arXiv subjects

Andreas Krause

Publications and source records attributed to Andreas Krause.

At least 127 records · Page 7Linked to original sources

arXiv2024

Data-Efficient Task Generalization via Probabilistic Model-based Meta Reinforcement Learning

We introduce PACOH-RL, a novel model-based Meta-Reinforcement Learning (Meta-RL) algorithm designed to efficiently adapt control policies to changing dynamics. PACOH-RL meta-learns priors for the dynamics model, allowing swift adaptation to new dynamics with minimal interaction data. Existing Meta-RL methods require abundant meta-learning data, limiting their applicability in settings such as robotics, where data is costly to obtain. To address this, PACOH-RL incorporates regularization and epistemic uncertainty quantification in both the meta-learning and task adaptation stages. When facing new dynamics, we use these uncertainty estimates to effectively guide exploration and data collection. Overall, this enables positive transfer, even when access to data from prior tasks or dynamic settings is severely limited. Our experiment results demonstrate that PACOH-RL outperforms model-based RL and model-based Meta-RL baselines in adapting to new dynamic conditions. Finally, on a real robotic car, we showcase the potential for efficient RL policy adaptation in diverse, data-scarce conditions.

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arXiv2024

Implicit Manifold Gaussian Process Regression

Gaussian process regression is widely used because of its ability to provide well-calibrated uncertainty estimates and handle small or sparse datasets. However, it struggles with high-dimensional data. One possible way to scale this technique to higher dimensions is to leverage the implicit low-dimensional manifold upon which the data actually lies, as postulated by the manifold hypothesis. Prior work ordinarily requires the manifold structure to be explicitly provided though, i.e. given by a mesh or be known to be one of the well-known manifolds like the sphere. In contrast, in this paper we propose a Gaussian process regression technique capable of inferring implicit structure directly from data (labeled and unlabeled) in a fully differentiable way. For the resulting model, we discuss its convergence to the Matérn Gaussian process on the assumed manifold. Our technique scales up to hundreds of thousands of data points, and may improve the predictive performance and calibration of the standard Gaussian process regression in high-dimensional settings.

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arXiv2023

Safe Model-Based Multi-Agent Mean-Field Reinforcement Learning

Many applications, e.g., in shared mobility, require coordinating a large number of agents. Mean-field reinforcement learning addresses the resulting scalability challenge by optimizing the policy of a representative agent interacting with the infinite population of identical agents instead of considering individual pairwise interactions. In this paper, we address an important generalization where there exist global constraints on the distribution of agents (e.g., requiring capacity constraints or minimum coverage requirements to be met). We propose Safe-M$^3$-UCRL, the first model-based mean-field reinforcement learning algorithm that attains safe policies even in the case of unknown transitions. As a key ingredient, it uses epistemic uncertainty in the transition model within a log-barrier approach to ensure pessimistic constraints satisfaction with high probability. Beyond the synthetic swarm motion benchmark, we showcase Safe-M$^3$-UCRL on the vehicle repositioning problem faced by many shared mobility operators and evaluate its performance through simulations built on vehicle trajectory data from a service provider in Shenzhen. Our algorithm effectively meets the demand in critical areas while ensuring service accessibility in regions with low demand.

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arXiv2023

Scalable PAC-Bayesian Meta-Learning via the PAC-Optimal Hyper-Posterior: From Theory to Practice

Meta-Learning aims to speed up the learning process on new tasks by acquiring useful inductive biases from datasets of related learning tasks. While, in practice, the number of related tasks available is often small, most of the existing approaches assume an abundance of tasks; making them unrealistic and prone to overfitting. A central question in the meta-learning literature is how to regularize to ensure generalization to unseen tasks. In this work, we provide a theoretical analysis using the PAC-Bayesian theory and present a generalization bound for meta-learning, which was first derived by Rothfuss et al. (2021a). Crucially, the bound allows us to derive the closed form of the optimal hyper-posterior, referred to as PACOH, which leads to the best performance guarantees. We provide a theoretical analysis and empirical case study under which conditions and to what extent these guarantees for meta-learning improve upon PAC-Bayesian per-task learning bounds. The closed-form PACOH inspires a practical meta-learning approach that avoids the reliance on bi-level optimization, giving rise to a stochastic optimization problem that is amenable to standard variational methods that scale well. Our experiments show that, when instantiating the PACOH with Gaussian processes and Bayesian Neural Networks models, the resulting methods are more scalable, and yield state-of-the-art performance, both in terms of predictive accuracy and the quality of uncertainty estimates.

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arXiv2023

Sinkhorn Flow: A Continuous-Time Framework for Understanding and Generalizing the Sinkhorn Algorithm

Many problems in machine learning can be formulated as solving entropy-regularized optimal transport on the space of probability measures. The canonical approach involves the Sinkhorn iterates, renowned for their rich mathematical properties. Recently, the Sinkhorn algorithm has been recast within the mirror descent framework, thus benefiting from classical optimization theory insights. Here, we build upon this result by introducing a continuous-time analogue of the Sinkhorn algorithm. This perspective allows us to derive novel variants of Sinkhorn schemes that are robust to noise and bias. Moreover, our continuous-time dynamics not only generalize but also offer a unified perspective on several recently discovered dynamics in machine learning and mathematics, such as the "Wasserstein mirror flow" of (Deb et al. 2023) or the "mean-field Schrödinger equation" of (Claisse et al. 2023).

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arXiv2023

Instance-Dependent Generalization Bounds via Optimal Transport

Existing generalization bounds fail to explain crucial factors that drive the generalization of modern neural networks. Since such bounds often hold uniformly over all parameters, they suffer from over-parametrization and fail to account for the strong inductive bias of initialization and stochastic gradient descent. As an alternative, we propose a novel optimal transport interpretation of the generalization problem. This allows us to derive instance-dependent generalization bounds that depend on the local Lipschitz regularity of the learned prediction function in the data space. Therefore, our bounds are agnostic to the parametrization of the model and work well when the number of training samples is much smaller than the number of parameters. With small modifications, our approach yields accelerated rates for data on low-dimensional manifolds and guarantees under distribution shifts. We empirically analyze our generalization bounds for neural networks, showing that the bound values are meaningful and capture the effect of popular regularization methods during training.

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arXiv2023

Linear Partial Monitoring for Sequential Decision-Making: Algorithms, Regret Bounds and Applications

Partial monitoring is an expressive framework for sequential decision-making with an abundance of applications, including graph-structured and dueling bandits, dynamic pricing and transductive feedback models. We survey and extend recent results on the linear formulation of partial monitoring that naturally generalizes the standard linear bandit setting. The main result is that a single algorithm, information-directed sampling (IDS), is (nearly) worst-case rate optimal in all finite-action games. We present a simple and unified analysis of stochastic partial monitoring, and further extend the model to the contextual and kernelized setting.

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arXiv2023

Anytime Model Selection in Linear Bandits

Model selection in the context of bandit optimization is a challenging problem, as it requires balancing exploration and exploitation not only for action selection, but also for model selection. One natural approach is to rely on online learning algorithms that treat different models as experts. Existing methods, however, scale poorly ($\text{poly}M$) with the number of models $M$ in terms of their regret. Our key insight is that, for model selection in linear bandits, we can emulate full-information feedback to the online learner with a favorable bias-variance trade-off. This allows us to develop ALEXP, which has an exponentially improved ($\log M$) dependence on $M$ for its regret. ALEXP has anytime guarantees on its regret, and neither requires knowledge of the horizon $n$, nor relies on an initial purely exploratory stage. Our approach utilizes a novel time-uniform analysis of the Lasso, establishing a new connection between online learning and high-dimensional statistics.

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arXiv2023

Likelihood Ratio Confidence Sets for Sequential Decision Making

Certifiable, adaptive uncertainty estimates for unknown quantities are an essential ingredient of sequential decision-making algorithms. Standard approaches rely on problem-dependent concentration results and are limited to a specific combination of parameterization, noise family, and estimator. In this paper, we revisit the likelihood-based inference principle and propose to use likelihood ratios to construct any-time valid confidence sequences without requiring specialized treatment in each application scenario. Our method is especially suitable for problems with well-specified likelihoods, and the resulting sets always maintain the prescribed coverage in a model-agnostic manner. The size of the sets depends on a choice of estimator sequence in the likelihood ratio. We discuss how to provably choose the best sequence of estimators and shed light on connections to online convex optimization with algorithms such as Follow-the-Regularized-Leader. To counteract the initially large bias of the estimators, we propose a reweighting scheme that also opens up deployment in non-parametric settings such as RKHS function classes. We provide a non-asymptotic analysis of the likelihood ratio confidence sets size for generalized linear models, using insights from convex duality and online learning. We showcase the practical strength of our method on generalized linear bandit problems, survival analysis, and bandits with various additive noise distributions.

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arXiv2023

Riemannian stochastic optimization methods avoid strict saddle points

Many modern machine learning applications - from online principal component analysis to covariance matrix identification and dictionary learning - can be formulated as minimization problems on Riemannian manifolds, and are typically solved with a Riemannian stochastic gradient method (or some variant thereof). However, in many cases of interest, the resulting minimization problem is not geodesically convex, so the convergence of the chosen solver to a desirable solution - i.e., a local minimizer - is by no means guaranteed. In this paper, we study precisely this question, that is, whether stochastic Riemannian optimization algorithms are guaranteed to avoid saddle points with probability 1. For generality, we study a family of retraction-based methods which, in addition to having a potentially much lower per-iteration cost relative to Riemannian gradient descent, include other widely used algorithms, such as natural policy gradient methods and mirror descent in ordinary convex spaces. In this general setting, we show that, under mild assumptions for the ambient manifold and the oracle providing gradient information, the policies under study avoid strict saddle points / submanifolds with probability 1, from any initial condition. This result provides an important sanity check for the use of gradient methods on manifolds as it shows that, almost always, the limit state of a stochastic Riemannian algorithm can only be a local minimizer.

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arXiv2023

Optimistic Active Exploration of Dynamical Systems

Reinforcement learning algorithms commonly seek to optimize policies for solving one particular task. How should we explore an unknown dynamical system such that the estimated model globally approximates the dynamics and allows us to solve multiple downstream tasks in a zero-shot manner? In this paper, we address this challenge, by developing an algorithm -- OPAX -- for active exploration. OPAX uses well-calibrated probabilistic models to quantify the epistemic uncertainty about the unknown dynamics. It optimistically -- w.r.t. to plausible dynamics -- maximizes the information gain between the unknown dynamics and state observations. We show how the resulting optimization problem can be reduced to an optimal control problem that can be solved at each episode using standard approaches. We analyze our algorithm for general models, and, in the case of Gaussian process dynamics, we give a first-of-its-kind sample complexity bound and show that the epistemic uncertainty converges to zero. In our experiments, we compare OPAX with other heuristic active exploration approaches on several environments. Our experiments show that OPAX is not only theoretically sound but also performs well for zero-shot planning on novel downstream tasks.

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arXiv2023

Efficient Exploration in Continuous-time Model-based Reinforcement Learning

Reinforcement learning algorithms typically consider discrete-time dynamics, even though the underlying systems are often continuous in time. In this paper, we introduce a model-based reinforcement learning algorithm that represents continuous-time dynamics using nonlinear ordinary differential equations (ODEs). We capture epistemic uncertainty using well-calibrated probabilistic models, and use the optimistic principle for exploration. Our regret bounds surface the importance of the measurement selection strategy(MSS), since in continuous time we not only must decide how to explore, but also when to observe the underlying system. Our analysis demonstrates that the regret is sublinear when modeling ODEs with Gaussian Processes (GP) for common choices of MSS, such as equidistant sampling. Additionally, we propose an adaptive, data-dependent, practical MSS that, when combined with GP dynamics, also achieves sublinear regret with significantly fewer samples. We showcase the benefits of continuous-time modeling over its discrete-time counterpart, as well as our proposed adaptive MSS over standard baselines, on several applications.

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arXiv2023

Contextual Stochastic Bilevel Optimization

We introduce contextual stochastic bilevel optimization (CSBO) -- a stochastic bilevel optimization framework with the lower-level problem minimizing an expectation conditioned on some contextual information and the upper-level decision variable. This framework extends classical stochastic bilevel optimization when the lower-level decision maker responds optimally not only to the decision of the upper-level decision maker but also to some side information and when there are multiple or even infinite many followers. It captures important applications such as meta-learning, personalized federated learning, end-to-end learning, and Wasserstein distributionally robust optimization with side information (WDRO-SI). Due to the presence of contextual information, existing single-loop methods for classical stochastic bilevel optimization are unable to converge. To overcome this challenge, we introduce an efficient double-loop gradient method based on the Multilevel Monte-Carlo (MLMC) technique and establish its sample and computational complexities. When specialized to stochastic nonconvex optimization, our method matches existing lower bounds. For meta-learning, the complexity of our method does not depend on the number of tasks. Numerical experiments further validate our theoretical results.

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arXiv2023

Tuning Legged Locomotion Controllers via Safe Bayesian Optimization

This paper presents a data-driven strategy to streamline the deployment of model-based controllers in legged robotic hardware platforms. Our approach leverages a model-free safe learning algorithm to automate the tuning of control gains, addressing the mismatch between the simplified model used in the control formulation and the real system. This method substantially mitigates the risk of hazardous interactions with the robot by sample-efficiently optimizing parameters within a probably safe region. Additionally, we extend the applicability of our approach to incorporate the different gait parameters as contexts, leading to a safe, sample-efficient exploration algorithm capable of tuning a motion controller for diverse gait patterns. We validate our method through simulation and hardware experiments, where we demonstrate that the algorithm obtains superior performance on tuning a model-based motion controller for multiple gaits safely.

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arXiv2023

DockGame: Cooperative Games for Multimeric Rigid Protein Docking

Protein interactions and assembly formation are fundamental to most biological processes. Predicting the assembly structure from constituent proteins -- referred to as the protein docking task -- is thus a crucial step in protein design applications. Most traditional and deep learning methods for docking have focused mainly on binary docking, following either a search-based, regression-based, or generative modeling paradigm. In this paper, we focus on the less-studied multimeric (i.e., two or more proteins) docking problem. We introduce DockGame, a novel game-theoretic framework for docking -- we view protein docking as a cooperative game between proteins, where the final assembly structure(s) constitute stable equilibria w.r.t. the underlying game potential. Since we do not have access to the true potential, we consider two approaches - i) learning a surrogate game potential guided by physics-based energy functions and computing equilibria by simultaneous gradient updates, and ii) sampling from the Gibbs distribution of the true potential by learning a diffusion generative model over the action spaces (rotations and translations) of all proteins. Empirically, on the Docking Benchmark 5.5 (DB5.5) dataset, DockGame has much faster runtimes than traditional docking methods, can generate multiple plausible assembly structures, and achieves comparable performance to existing binary docking baselines, despite solving the harder task of coordinating multiple protein chains.

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arXiv2023

Distributionally Robust Model-based Reinforcement Learning with Large State Spaces

Three major challenges in reinforcement learning are the complex dynamical systems with large state spaces, the costly data acquisition processes, and the deviation of real-world dynamics from the training environment deployment. To overcome these issues, we study distributionally robust Markov decision processes with continuous state spaces under the widely used Kullback-Leibler, chi-square, and total variation uncertainty sets. We propose a model-based approach that utilizes Gaussian Processes and the maximum variance reduction algorithm to efficiently learn multi-output nominal transition dynamics, leveraging access to a generative model (i.e., simulator). We further demonstrate the statistical sample complexity of the proposed method for different uncertainty sets. These complexity bounds are independent of the number of states and extend beyond linear dynamics, ensuring the effectiveness of our approach in identifying near-optimal distributionally-robust policies. The proposed method can be further combined with other model-free distributionally robust reinforcement learning methods to obtain a near-optimal robust policy. Experimental results demonstrate the robustness of our algorithm to distributional shifts and its superior performance in terms of the number of samples needed.

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arXiv2023

Active Exploration for Inverse Reinforcement Learning

Inverse Reinforcement Learning (IRL) is a powerful paradigm for inferring a reward function from expert demonstrations. Many IRL algorithms require a known transition model and sometimes even a known expert policy, or they at least require access to a generative model. However, these assumptions are too strong for many real-world applications, where the environment can be accessed only through sequential interaction. We propose a novel IRL algorithm: Active exploration for Inverse Reinforcement Learning (AceIRL), which actively explores an unknown environment and expert policy to quickly learn the expert's reward function and identify a good policy. AceIRL uses previous observations to construct confidence intervals that capture plausible reward functions and find exploration policies that focus on the most informative regions of the environment. AceIRL is the first approach to active IRL with sample-complexity bounds that does not require a generative model of the environment. AceIRL matches the sample complexity of active IRL with a generative model in the worst case. Additionally, we establish a problem-dependent bound that relates the sample complexity of AceIRL to the suboptimality gap of a given IRL problem. We empirically evaluate AceIRL in simulations and find that it significantly outperforms more naive exploration strategies.

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arXiv2023

Multitask Learning with No Regret: from Improved Confidence Bounds to Active Learning

Multitask learning is a powerful framework that enables one to simultaneously learn multiple related tasks by sharing information between them. Quantifying uncertainty in the estimated tasks is of pivotal importance for many downstream applications, such as online or active learning. In this work, we provide novel multitask confidence intervals in the challenging agnostic setting, i.e., when neither the similarity between tasks nor the tasks' features are available to the learner. The obtained intervals do not require i.i.d. data and can be directly applied to bound the regret in online learning. Through a refined analysis of the multitask information gain, we obtain new regret guarantees that, depending on a task similarity parameter, can significantly improve over treating tasks independently. We further propose a novel online learning algorithm that achieves such improved regret without knowing this parameter in advance, i.e., automatically adapting to task similarity. As a second key application of our results, we introduce a novel multitask active learning setup where several tasks must be simultaneously optimized, but only one of them can be queried for feedback by the learner at each round. For this problem, we design a no-regret algorithm that uses our confidence intervals to decide which task should be queried. Finally, we empirically validate our bounds and algorithms on synthetic and real-world (drug discovery) data.

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