English
Related papers

Related papers: Guiding Evolutionary Molecular Design: Adding Rein…

200 papers

Open-Vocabulary Multimodal Emotion Recognition (OV-MER) aims to predict emotions without being constrained by predefined label spaces, thereby enabling fine-grained emotion understanding. Unlike traditional discriminative methods, OV-MER…

Human-Computer Interaction · Computer Science 2026-05-08 Zheng Lian , Fan Zhang , Lan Chen , Yazhou Zhang , Rui Liu , Jinyang Wu , Haoyu Chen , Xiaobai Li , Xiaojiang Peng , Bin He , Jianhua Tao

As the demand for mobile robots continues to increase, social navigation has emerged as a critical task, driving active research into deep reinforcement learning (RL) approaches. However, because pedestrian dynamics and social conventions…

Robotics · Computer Science 2026-04-10 Haruto Nagahisa , Kohei Matsumoto , Yuki Tomita , Yuki Hyodo , Ryo Kurazume

Molecular "fingerprints" encoding structural information are the workhorse of cheminformatics and machine learning in drug discovery applications. However, fingerprint representations necessarily emphasize particular aspects of the…

Machine Learning · Statistics 2016-08-26 Steven Kearnes , Kevin McCloskey , Marc Berndl , Vijay Pande , Patrick Riley

Building on the affective dream-replay reinforcement learning framework of CosmoCore, we introduce CosmoCore-Evo, an extension that incorporates evolutionary algorithms to enhance adaptability and novelty in code generation tasks. Inspired…

Software Engineering · Computer Science 2025-12-29 Santhosh Kumar Ravindran

The goal of most materials discovery is to discover materials that are superior to those currently known. Fundamentally, this is close to extrapolation, which is a weak point for most machine learning models that learn the probability…

Biomolecules · Quantitative Biology 2024-05-08 Hyunseung Kim , Haeyeon Choi , Dongju Kang , Won Bo Lee , Jonggeol Na

The ongoing energy crisis has underscored the urgent need for energy-efficient materials with high energy utilization efficiency, prompting a surge in research into organic compounds due to their environmental compatibility, cost-effective…

Chemical Physics · Physics 2025-07-24 Qi Ou , Hongshuai Wang , Minyang Zhuang , Shangqian Chen , Lele Liu , Ning Wang , Zhifeng Gao

Interacting with the actual environment to acquire data is often costly and time-consuming in robotic tasks. Model-based offline reinforcement learning (RL) provides a feasible solution. On the one hand, it eliminates the requirements of…

Machine Learning · Computer Science 2023-10-17 Pengqin Wang , Meixin Zhu , Shaojie Shen

Evolution Strategies (ES) is a class of powerful black-box optimisation methods that are highly parallelisable and can handle non-differentiable and noisy objectives. However, na\"ive ES becomes prohibitively expensive at scale on GPUs due…

Residual Reinforcement Learning (RL) is a popular approach for adapting pretrained policies by learning a lightweight residual policy that provides corrective actions. While Residual RL is more sample-efficient than finetuning the entire…

Machine Learning · Computer Science 2026-03-16 Lakshita Dodeja , Karl Schmeckpeper , Shivam Vats , Thomas Weng , Mingxi Jia , George Konidaris , Stefanie Tellex

We apply reinforcement learning (RL) to robotics tasks. One of the drawbacks of traditional RL algorithms has been their poor sample efficiency. One approach to improve the sample efficiency is model-based RL. In our model-based RL…

Machine Learning · Computer Science 2023-05-16 Adithya Ramesh , Balaraman Ravindran

Lifelong learning aims to create AI systems that continuously and incrementally learn during a lifetime, similar to biological learning. Attempts so far have met problems, including catastrophic forgetting, interference among tasks, and the…

Machine Learning · Computer Science 2023-08-02 Eseoghene Ben-Iwhiwhu , Saptarshi Nath , Praveen K. Pilly , Soheil Kolouri , Andrea Soltoggio

Molecular editing aims to modify a given molecule to optimize desired chemical properties while preserving structural similarity. However, current approaches typically rely on string-based or continuous representations, which fail to…

Machine Learning · Computer Science 2025-05-27 Yuanxin Zhuang , Dazhong Shen , Ying Sun

The fundamental goal of generative drug design is to propose optimized molecules that meet predefined activity, selectivity, and pharmacokinetic criteria. Despite recent progress, we argue that existing generative methods are limited in…

Chemical Physics · Physics 2020-12-17 Julien Horwood , Emmanuel Noutahi

Recently, molecular relational learning, whose goal is to predict the interaction behavior between molecular pairs, got a surge of interest in molecular sciences due to its wide range of applications. In this work, we propose CMRL that is…

Machine Learning · Computer Science 2023-07-24 Namkyeong Lee , Kanghoon Yoon , Gyoung S. Na , Sein Kim , Chanyoung Park

Advancements in additive manufacturing have enabled design and fabrication of materials and structures not previously realizable. In particular, the design space of composite materials and structures has vastly expanded, and the resulting…

In recent years, Deep Reinforcement Learning (DRL) has emerged as a promising method for robot collision avoidance. However, such DRL models often come with limitations, such as adapting effectively to structured environments containing…

Robotics · Computer Science 2023-10-27 Max Asselmeier , Zhaoyi Li , Kelin Yu , Danfei Xu

We address the problem of fine-tuning pre-trained generative policies with reinforcement learning (RL) while preserving the multimodality of their action distributions. Existing methods for RL fine-tuning of generative policies (e.g.,…

Machine Learning · Computer Science 2026-05-13 Alberta Longhini , David Emukpere , Jean-Michel Renders , Seungsu Kim

Deep neural networks, despite their remarkable success, remain fundamentally limited in their ability to perform Continual Learning (CL). While most current methods aim to enhance the capabilities of a single model, Inspired by the…

Machine Learning · Computer Science 2025-08-01 Aojun Lu , Junchao Ke , Chunhui Ding , Jiahao Fan , Jiancheng Lv , Yanan Sun

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…

Computer Vision and Pattern Recognition · Computer Science 2025-11-21 Jingjing Jiang , Chongjie Si , Jun Luo , Hanwang Zhang , Chao Ma

Evolutionary algorithms have been used to evolve a population of actors to generate diverse experiences for training reinforcement learning agents, which helps to tackle the temporal credit assignment problem and improves the exploration…

Neural and Evolutionary Computing · Computer Science 2023-04-21 Chengpeng Hu , Jiyuan Pei , Jialin Liu , Xin Yao