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We study the problem of reducing the amount of labeled training data required to train supervised classification models. We approach it by leveraging Active Learning, through sequential selection of examples which benefit the model most.…

Machine Learning · Computer Science 2019-01-18 Fedor Zhdanov

Fine-tuning a pre-trained generative model has demonstrated good performance in generating promising drug molecules. The fine-tuning task is often formulated as a reinforcement learning problem, where previous methods efficiently learn to…

Machine Learning · Computer Science 2025-11-12 Hampus Gummesson Svensson , Christian Tyrchan , Ola Engkvist , Morteza Haghir Chehreghani

Deep learning-based approaches for generating novel drug molecules with specific properties have gained a lot of interest in the last few years. Recent studies have demonstrated promising performance for string-based generation of novel…

Biomolecules · Quantitative Biology 2025-02-18 Hampus Gummesson Svensson , Christian Tyrchan , Ola Engkvist , Morteza Haghir Chehreghani

Solving real-life sequential decision making problems under partial observability involves an exploration-exploitation problem. To be successful, an agent needs to efficiently gather valuable information about the state of the world for…

Machine Learning · Computer Science 2020-11-03 Haiyan Yin , Yingzhen Li , Sinno Jialin Pan , Cheng Zhang , Sebastian Tschiatschek

The reinforcement fine-tuning area is undergoing an explosion papers largely on optimizing design choices. Though performance gains are often claimed, inconsistent conclusions also arise from time to time, making the progress illusive.…

Machine Learning · Computer Science 2026-02-02 Hong Xie , Xiao Hu , Tao Tan , Haoran Gu , Xin Li , Jianyu Han , Defu Lian , Enhong Chen

Efficient exploration remains a challenging research problem in reinforcement learning, especially when an environment contains large state spaces, deceptive local optima, or sparse rewards. To tackle this problem, we present a…

Artificial Intelligence · Computer Science 2018-10-30 Zhang-Wei Hong , Tzu-Yun Shann , Shih-Yang Su , Yi-Hsiang Chang , Chun-Yi Lee

One of the challenges in online reinforcement learning (RL) is that the agent needs to trade off the exploration of the environment and the exploitation of the samples to optimize its behavior. Whether we optimize for regret, sample…

Machine Learning · Computer Science 2021-11-19 Jean Tarbouriech , Matteo Pirotta , Michal Valko , Alessandro Lazaric

Exploration has been a crucial part of reinforcement learning, yet several important questions concerning exploration efficiency are still not answered satisfactorily by existing analytical frameworks. These questions include exploration…

Machine Learning · Computer Science 2016-12-06 Liangpeng Zhang , Ke Tang , Xin Yao

Exploration is a key challenge in Reinforcement Learning, especially in long-horizon, deceptive and sparse-reward environments. For such applications, population-based approaches have proven effective. Methods such as Quality-Diversity…

Neural and Evolutionary Computing · Computer Science 2022-11-24 Bryan Lim , Manon Flageat , Antoine Cully

Batch reinforcement learning enables policy learning without direct interaction with the environment during training, relying exclusively on previously collected sets of interactions. This approach is, therefore, well-suited for high-risk…

Machine Learning · Computer Science 2024-11-18 Amna Najib , Stefan Depeweg , Phillip Swazinna

We study the reward-free reinforcement learning framework, which is particularly suitable for batch reinforcement learning and scenarios where one needs policies for multiple reward functions. This framework has two phases. In the…

Machine Learning · Computer Science 2020-10-26 Zihan Zhang , Simon S. Du , Xiangyang Ji

This paper reviews exploration techniques in deep reinforcement learning. Exploration techniques are of primary importance when solving sparse reward problems. In sparse reward problems, the reward is rare, which means that the agent will…

Machine Learning · Computer Science 2022-05-03 Pawel Ladosz , Lilian Weng , Minwoo Kim , Hyondong Oh

Reinforcement learning can greatly benefit from the use of options as a way of encoding recurring behaviours and to foster exploration. An important open problem is how can an agent autonomously learn useful options when solving particular…

Machine Learning · Computer Science 2020-01-07 Manuel Del Verme , Bruno Castro da Silva , Gianluca Baldassarre

Scaling reinforcement learning to tens of thousands of parallel environments requires overcoming the limited exploration capacity of a single policy. Ensemble-based policy gradient methods, which employ multiple policies to collect diverse…

Machine Learning · Computer Science 2026-03-04 Naoki Shitanda , Motoki Omura , Tatsuya Harada , Takayuki Osa

"How to evaluate the de novo designs proposed by a generative model?" Despite the transformative potential of generative deep learning in drug discovery, this seemingly simple question has no clear answer. The absence of standardized…

Biomolecules · Quantitative Biology 2025-11-14 Rıza Özçelik , Francesca Grisoni

Reinforcement learning provides an automated framework for learning behaviors from high-level reward specifications, but in practice the choice of reward function can be crucial for good results -- while in principle the reward only needs…

Machine Learning · Computer Science 2022-10-19 Abhishek Gupta , Aldo Pacchiano , Yuexiang Zhai , Sham M. Kakade , Sergey Levine

We consider the problem of reinforcement learning under safety requirements, in which an agent is trained to complete a given task, typically formalized as the maximization of a reward signal over time, while concurrently avoiding…

Machine Learning · Computer Science 2018-09-25 Tu-Hoa Pham , Giovanni De Magistris , Don Joven Agravante , Subhajit Chaudhury , Asim Munawar , Ryuki Tachibana

Discovering functional crystalline materials entails navigating an immense combinatorial design space. While recent advances in generative artificial intelligence have enabled the sampling of chemically plausible compositions and…

Machine Learning · Computer Science 2025-11-11 Hyunsoo Park , Aron Walsh

Equipping artificial agents with useful exploration mechanisms remains a challenge to this day. Humans, on the other hand, seem to manage the trade-off between exploration and exploitation effortlessly. In the present article, we put…

Machine Learning · Computer Science 2022-11-15 Marcel Binz , Eric Schulz

Although reinforcement learning has seen tremendous success recently, this kind of trial-and-error learning can be impractical or inefficient in complex environments. The use of demonstrations, on the other hand, enables agents to benefit…

Machine Learning · Computer Science 2023-03-29 Tongzhou Mu , Hao Su
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