Related papers: C-MORAL: Controllable Multi-Objective Molecular Op…

Goal-oriented de novo molecule design, namely generating molecules with specific property or substructure constraints, is a crucial yet challenging task in drug discovery. Existing methods, such as Bayesian optimization and reinforcement…

The number of large language models (LLMs) with varying parameter scales and vocabularies is increasing. While they deliver powerful performance, they also face a set of common optimization needs to meet specific requirements or standards,…

Large Language Models (LLMs) have achieved remarkable performance across various reasoning tasks, yet post-training is constrained by inefficient sample utilization and inflexible difficulty samples processing. To address these limitations,…

Multi-objective reinforcement learning (MORL) algorithms tackle sequential decision problems where agents may have different preferences over (possibly conflicting) reward functions. Such algorithms often learn a set of policies (each…

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Multimodal large language models (MLLMs) have made impressive progress in many applications in recent years. However, chemical MLLMs that can handle cross-modal understanding and generation remain underexplored. To fill this gap, we propose…

While large language models (LLMs) have recently made tremendous progress towards solving challenging AI problems, they have done so at increasingly steep computational and API costs. We propose a novel strategy where we combine multiple…

It is notoriously difficult to control the behavior of reinforcement learning agents. Agents often learn to exploit the environment or reward signal and need to be retrained multiple times. The multi-objective reinforcement learning (MORL)…

Multimodal Large Language Models (MLLMs) excel in vision-language reasoning but often struggle with structured perception tasks requiring precise localization and robustness. We propose a reinforcement learning framework that augments Group…

Many advances that have improved the robustness and efficiency of deep reinforcement learning (RL) algorithms can, in one way or another, be understood as introducing additional objectives or constraints in the policy optimization step.…

This paper investigates multi-objective reinforcement learning (MORL), which focuses on learning Pareto optimal policies in the presence of multiple reward functions. Despite MORL's significant empirical success, there is still a lack of…

Reinforcement learning (RL) has shown promise as a tool for engineering safe, ethical, or legal behaviour in autonomous agents. Its use typically relies on assigning punishments to state-action pairs that constitute unsafe or unethical…

Leveraging multiple large language models (LLMs) to build collaborative multi-agentic workflows has demonstrated significant potential. However, most previous studies focus on prompting the out-of-the-box LLMs, relying on their innate…

Recently, online Reinforcement Learning with Verifiable Rewards (RLVR) has become a key paradigm for enhancing the reasoning capabilities of Large Language Models (LLMs). However, existing methods typically treat all training samples…

This paper presents a pioneering exploration of reinforcement learning (RL) via group relative policy optimization for unified multimodal large language models (ULMs), aimed at simultaneously reinforcing generation and understanding…

Recent advances in language models have enabled framing molecule generation as sequence modeling. However, existing approaches often rely on single-objective reinforcement learning, limiting their applicability to real-world drug design,…

As large language model agents tackle increasingly complex long-horizon tasks, effective post-training becomes critical. Prior work faces fundamental challenges: outcome-only rewards fail to precisely attribute credit to intermediate steps,…

With increasing size of large language models (LLMs), full-parameter fine-tuning imposes substantial memory demands. To alleviate this, we propose a novel memory-efficient training paradigm called Momentum Low-rank compression (MLorc). The…

In Multi-objective Reinforcement Learning (MORL) agents are tasked with optimising decision-making behaviours that trade-off between multiple, possibly conflicting, objectives. MORL based on decomposition is a family of solution methods…

We propose Conformal Mixed-Integer Constraint Learning (C-MICL), a novel framework that provides probabilistic feasibility guarantees for data-driven constraints in optimization problems. While standard Mixed-Integer Constraint Learning…