXiv2022

JUMBO: Scalable Multi-task Bayesian Optimization using Offline Data

The goal of Multi-task Bayesian Optimization (MBO) is to minimize the number of queries required to accurately optimize a target black-box function, given access to offline evaluations of other auxiliary functions. When offline datasets are large, the scalability of prior approaches comes at the expense of expressivity and inference quality. We propose JUMBO, an MBO algorithm that sidesteps these limitations by querying additional data based on a combination of acquisition signals derived from training two Gaussian Processes (GP): a cold-GP operating directly in the input domain and a warm-GP that operates in the feature space of a deep neural network pretrained using the offline data. Such a decomposition can dynamically control the reliability of information derived from the online and offline data and the use of pretrained neural networks permits scalability to large offline datasets. Theoretically, we derive regret bounds for JUMBO and show that it achieves no-regret under conditions analogous to GP-UCB (Srinivas et. al. 2010). Empirically, we demonstrate significant performance improvements over existing approaches on two real-world optimization problems: hyper-parameter optimization and automated circuit design.

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arXiv2022

Learning from an Exploring Demonstrator: Optimal Reward Estimation for Bandits

We introduce the "inverse bandit" problem of estimating the rewards of a multi-armed bandit instance from observing the learning process of a low-regret demonstrator. Existing approaches to the related problem of inverse reinforcement learning assume the execution of an optimal policy, and thereby suffer from an identifiability issue. In contrast, we propose to leverage the demonstrator's behavior en route to optimality, and in particular, the exploration phase, for reward estimation. We begin by establishing a general information-theoretic lower bound under this paradigm that applies to any demonstrator algorithm, which characterizes a fundamental tradeoff between reward estimation and the amount of exploration of the demonstrator. Then, we develop simple and efficient reward estimators for upper-confidence-based demonstrator algorithms that attain the optimal tradeoff, showing in particular that consistent reward estimation -- free of identifiability issues -- is possible under our paradigm. Extensive simulations on both synthetic and semi-synthetic data corroborate our theoretical results.

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arXiv2022

It Takes Four to Tango: Multiagent Selfplay for Automatic Curriculum Generation

We are interested in training general-purpose reinforcement learning agents that can solve a wide variety of goals. Training such agents efficiently requires automatic generation of a goal curriculum. This is challenging as it requires (a) exploring goals of increasing difficulty, while ensuring that the agent (b) is exposed to a diverse set of goals in a sample efficient manner and (c) does not catastrophically forget previously solved goals. We propose Curriculum Self Play (CuSP), an automated goal generation framework that seeks to satisfy these desiderata by virtue of a multi-player game with four agents. We extend the asymmetric curricula learning in PAIRED (Dennis et al., 2020) to a symmetrized game that carefully balances cooperation and competition between two off-policy student learners and two regret-maximizing teachers. CuSP additionally introduces entropic goal coverage and accounts for the non-stationary nature of the students, allowing us to automatically induce a curriculum that balances progressive exploration with anti-catastrophic exploitation. We demonstrate that our method succeeds at generating an effective curricula of goals for a range of control tasks, outperforming other methods at zero-shot test-time generalization to novel out-of-distribution goals.

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arXiv2021

BCD Nets: Scalable Variational Approaches for Bayesian Causal Discovery

A structural equation model (SEM) is an effective framework to reason over causal relationships represented via a directed acyclic graph (DAG). Recent advances have enabled effective maximum-likelihood point estimation of DAGs from observational data. However, a point estimate may not accurately capture the uncertainty in inferring the underlying graph in practical scenarios, wherein the true DAG is non-identifiable and/or the observed dataset is limited. We propose Bayesian Causal Discovery Nets (BCD Nets), a variational inference framework for estimating a distribution over DAGs characterizing a linear-Gaussian SEM. Developing a full Bayesian posterior over DAGs is challenging due to the the discrete and combinatorial nature of graphs. We analyse key design choices for scalable VI over DAGs, such as 1) the parametrization of DAGs via an expressive variational family, 2) a continuous relaxation that enables low-variance stochastic optimization, and 3) suitable priors over the latent variables. We provide a series of experiments on real and synthetic data showing that BCD Nets outperform maximum-likelihood methods on standard causal discovery metrics such as structural Hamming distance in low data regimes.

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arXiv2021

PiRank: Scalable Learning To Rank via Differentiable Sorting

A key challenge with machine learning approaches for ranking is the gap between the performance metrics of interest and the surrogate loss functions that can be optimized with gradient-based methods. This gap arises because ranking metrics typically involve a sorting operation which is not differentiable w.r.t. the model parameters. Prior works have proposed surrogates that are loosely related to ranking metrics or simple smoothed versions thereof, and often fail to scale to real-world applications. We propose PiRank, a new class of differentiable surrogates for ranking, which employ a continuous, temperature-controlled relaxation to the sorting operator based on NeuralSort [1]. We show that PiRank exactly recovers the desired metrics in the limit of zero temperature and further propose a divide and-conquer extension that scales favorably to large list sizes, both in theory and practice. Empirically, we demonstrate the role of larger list sizes during training and show that PiRank significantly improves over comparable approaches on publicly available internet-scale learning-to-rank benchmarks.

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arXiv2021

Moser Flow: Divergence-based Generative Modeling on Manifolds

We are interested in learning generative models for complex geometries described via manifolds, such as spheres, tori, and other implicit surfaces. Current extensions of existing (Euclidean) generative models are restricted to specific geometries and typically suffer from high computational costs. We introduce Moser Flow (MF), a new class of generative models within the family of continuous normalizing flows (CNF). MF also produces a CNF via a solution to the change-of-variable formula, however differently from other CNF methods, its model (learned) density is parameterized as the source (prior) density minus the divergence of a neural network (NN). The divergence is a local, linear differential operator, easy to approximate and calculate on manifolds. Therefore, unlike other CNFs, MF does not require invoking or backpropagating through an ODE solver during training. Furthermore, representing the model density explicitly as the divergence of a NN rather than as a solution of an ODE facilitates learning high fidelity densities. Theoretically, we prove that MF constitutes a universal density approximator under suitable assumptions. Empirically, we demonstrate for the first time the use of flow models for sampling from general curved surfaces and achieve significant improvements in density estimation, sample quality, and training complexity over existing CNFs on challenging synthetic geometries and real-world benchmarks from the earth and climate sciences.

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arXiv2021

Pretrained Transformers as Universal Computation Engines

We investigate the capability of a transformer pretrained on natural language to generalize to other modalities with minimal finetuning -- in particular, without finetuning of the self-attention and feedforward layers of the residual blocks. We consider such a model, which we call a Frozen Pretrained Transformer (FPT), and study finetuning it on a variety of sequence classification tasks spanning numerical computation, vision, and protein fold prediction. In contrast to prior works which investigate finetuning on the same modality as the pretraining dataset, we show that pretraining on natural language can improve performance and compute efficiency on non-language downstream tasks. Additionally, we perform an analysis of the architecture, comparing the performance of a random initialized transformer to a random LSTM. Combining the two insights, we find language-pretrained transformers can obtain strong performance on a variety of non-language tasks.

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arXiv2021

Decision Transformer: Reinforcement Learning via Sequence Modeling

We introduce a framework that abstracts Reinforcement Learning (RL) as a sequence modeling problem. This allows us to draw upon the simplicity and scalability of the Transformer architecture, and associated advances in language modeling such as GPT-x and BERT. In particular, we present Decision Transformer, an architecture that casts the problem of RL as conditional sequence modeling. Unlike prior approaches to RL that fit value functions or compute policy gradients, Decision Transformer simply outputs the optimal actions by leveraging a causally masked Transformer. By conditioning an autoregressive model on the desired return (reward), past states, and actions, our Decision Transformer model can generate future actions that achieve the desired return. Despite its simplicity, Decision Transformer matches or exceeds the performance of state-of-the-art model-free offline RL baselines on Atari, OpenAI Gym, and Key-to-Door tasks.

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arXiv2021

Rotation Invariant Graph Neural Networks using Spin Convolutions

Progress towards the energy breakthroughs needed to combat climate change can be significantly accelerated through the efficient simulation of atomic systems. Simulation techniques based on first principles, such as Density Functional Theory (DFT), are limited in their practical use due to their high computational expense. Machine learning approaches have the potential to approximate DFT in a computationally efficient manner, which could dramatically increase the impact of computational simulations on real-world problems. Approximating DFT poses several challenges. These include accurately modeling the subtle changes in the relative positions and angles between atoms, and enforcing constraints such as rotation invariance or energy conservation. We introduce a novel approach to modeling angular information between sets of neighboring atoms in a graph neural network. Rotation invariance is achieved for the network's edge messages through the use of a per-edge local coordinate frame and a novel spin convolution over the remaining degree of freedom. Two model variants are proposed for the applications of structure relaxation and molecular dynamics. State-of-the-art results are demonstrated on the large-scale Open Catalyst 2020 dataset. Comparisons are also performed on the MD17 and QM9 datasets.

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arXiv2021

Reset-Free Lifelong Learning with Skill-Space Planning

The objective of lifelong reinforcement learning (RL) is to optimize agents which can continuously adapt and interact in changing environments. However, current RL approaches fail drastically when environments are non-stationary and interactions are non-episodic. We propose Lifelong Skill Planning (LiSP), an algorithmic framework for non-episodic lifelong RL based on planning in an abstract space of higher-order skills. We learn the skills in an unsupervised manner using intrinsic rewards and plan over the learned skills using a learned dynamics model. Moreover, our framework permits skill discovery even from offline data, thereby reducing the need for excessive real-world interactions. We demonstrate empirically that LiSP successfully enables long-horizon planning and learns agents that can avoid catastrophic failures even in challenging non-stationary and non-episodic environments derived from gridworld and MuJoCo benchmarks.

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arXiv2021

Anytime Sampling for Autoregressive Models via Ordered Autoencoding

Autoregressive models are widely used for tasks such as image and audio generation. The sampling process of these models, however, does not allow interruptions and cannot adapt to real-time computational resources. This challenge impedes the deployment of powerful autoregressive models, which involve a slow sampling process that is sequential in nature and typically scales linearly with respect to the data dimension. To address this difficulty, we propose a new family of autoregressive models that enables anytime sampling. Inspired by Principal Component Analysis, we learn a structured representation space where dimensions are ordered based on their importance with respect to reconstruction. Using an autoregressive model in this latent space, we trade off sample quality for computational efficiency by truncating the generation process before decoding into the original data space. Experimentally, we demonstrate in several image and audio generation tasks that sample quality degrades gracefully as we reduce the computational budget for sampling. The approach suffers almost no loss in sample quality (measured by FID) using only 60\% to 80\% of all latent dimensions for image data. Code is available at https://github.com/Newbeeer/Anytime-Auto-Regressive-Model .

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arXiv2020

Fair Generative Modeling via Weak Supervision

Real-world datasets are often biased with respect to key demographic factors such as race and gender. Due to the latent nature of the underlying factors, detecting and mitigating bias is especially challenging for unsupervised machine learning. We present a weakly supervised algorithm for overcoming dataset bias for deep generative models. Our approach requires access to an additional small, unlabeled reference dataset as the supervision signal, thus sidestepping the need for explicit labels on the underlying bias factors. Using this supplementary dataset, we detect the bias in existing datasets via a density ratio technique and learn generative models which efficiently achieve the twin goals of: 1) data efficiency by using training examples from both biased and reference datasets for learning; and 2) data generation close in distribution to the reference dataset at test time. Empirically, we demonstrate the efficacy of our approach which reduces bias w.r.t. latent factors by an average of up to 34.6% over baselines for comparable image generation using generative adversarial networks.

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arXiv2020

Learning Controllable Fair Representations

Learning data representations that are transferable and are fair with respect to certain protected attributes is crucial to reducing unfair decisions while preserving the utility of the data. We propose an information-theoretically motivated objective for learning maximally expressive representations subject to fairness constraints. We demonstrate that a range of existing approaches optimize approximations to the Lagrangian dual of our objective. In contrast to these existing approaches, our objective allows the user to control the fairness of the representations by specifying limits on unfairness. Exploiting duality, we introduce a method that optimizes the model parameters as well as the expressiveness-fairness trade-off. Empirical evidence suggests that our proposed method can balance the trade-off between multiple notions of fairness and achieves higher expressiveness at a lower computational cost.

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arXiv2020

Permutation Invariant Graph Generation via Score-Based Generative Modeling

Learning generative models for graph-structured data is challenging because graphs are discrete, combinatorial, and the underlying data distribution is invariant to the ordering of nodes. However, most of the existing generative models for graphs are not invariant to the chosen ordering, which might lead to an undesirable bias in the learned distribution. To address this difficulty, we propose a permutation invariant approach to modeling graphs, using the recent framework of score-based generative modeling. In particular, we design a permutation equivariant, multi-channel graph neural network to model the gradient of the data distribution at the input graph (a.k.a., the score function). This permutation equivariant model of gradients implicitly defines a permutation invariant distribution for graphs. We train this graph neural network with score matching and sample from it with annealed Langevin dynamics. In our experiments, we first demonstrate the capacity of this new architecture in learning discrete graph algorithms. For graph generation, we find that our learning approach achieves better or comparable results to existing models on benchmark datasets.

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arXiv2019

AlignFlow: Cycle Consistent Learning from Multiple Domains via Normalizing Flows

Given datasets from multiple domains, a key challenge is to efficiently exploit these data sources for modeling a target domain. Variants of this problem have been studied in many contexts, such as cross-domain translation and domain adaptation. We propose AlignFlow, a generative modeling framework that models each domain via a normalizing flow. The use of normalizing flows allows for a) flexibility in specifying learning objectives via adversarial training, maximum likelihood estimation, or a hybrid of the two methods; and b) learning and exact inference of a shared representation in the latent space of the generative model. We derive a uniform set of conditions under which AlignFlow is marginally-consistent for the different learning objectives. Furthermore, we show that AlignFlow guarantees exact cycle consistency in mapping datapoints from a source domain to target and back to the source domain. Empirically, AlignFlow outperforms relevant baselines on image-to-image translation and unsupervised domain adaptation and can be used to simultaneously interpolate across the various domains using the learned representation.

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arXiv2019

Bias Correction of Learned Generative Models using Likelihood-Free Importance Weighting

A learned generative model often produces biased statistics relative to the underlying data distribution. A standard technique to correct this bias is importance sampling, where samples from the model are weighted by the likelihood ratio under model and true distributions. When the likelihood ratio is unknown, it can be estimated by training a probabilistic classifier to distinguish samples from the two distributions. We employ this likelihood-free importance weighting method to correct for the bias in generative models. We find that this technique consistently improves standard goodness-of-fit metrics for evaluating the sample quality of state-of-the-art deep generative models, suggesting reduced bias. Finally, we demonstrate its utility on representative applications in a) data augmentation for classification using generative adversarial networks, and b) model-based policy evaluation using off-policy data.

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