Contextual Similarity Distillation: Ensemble Uncertainties with a Single Model

Uncertainty quantification is a critical aspect of reinforcement learning and deep learning, with numerous applications ranging from efficient exploration and stable offline reinforcement learning to outlier detection in medical diagnostics. The scale of modern neural networks, however, complicates the use of many theoretically well-motivated approaches such as full Bayesian inference. Approximate methods like deep ensembles can provide reliable uncertainty estimates but still remain computationally expensive. In this work, we propose contextual similarity distillation, a novel approach that explicitly estimates the variance of an ensemble of deep neural networks with a single model, without ever learning or evaluating such an ensemble in the first place. Our method builds on the predictable learning dynamics of wide neural networks, governed by the neural tangent kernel, to derive an efficient approximation of the predictive variance of an infinite ensemble. Specifically, we reinterpret the computation of ensemble variance as a supervised regression problem with kernel similarities as regression targets. The resulting model can estimate predictive variance at inference time with a single forward pass, and can make use of unlabeled target-domain data or data augmentations to refine its uncertainty estimates. We empirically validate our method across a variety of out-of-distribution detection benchmarks and sparse-reward reinforcement learning environments. We find that our single-model method performs competitively and sometimes superior to ensemble-based baselines and serves as a reliable signal for efficient exploration. These results, we believe, position contextual similarity distillation as a principled and scalable alternative for uncertainty quantification in reinforcement learning and general deep learning.

Training on more Reachable Tasks for Generalisation in Reinforcement Learning

In multi-task reinforcement learning, agents train on a fixed set of tasks and have to generalise to new ones. Recent work has shown that increased exploration improves this generalisation, but it remains unclear why exactly that is. In this paper, we introduce the concept of reachability in multi-task reinforcement learning and show that an initial exploration phase increases the number of reachable tasks the agent is trained on. This, and not the increased exploration, is responsible for the improved generalisation, even to unreachable tasks. Inspired by this, we propose a novel method Explore-Go that implements such an exploration phase at the beginning of each episode. Explore-Go only modifies the way experience is collected and can be used with most existing on-policy or off-policy reinforcement learning algorithms. We demonstrate the effectiveness of our method when combined with some popular algorithms and show an increase in generalisation performance across several environments.

Explore-Go: Leveraging Exploration for Generalisation in Deep Reinforcement Learning

One of the remaining challenges in reinforcement learning is to develop agents that can generalise to novel scenarios they might encounter once deployed. This challenge is often framed in a multi-task setting where agents train on a fixed set of tasks and have to generalise to new tasks. Recent work has shown that in this setting increased exploration during training can be leveraged to increase the generalisation performance of the agent. This makes sense when the states encountered during testing can actually be explored during training. In this paper, we provide intuition why exploration can also benefit generalisation to states that cannot be explicitly encountered during training. Additionally, we propose a novel method Explore-Go that exploits this intuition by increasing the number of states on which the agent trains. Explore-Go effectively increases the starting state distribution of the agent and as a result can be used in conjunction with most existing on-policy or off-policy reinforcement learning algorithms. We show empirically that our method can increase generalisation performance in an illustrative environment and on the Procgen benchmark.

A Penalty-Based Guardrail Algorithm for Non-Decreasing Optimization with Inequality Constraints

Traditional mathematical programming solvers require long computational times to solve constrained minimization problems of complex and large-scale physical systems. Therefore, these problems are often transformed into unconstrained ones, and solved with computationally efficient optimization approaches based on first-order information, such as the gradient descent method. However, for unconstrained problems, balancing the minimization of the objective function with the reduction of constraint violations is challenging. We consider the class of time-dependent minimization problems with increasing (possibly) nonlinear and non-convex objective function and non-decreasing (possibly) nonlinear and non-convex inequality constraints. To efficiently solve them, we propose a penalty-based guardrail algorithm (PGA). This algorithm adapts a standard penalty-based method by dynamically updating the right-hand side of the constraints with a guardrail variable which adds a margin to prevent violations. We evaluate PGA on two novel application domains: a simplified model of a district heating system and an optimization model derived from learned deep neural networks. Our method significantly outperforms mathematical programming solvers and the standard penalty-based method, and achieves better performance and faster convergence than a state-of-the-art algorithm (IPDD) within a specified time limit.

To the Max: Reinventing Reward in Reinforcement Learning

In reinforcement learning (RL), different rewards can define the same optimal policy but result in drastically different learning performance. For some, the agent gets stuck with a suboptimal behavior, and for others, it solves the task efficiently. Choosing a good reward function is hence an extremely important yet challenging problem. In this paper, we explore an alternative approach to using rewards for learning. We introduce max-reward RL, where an agent optimizes the maximum rather than the cumulative reward. Unlike earlier works, our approach works for deterministic and stochastic environments and can be easily combined with state-of-the-art RL algorithms. In the experiments, we study the performance of max-reward RL algorithms in two goal-reaching environments from Gymnasium-Robotics and demonstrate its benefits over standard RL. The code is publicly available.

Multi-Robot Local Motion Planning Using Dynamic Optimization Fabrics

In this paper, we address the problem of real-time motion planning for multiple robotic manipulators that operate in close proximity. We build upon the concept of dynamic fabrics and extend them to multi-robot systems, referred to as Multi-Robot Dynamic Fabrics (MRDF). This geometric method enables a very high planning frequency for high-dimensional systems at the expense of being reactive and prone to deadlocks. To detect and resolve deadlocks, we propose Rollout Fabrics where MRDF are forward simulated in a decentralized manner. We validate the methods in simulated close-proximity pick-and-place scenarios with multiple manipulators, showing high success rates and real-time performance.

You Shall not Pass: the Zero-Gradient Problem in Predict and Optimize for Convex Optimization

Predict and optimize is an increasingly popular decision-making paradigm that employs machine learning to predict unknown parameters of optimization problems. Instead of minimizing the prediction error of the parameters, it trains predictive models using task performance as a loss function. In the convex optimization domain, predict and optimize has seen significant progress due to recently developed methods for differentiating optimization problem solutions over the problem parameters. This paper identifies a yet unnoticed drawback of this approach -- the zero-gradient problem -- and introduces a method to solve it. The suggested method is based on the mathematical properties of differential optimization and is verified using two real-world benchmarks.

Diverse Projection Ensembles for Distributional Reinforcement Learning

In contrast to classical reinforcement learning, distributional reinforcement learning algorithms aim to learn the distribution of returns rather than their expected value. Since the nature of the return distribution is generally unknown a priori or arbitrarily complex, a common approach finds approximations within a set of representable, parametric distributions. Typically, this involves a projection of the unconstrained distribution onto the set of simplified distributions. We argue that this projection step entails a strong inductive bias when coupled with neural networks and gradient descent, thereby profoundly impacting the generalization behavior of learned models. In order to facilitate reliable uncertainty estimation through diversity, this work studies the combination of several different projections and representations in a distributional ensemble. We establish theoretical properties of such projection ensembles and derive an algorithm that uses ensemble disagreement, measured by the average $1$-Wasserstein distance, as a bonus for deep exploration. We evaluate our algorithm on the behavior suite benchmark and find that diverse projection ensembles lead to significant performance improvements over existing methods on a wide variety of tasks with the most pronounced gains in directed exploration problems.

The Role of Diverse Replay for Generalisation in Reinforcement Learning

In reinforcement learning (RL), key components of many algorithms are the exploration strategy and replay buffer. These strategies regulate what environment data is collected and trained on and have been extensively studied in the RL literature. In this paper, we investigate the impact of these components in the context of generalisation in multi-task RL. We investigate the hypothesis that collecting and training on more diverse data from the training environment will improve zero-shot generalisation to new environments/tasks. We motivate mathematically and show empirically that generalisation to states that are "reachable" during training is improved by increasing the diversity of transitions in the replay buffer. Furthermore, we show empirically that this same strategy also shows improvement for generalisation to similar but "unreachable" states and could be due to improved generalisation of latent representations.

Active Classification of Moving Targets with Learned Control Policies

In this paper, we consider the problem where a drone has to collect semantic information to classify multiple moving targets. In particular, we address the challenge of computing control inputs that move the drone to informative viewpoints, position and orientation, when the information is extracted using a "black-box" classifier, e.g., a deep learning neural network. These algorithms typically lack of analytical relationships between the viewpoints and their associated outputs, preventing their use in information-gathering schemes. To fill this gap, we propose a novel attention-based architecture, trained via Reinforcement Learning (RL), that outputs the next viewpoint for the drone favoring the acquisition of evidence from as many unclassified targets as possible while reasoning about their movement, orientation, and occlusions. Then, we use a low-level MPC controller to move the drone to the desired viewpoint taking into account its actual dynamics. We show that our approach not only outperforms a variety of baselines but also generalizes to scenarios unseen during training. Additionally, we show that the network scales to large numbers of targets and generalizes well to different movement dynamics of the targets.