In real-world decision making tasks, it is critical for data-driven reinforcement learning methods to be both stable and sample efficient. On-policy methods typically generate reliable policy improvement throughout training, while off-policy methods make more efficient use of data through sample reuse. In this work, we combine the theoretically supported stability benefits of on-policy algorithms with the sample efficiency of off-policy algorithms. We develop policy improvement guarantees that are suitable for the off-policy setting, and connect these bounds to the clipping mechanism used in Proximal Policy Optimization. This motivates an off-policy version of the popular algorithm that we call Generalized Proximal Policy Optimization with Sample Reuse. We demonstrate both theoretically and empirically that our algorithm delivers improved performance by effectively balancing the competing goals of stability and sample efficiency.

Network load balancers are central components in data centers, that distributes workloads across multiple servers and thereby contribute to offering scalable services. However, when load balancers operate in dynamic environments with limited monitoring of application server loads, they rely on heuristic algorithms that require manual configurations for fairness and performance. To alleviate that, this paper proposes a distributed asynchronous reinforcement learning mechanism to - with no active load balancer state monitoring and limited network observations - improve the fairness of the workload distribution achieved by a load balancer. The performance of proposed mechanism is evaluated and compared with stateof-the-art load balancing algorithms in a simulator, under configurations with progressively increasing complexities. Preliminary results show promise in RLbased load balancing algorithms, and identify additional challenges and future research directions, including reward function design and model scalability.

A key challenge in the field of reinforcement learning is to develop agents that behave cautiously in novel situations. It is generally impossible to anticipate all situations that an autonomous system may face or what behavior would best avoid bad outcomes. An agent that could learn to be cautious would overcome this challenge by discovering for itself when and how to behave cautiously. In contrast, current approaches typically embed task-specific safety information or explicit cautious behaviors into the system, which is error-prone and imposes extra burdens on practitioners. In this paper, we present both a sequence of tasks where cautious behavior becomes increasingly non-obvious, as well as an algorithm to demonstrate that it is possible for a system to \emph{learn} to be cautious. The essential features of our algorithm are that it characterizes reward function uncertainty without task-specific safety information and uses this uncertainty to construct a robust policy. Specifically, we construct robust policies with a $k$-of-$N$ counterfactual regret minimization (CFR) subroutine given a learned reward function uncertainty represented by a neural network ensemble belief. These policies exhibit caution in each of our tasks without any task-specific safety tuning.

Transfer in Reinforcement Learning aims to improve learning performance on target tasks using knowledge from experienced source tasks. Successor features (SF) are a prominent transfer mechanism in domains where the reward function changes between tasks. They reevaluate the expected return of previously learned policies in a new target task and to transfer their knowledge. A limiting factor of the SF framework is its assumption that rewards linearly decompose into successor features and a reward weight vector. We propose a novel SF mechanism, $\xi$-learning, based on learning the cumulative discounted probability of successor features. Crucially, $\xi$-learning allows to reevaluate the expected return of policies for general reward functions. We introduce two $\xi$-learning variations, prove its convergence, and provide a guarantee on its transfer performance. Experimental evaluations based on $\xi$-learning with function approximation demonstrate the prominent advantage of $\xi$-learning over available mechanisms not only for general reward functions, but also in the case of linearly decomposable reward functions.

Editor's note: Maggie is a speaker for ODSC APAC 2021. Check out her talk, "How to Get Started With Deep Reinforcement Learning on a Variety of Use Cases?" there! I, like many others, first heard of reinforcement learning (RL) in the context of games. I watched a documentary about AlphaGo winning against Lee Sedol, the world Go champion, which, I must admit, made me shed a tear or two. However, when the opportunity emerged to try to apply RL in my work, a whole bunch of new questions flew into my mind.

Mobile parcel lockers (MPLs) have been recently introduced by urban logistics operators as a means to reduce traffic congestion and operational cost. Their capability to relocate their position during the day has the potential to improve customer accessibility and convenience (if deployed and planned accordingly), allowing customers to collect parcels at their preferred time among one of the multiple locations. This paper proposes an integer programming model to solve the Location Routing Problem for MPLs to determine the optimal configuration and locker routes. In solving this model, a Hybrid Q-Learning algorithm-based Method (HQM) integrated with global and local search mechanisms is developed, the performance of which is examined for different problem sizes and benchmarked with genetic algorithms. Furthermore, we introduced two route adjustment strategies to resolve stochastic events that may cause delays. The results show that HQM achieves 443.41% improvement on average in solution improvement, compared with the 94.91% improvement of heuristic counterparts, suggesting HQM enables a more efficient search for better solutions. Finally, we identify critical factors that contribute to service delays and investigate their effects.

We observe that many system policies that make threshold decisions involving a resource (e.g., time, memory, cores) naturally reveal additional, or implicit feedback. For example, if a system waits X min for an event to occur, then it automatically learns what would have happened if it waited

The field of machine learning for drug discovery is witnessing an explosion of novel methods. These methods are often benchmarked on simple physicochemical properties such as solubility or general druglikeness, which can be readily computed. However, these properties are poor representatives of objective functions in drug design, mainly because they do not depend on the candidate's interaction with the target. By contrast, molecular docking is a widely successful method in drug discovery to estimate binding affinities. However, docking simulations require a significant amount of domain knowledge to set up correctly which hampers adoption. To this end, we present DOCKSTRING, a bundle for meaningful and robust comparison of ML models consisting of three components: (1) an open-source Python package for straightforward computation of docking scores; (2) an extensive dataset of docking scores and poses of more than 260K ligands for 58 medically-relevant targets; and (3) a set of pharmaceutically-relevant benchmark tasks including regression, virtual screening, and de novo design. The Python package implements a robust ligand and target preparation protocol that allows non-experts to obtain meaningful docking scores. Our dataset is the first to include docking poses, as well as the first of its size that is a full matrix, thus facilitating experiments in multiobjective optimization and transfer learning. Overall, our results indicate that docking scores are a more appropriate evaluation objective than simple physicochemical properties, yielding more realistic benchmark tasks and molecular candidates.

Discovering a solution in a combinatorial space is prevalent in many real-world problems but it is also challenging due to diverse complex constraints and the vast number of possible combinations. To address such a problem, we introduce a novel formulation, combinatorial construction, which requires a building agent to assemble unit primitives (i.e., LEGO bricks) sequentially -- every connection between two bricks must follow a fixed rule, while no bricks mutually overlap. To construct a target object, we provide incomplete knowledge about the desired target (i.e., 2D images) instead of exact and explicit volumetric information to the agent. This problem requires a comprehensive understanding of partial information and long-term planning to append a brick sequentially, which leads us to employ reinforcement learning. The approach has to consider a variable-sized action space where a large number of invalid actions, which would cause overlap between bricks, exist. To resolve these issues, our model, dubbed Brick-by-Brick, adopts an action validity prediction network that efficiently filters invalid actions for an actor-critic network. We demonstrate that the proposed method successfully learns to construct an unseen object conditioned on a single image or multiple views of a target object.

In applications of offline reinforcement learning to observational data, such as in healthcare or education, a general concern is that observed actions might be affected by unobserved factors, inducing confounding and biasing estimates derived under the assumption of a perfect Markov decision process (MDP) model. Here we tackle this by considering off-policy evaluation in a partially observed MDP (POMDP). Specifically, we consider estimating the value of a given target policy in a POMDP given trajectories with only partial state observations generated by a different and unknown policy that may depend on the unobserved state. We tackle two questions: what conditions allow us to identify the target policy value from the observed data and, given identification, how to best estimate it. To answer these, we extend the framework of proximal causal inference to our POMDP setting, providing a variety of settings where identification is made possible by the existence of so-called bridge functions. We then show how to construct semiparametrically efficient estimators in these settings. We term the resulting framework proximal reinforcement learning (PRL). We demonstrate the benefits of PRL in an extensive simulation study.