Related papers: Reinforcement Feature Transformation for Polymer P…
Recent years have witnessed the widespread adoption of reinforcement learning (RL), from solving real-time games to fine-tuning large language models using human preference data significantly improving alignment with user expectations.…
Understanding emerging behaviors of reinforcement learning (RL) agents may be difficult since such agents are often trained in complex environments using highly complex decision making procedures. This has given rise to a variety of…
The success of the Materials Genome Initiative has led to opportunities for data-driven approaches for materials discovery. The recent development of Polymer Genome (PG), which is a machine learning (ML) based data-driven informatics…
We introduce PolyRecommender, a multimodal discovery framework that integrates chemical language representations from PolyBERT with molecular graph-based representations from a graph encoder. The system first retrieves candidate polymers…
Polygon meshes are an efficient representation of 3D geometry, and are of central importance in computer graphics, robotics and games development. Existing learning-based approaches have avoided the challenges of working with 3D meshes,…
Learning a policy capable of moving an agent between any two states in the environment is important for many robotics problems involving navigation and manipulation. Due to the sparsity of rewards in such tasks, applying reinforcement…
Reinforcement Learning (RL) has demonstrated significant potential in certain real-world industrial applications, yet its broader deployment remains limited by inherent challenges such as sample inefficiency and unstable learning dynamics.…
This paper proposes a reinforcement learning framework for performance-driven structural design that combines bottom-up design generation with learned strategies to efficiently search large combinatorial design spaces. Motivated by the…
Interactive adaptive systems powered by Reinforcement Learning (RL) have many potential applications, such as intelligent tutoring systems. In such systems there is typically an external human system designer that is creating, monitoring…
The mathematical formula is the human language to describe nature and is the essence of scientific research. Finding mathematical formulas from observational data is a major demand of scientific research and a major challenge of artificial…
Efficient exploration has presented a long-standing challenge in reinforcement learning, especially when rewards are sparse. A developmental system can overcome this difficulty by learning from both demonstrations and self-exploration.…
Polymers are a versatile class of materials with widespread industrial applications. Advanced computational tools could revolutionize their design, but their complex, multi-scale nature poses significant modeling challenges. Conventional…
Portfolio management (PM) is a fundamental financial trading task, which explores the optimal periodical reallocation of capitals into different stocks to pursue long-term profits. Reinforcement learning (RL) has recently shown its…
Generative models coupled with reinforcement learning (RL), such as REINVENT and PepINVENT, have emerged as a powerful framework for de novo molecular design. During the ideation process these generative frameworks utilize various…
Generative models hold the promise of significantly expediting the materials design process when compared to traditional human-guided or rule-based methodologies. However, effectively generating high-quality periodic structures of materials…
A good feature representation is a determinant factor to achieve high performance for many machine learning algorithms in terms of classification. This is especially true for techniques that do not build complex internal representations of…
Transfer in reinforcement learning refers to the notion that generalization should occur not only within a task but also across tasks. We propose a transfer framework for the scenario where the reward function changes between tasks but the…
We present a method for generating training data for reinforcement learning with verifiable rewards to improve small open-weights language models on mathematical tasks. Existing data generation approaches rely on open-loop pipelines and…
In many real-world applications, reinforcement learning (RL) agents might have to solve multiple tasks, each one typically modeled via a reward function. If reward functions are expressed linearly, and the agent has previously learned a set…
Procedural Content Generation (PCG) is widely used to create scalable and diverse environments in games. However, existing methods, such as the Wave Function Collapse (WFC) algorithm, are often limited to static scenarios and lack the…