相关论文: Leveraging Partial SMILES Validation Scheme for En…

We introduce CPPO, a Contrastive Perception Policy Optimization method for finetuning vision--language models (VLMs). Reliable perception is a core requirement for VLM-based agents that must reason and act in open-ended environments: faulty…

Computational methods are useful in accelerating the pace of drug discovery. Drug discovery carries several steps such as target identification and validation, lead discovery, and lead optimisation etc., In the phase of lead optimisation,…

While originally developed for continuous control problems, Proximal Policy Optimization (PPO) has emerged as the work-horse of a variety of reinforcement learning (RL) applications, including the fine-tuning of generative models.…

Traditional preference tuning methods for LLMs/Visual Generative Models often rely solely on reward model labeling, which can be opaque, offer limited insights into the rationale behind preferences, and are prone to issues such as reward…

This paper targets the efficient construction of a safety shield for decision making in scenarios that incorporate uncertainty. Markov decision processes (MDPs) are prominent models to capture such planning problems. Reinforcement learning…

With the exponential increase of the protein sequence databases over time, multiple-sequence alignment (MSA) methods, like PSI-BLAST, perform exhaustive and time-consuming database search to retrieve evolutionary information. The resulting…

Multi-objective decision-making problems have emerged in numerous real-world scenarios, such as video games, navigation and robotics. Considering the clear advantages of Reinforcement Learning (RL) in optimizing decision-making processes,…

The objective of drug discovery is to identify chemical compounds that possess specific pharmaceutical properties toward a binding target. Existing large language models (LLMS) can achieve high token matching scores in terms of likelihood…

Recently, reinforcement learning (RL)-based tuning has shifted the trajectory of Multimodal Large Language Models (MLLMs), particularly following the introduction of Group Relative Policy Optimization (GRPO). However, directly applying it…

Prevalent reinforcement learning~(RL) methods for fine-tuning LLM reasoners, such as GRPO or Leave-one-out PPO, abandon the learned value function in favor of empirically estimated returns. This hinders test-time compute scaling that relies…

De novo molecular design has facilitated the exploration of large chemical space to accelerate drug discovery. Structure-based de novo method can overcome the data scarcity of active ligands by incorporating drug-target interaction into…

Pseudo-Labeling has emerged as a simple yet effective technique for semi-supervised object detection (SSOD). However, the inevitable noise problem in pseudo-labels significantly degrades the performance of SSOD methods. Recent advances…

Process Reward Models (PRMs) provide step-level supervision that improves the reliability of reasoning in large language models. While PRMs have been extensively studied in text-based domains, their extension to Vision Language Models…

This research introduces a novel application of a masked Proximal Policy Optimization (PPO) algorithm from the field of deep reinforcement learning (RL), for determining the most efficient sequence of space debris visitation, utilizing the…

Reinforcement learning (RL) has emerged as an effective approach for enhancing the reasoning capabilities of large language models (LLMs), especially in scenarios where supervised fine-tuning (SFT) falls short due to limited…

In this paper we study online Reinforcement Learning (RL) in partially observable dynamical systems. We focus on the Predictive State Representations (PSRs) model, which is an expressive model that captures other well-known models such as…

Most provably-efficient learning algorithms introduce optimism about poorly-understood states and actions to encourage exploration. We study an alternative approach for efficient exploration, posterior sampling for reinforcement learning…

This paper delves into the problem of safe reinforcement learning (RL) in a partially observable environment with the aim of achieving safe-reachability objectives. In traditional partially observable Markov decision processes (POMDP),…

We seek to automate the design of molecules based on specific chemical properties. Our primary contributions are a simpler method for generating SMILES strings guaranteed to be chemically valid, using a combination of a new context-free…

Reinforcement Learning with Verifiable Rewards (RLVR) has emerged as an indispensable paradigm for enhancing reasoning in Large Language Models (LLMs). However, standard policy optimization methods, such as Group Relative Policy…