Related papers: RLSynC: Offline-Online Reinforcement Learning for …

This paper investigates policy resilience to training-environment poisoning attacks on reinforcement learning (RL) policies, with the goal of recovering the deployment performance of a poisoned RL policy. Due to the fact that the policy…

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

Offline reinforcement learning (RL) defines the task of learning from a fixed batch of data. Due to errors in value estimation from out-of-distribution actions, most offline RL algorithms take the approach of constraining or regularizing…

Offline reinforcement learning often requires a quality dataset that we can train a policy on. However, in many situations, it is not possible to get such a dataset, nor is it easy to train a policy to perform well in the actual environment…

Online matching problems arise in many complex systems, from cloud services and online marketplaces to organ exchange networks, where timely, principled decisions are critical for maintaining high system performance. Traditional heuristics…

We introduce the notion of online reactive planning with sensing actions for systems with temporal logic constraints in partially observable and dynamic environments. With incomplete information on the dynamic environment, reactive…

While inorganic retrosynthesis planning is essential in the field of chemical science, the application of machine learning in this area has been notably less explored compared to organic retrosynthesis planning. In this paper, we propose…

Chemical reaction networks, or CRNs, are known to stably compute semilinear Boolean-valued predicates and functions, provided that all reactions are irreversible. However, this property does not hold for wet-lab implementations, as all…

Generative Flow Networks (GFlowNets), a new family of probabilistic samplers, have demonstrated remarkable capabilities to generate diverse sets of high-reward candidates, in contrast to standard return maximization approaches (e.g.,…

Reinforcement learning (RL) has shown promise for decision-making tasks in real-world applications. One practical framework involves training parameterized policy models from an offline dataset and subsequently deploying them in an online…

Motivation: Retrosynthesis planning poses a formidable challenge in the organic chemical industry. Single-step retrosynthesis prediction, a crucial step in the planning process, has witnessed a surge in interest in recent years due to…

Reinforcement Learning (RL) is a method for learning decision-making tasks that could enable robots to learn and adapt to their situation on-line. For an RL algorithm to be practical for robotic control tasks, it must learn in very few…

Offline reinforcement learning (RL) aims to learn a policy from a static dataset without further interactions with the environment. Collecting sufficiently large datasets for offline RL is exhausting since this data collection requires…

This paper studies satisfaction of temporal properties on unknown stochastic processes that have continuous state spaces. We show how reinforcement learning (RL) can be applied for computing policies that are finite-memory and deterministic…

Reinforcement Learning (RL) can effectively learn complex policies. However, learning these policies often demands extensive trial-and-error interactions with the environment. In many real-world scenarios, this approach is not practical due…

Accurately predicting chemical reaction outcomes and potential byproducts is a fundamental task of modern chemistry, enabling the efficient design of synthetic pathways and driving progress in chemical science. Reaction mechanism, which…

We explore an online reinforcement learning (RL) paradigm to dynamically optimize parallel particle tracing performance in distributed-memory systems. Our method combines three novel components: (1) a work donation algorithm, (2) a…

Offline reinforcement learning (RL) provides a promising approach to avoid costly online interaction with the real environment. However, the performance of offline RL highly depends on the quality of the datasets, which may cause…

Reinforcement learning (RL) has become a standard technique for post-training diffusion-based image synthesis models, as it enables learning from reward signals to explicitly improve desirable aspects such as image quality and prompt…

Developing critical components, such as mission controllers or embedded systems, is a challenging task. Reactive synthesis is a technique to automatically produce correct controllers. Given a high-level specification written in LTL,…