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The aim of the inverse chemical design is to develop new molecules with given optimized molecular properties or objectives. Recently, generative deep learning (DL) networks are considered as the state-of-the-art in inverse chemical design…

Machine Learning · Computer Science 2019-10-10 Haoran Wei , Mariefel Olarte , Garrett B. Goh

In silico design and optimization of new materials primarily relies on high-accuracy atomic simulators that perform density functional theory (DFT) calculations. While recent works showcase the strong potential of machine learning to…

Machine Learning · Computer Science 2025-09-30 Prashant Govindarajan , Mathieu Reymond , Antoine Clavaud , Mariano Phielipp , Santiago Miret , Sarath Chandar

This paper studies satisfaction of temporal properties on unknown stochastic processes that have continuous state spaces. We show how reinforcement learning (RL) can be applied for computing policies that are finite-memory and deterministic…

Systems and Control · Electrical Eng. & Systems 2020-09-29 Milad Kazemi , Sadegh Soudjani

Offline reinforcement learning (RL) tries to learn the near-optimal policy with recorded offline experience without online exploration. Current offline RL research includes: 1) generative modeling, i.e., approximating a policy using fixed…

Machine Learning · Computer Science 2021-06-23 Hua Wei , Deheng Ye , Zhao Liu , Hao Wu , Bo Yuan , Qiang Fu , Wei Yang , Zhenhui Li

Continuous reinforcement learning such as DDPG and A3C are widely used in robot control and autonomous driving. However, both methods have theoretical weaknesses. While DDPG cannot control noises in the control process, A3C does not satisfy…

Machine Learning · Computer Science 2019-08-09 Tianhao Chen , Limei Cheng , Yang Liu , Wenchuan Jia , Shugen Ma

In unsupervised data generation tasks, besides the generation of a sample based on previous observations, one would often like to give hints to the model in order to bias the generation towards desirable metrics. We propose a method that…

We propose a new reinforcement learning (RL) formulation for training continuous-time score-based diffusion models for generative AI to generate samples that maximize reward functions while keeping the generated distributions close to the…

Machine Learning · Computer Science 2025-08-12 Xuefeng Gao , Jiale Zha , Xun Yu Zhou

Advanced wireless networks must support highly dynamic and heterogeneous service demands. Open Radio Access Network (O-RAN) architecture enables this flexibility by adopting modular, disaggregated components, such as the RAN Intelligent…

Machine Learning · Computer Science 2025-06-03 Fatemeh Lotfi , Hossein Rajoli , Fatemeh Afghah

Rapid identification of candidate materials with target properties has become a key task in materials science. Machine learning has emerged as an alternative to physics-based simulation, offering a faster and cheaper way to filter materials…

Artificial Intelligence · Computer Science 2026-05-19 Claire Schlesinger , Circe Hsu , Peter Schindler , Robin Walters

Deep Reinforcement Learning achieves very good results in domains where reward functions can be manually engineered. At the same time, there is growing interest within the community in using games based on Procedurally Content Generation…

Machine Learning · Computer Science 2020-12-07 Alessandro Sestini , Alexander Kuhnle , Andrew D. Bagdanov

The theory of continuous-time reinforcement learning (RL) has progressed rapidly in recent years. While the ultimate objective of RL is typically to learn deterministic control policies, most existing continuous-time RL methods rely on…

Machine Learning · Computer Science 2026-03-17 Ziheng Cheng , Xin Guo , Yufei Zhang

Retrieval-augmented generation (RAG) systems rely on retrieval models for identifying relevant contexts and answer generation models for utilizing those contexts. However, retrievers exhibit imperfect recall and precision, limiting…

Computation and Language · Computer Science 2026-04-29 Jerry Huang , Siddarth Madala , Risham Sidhu , Cheng Niu , Hao Peng , Julia Hockenmaier , Tong Zhang

Batch reinforcement learning (RL) aims at leveraging pre-collected data to find an optimal policy that maximizes the expected total rewards in a dynamic environment. The existing methods require absolutely continuous assumption (e.g., there…

Machine Learning · Statistics 2024-06-27 Xiaohong Chen , Zhengling Qi , Runzhe Wan

In inverse reinforcement learning (IRL), a learning agent infers a reward function encoding the underlying task using demonstrations from experts. However, many existing IRL techniques make the often unrealistic assumption that the agent…

Machine Learning · Computer Science 2023-01-04 Franck Djeumou , Christian Ellis , Murat Cubuktepe , Craig Lennon , Ufuk Topcu

Reinforcement learning (RL) has emerged as a promising strategy for finetuning small language models (SLMs) to solve targeted tasks such as math and coding. However, RL algorithms tend to be resource-intensive, taking a significant amount…

Machine Learning · Computer Science 2025-10-07 Lianghuan Huang , Sagnik Anupam , Insup Lee , Shuo Li , Osbert Bastani

Stylistic response generation is crucial for building an engaging dialogue system for industrial use. While it has attracted much research interest, existing methods often generate stylistic responses at the cost of the content quality…

Computation and Language · Computer Science 2020-04-07 Yixuan Su , Deng Cai , Yan Wang , Simon Baker , Anna Korhonen , Nigel Collier , Xiaojiang Liu

Inverse design of solid-state materials with desired properties represents a formidable challenge in materials science. Although recent generative models have demonstrated potential, their adoption has been hindered by limitations such as…

Materials Science · Physics 2024-08-15 Yan Chen , Xueru Wang , Xiaobin Deng , Yilun Liu , Xi Chen , Yunwei Zhang , Lei Wang , Hang Xiao

Social goods, such as healthcare, smart city, and information networks, often produce ordered event data in continuous time. The generative processes of these event data can be very complex, requiring flexible models to capture their…

Machine Learning · Computer Science 2020-12-29 Shuang Li , Shuai Xiao , Shixiang Zhu , Nan Du , Yao Xie , Le Song

Reinforcement Learning (RL) is a general framework concerned with an agent that seeks to maximize rewards in an environment. The learning typically happens through trial and error using explorative methods, such as epsilon-greedy. There are…

Machine Learning · Computer Science 2022-10-06 Per-Arne Andersen , Morten Goodwin , Ole-Christoffer Granmo

Reinforcement learning (RL) has become a promising paradigm for optimizing Retrieval-Augmented Generation (RAG) in complex reasoning tasks. However, traditional outcome-based RL approaches often suffer from reward sparsity and inefficient…

Artificial Intelligence · Computer Science 2026-01-30 Zhao Wang , Ziliang Zhao , Zhicheng Dou