Related papers: Reinforcement Learning for Molecular Design Guided…

Reinforcement Learning (RL) is essential for evolving Large Language Models (LLMs) into autonomous agents capable of long-horizon planning, yet a practical recipe for scaling RL in complex, multi-turn environments remains elusive. This…

Deep reinforcement learning has been recognized as an efficient technique to design optimal strategies for different complex systems without prior knowledge of the control landscape. To achieve a fast and precise control for quantum…

Can machine learning help us make better decisions about a changing planet? In this paper, we illustrate and discuss the potential of a promising corner of machine learning known as _reinforcement learning_ (RL) to help tackle the most…

The efficient exploration of chemical space remains a central challenge, as many generative models still produce unstable or non-synthesizable compounds. To address these limitations, we present EvoMol-RL, a significant extension of the…

General reasoning represents a long-standing and formidable challenge in artificial intelligence. Recent breakthroughs, exemplified by large language models (LLMs) and chain-of-thought prompting, have achieved considerable success on…

Rising costs in recent years of developing new drugs and treatments have led to extensive research in optimization techniques in biomolecular design. Currently, the most widely used approach in biomolecular design is directed evolution,…

Reward design remains a critical bottleneck in visual reinforcement learning (RL) for robotic manipulation. In simulated environments, rewards are conventionally designed based on the distance to a target position. However, such precise…

In environments with sparse or delayed rewards, reinforcement learning (RL) incurs high sample complexity due to the large number of interactions needed for learning. This limitation has motivated the use of large language models (LLMs) for…

Deep Reinforcement Learning (RL) is remarkably effective in addressing sequential resource allocation problems in domains such as healthcare, public policy, and resource management. However, deep RL policies often lack transparency and…

The generation of drug-like molecules is crucial for drug design. Existing reinforcement learning (RL) methods often overlook structural information. However, feature engineering-based methods usually merely focus on binding affinity…

Many traditional algorithms for solving combinatorial optimization problems involve using hand-crafted heuristics that sequentially construct a solution. Such heuristics are designed by domain experts and may often be suboptimal due to the…

Deep reinforcement learning (DRL) augments the reinforcement learning framework, which learns a sequence of actions that maximizes the expected reward, with the representative power of deep neural networks. Recent works have demonstrated…

Reinforcement learning (RL) has demonstrated strong potential in training large language models (LLMs) capable of complex reasoning for real-world problem solving. More recently, RL has been leveraged to create sophisticated LLM-based…

Quantum computing (QC) in the current NISQ era is still limited in size and precision. Hybrid applications mitigating those shortcomings are prevalent to gain early insight and advantages. Hybrid quantum machine learning (QML) comprises…

In reinforcement learning (RL), agents continually interact with the environment and use the feedback to refine their behavior. To guide policy optimization, reward models are introduced as proxies of the desired objectives, such that when…

We explore how to enable machines to model 3D shapes like human modelers using deep reinforcement learning (RL). In 3D modeling software like Maya, a modeler usually creates a mesh model in two steps: (1) approximating the shape using a set…

Recent work has shown that reinforcement learning (RL) is a promising approach to control dynamical systems described by partial differential equations (PDE). This paper shows how to use RL to tackle more general PDE control problems that…

The integration of deep learning to reinforcement learning (RL) has enabled RL to perform efficiently in high-dimensional environments. Deep RL methods have been applied to solve many complex real-world problems in recent years. However,…

As a subfield of machine learning, reinforcement learning (RL) aims at empowering one's capabilities in behavioural decision making by using interaction experience with the world and an evaluative feedback. Unlike traditional supervised…

Developments in reinforcement learning (RL) have allowed algorithms to achieve impressive performance in highly complex, but largely static problems. In contrast, biological learning seems to value efficiency of adaptation to a…