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Reward design is a fundamental problem in reinforcement learning (RL). A misspecified or poorly designed reward can result in low sample efficiency and undesired behaviors. In this paper, we propose the idea of programmatic reward design,…

Machine Learning · Computer Science 2022-01-10 Weichao Zhou , Wenchao Li

Traditional drug discovery programs are being transformed by the advent of machine learning methods. Among these, Generative AI methods (GM) have gained attention due to their ability to design new molecules and enhance specific properties…

Designing reward functions is a challenging problem in AI and robotics. Humans usually have a difficult time directly specifying all the desirable behaviors that a robot needs to optimize. One common approach is to learn reward functions…

Robotics · Computer Science 2020-06-05 Erdem Bıyık , Nicolas Huynh , Mykel J. Kochenderfer , Dorsa Sadigh

General-purpose planning algorithms for automated driving combine mission, behavior, and local motion planning. Such planning algorithms map features of the environment and driving kinematics into complex reward functions. To achieve this,…

Robotics · Computer Science 2020-09-17 Sascha Rosbach , Vinit James , Simon Großjohann , Silviu Homoceanu , Xing Li , Stefan Roth

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

Designing effective auxiliary rewards for cooperative multi-agent systems remains challenging, as misaligned incentives can induce suboptimal coordination, particularly when sparse task rewards provide insufficient grounding for coordinated…

Machine Learning · Computer Science 2026-04-07 Dogan Urgun , Gokhan Gungor

Recent developments in artificial intelligence and automation support a new drug design paradigm: autonomous drug design. Under this paradigm, generative models can provide suggestions on thousands of molecules with specific properties, and…

Designing a good reward function is essential to robot planning and reinforcement learning, but it can also be challenging and frustrating. The reward needs to work across multiple different environments, and that often requires many…

Robotics · Computer Science 2018-06-08 Ellis Ratner , Dylan Hadfield-Menell , Anca D. Dragan

We study reward-free reinforcement learning (RL) with linear function approximation, where the agent works in two phases: (1) in the exploration phase, the agent interacts with the environment but cannot access the reward; and (2) in the…

Machine Learning · Computer Science 2024-02-15 Junkai Zhang , Weitong Zhang , Quanquan Gu

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

Reward design is a critical part of the application of reinforcement learning, the performance of which strongly depends on how well the reward signal frames the goal of the designer and how well the signal assesses progress in reaching…

Machine Learning · Computer Science 2022-08-01 Yixiang Wang , Yujing Hu , Feng Wu , Yingfeng Chen

Reinforcement Learning (RL) in environments with complex, history-dependent reward structures poses significant challenges for traditional methods. In this work, we introduce a novel approach that leverages automaton-based feedback to guide…

Machine Learning · Computer Science 2025-10-20 Mahyar Alinejad , Alvaro Velasquez , Yue Wang , George Atia

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

Autonomous agents optimize the reward function we give them. What they don't know is how hard it is for us to design a reward function that actually captures what we want. When designing the reward, we might think of some specific training…

Artificial Intelligence · Computer Science 2020-10-08 Dylan Hadfield-Menell , Smitha Milli , Pieter Abbeel , Stuart Russell , Anca Dragan

Dynamic Algorithm Configuration (DAC) has garnered significant attention in recent years, particularly in the prevalence of machine learning and deep learning algorithms. Numerous studies have leveraged the robustness of decision-making in…

Machine Learning · Computer Science 2025-07-10 Tai Nguyen , Phong Le , André Biedenkapp , Carola Doerr , Nguyen Dang

Combination therapy has shown to improve therapeutic efficacy while reducing side effects. Importantly, it has become an indispensable strategy to overcome resistance in antibiotics, anti-microbials, and anti-cancer drugs. Facing enormous…

Molecular Networks · Quantitative Biology 2020-04-24 Mostafa Karimi , Arman Hasanzadeh , Yang shen

A Markov decision process can be parameterized by a transition kernel and a reward function. Both play essential roles in the study of reinforcement learning as evidenced by their presence in the Bellman equations. In our inquiry of various…

Machine Learning · Computer Science 2023-09-04 Falcon Z. Dai

Reinforcement-learning agents seek to maximize a reward signal through environmental interactions. As humans, our job in the learning process is to design reward functions to express desired behavior and enable the agent to learn such…

Machine Learning · Computer Science 2024-08-08 Zhiyuan Zhou , Shreyas Sundara Raman , Henry Sowerby , Michael L. Littman

Preference-based learning of reward functions, where the reward function is learned using comparison data, has been well studied for complex robotic tasks such as autonomous driving. Existing algorithms have focused on learning reward…

Robotics · Computer Science 2021-03-05 Sydney M. Katz , Amir Maleki , Erdem Bıyık , Mykel J. Kochenderfer

Data generation and labeling are often expensive in robot learning. Preference-based learning is a concept that enables reliable labeling by querying users with preference questions. Active querying methods are commonly employed in…

Machine Learning · Computer Science 2024-02-27 Erdem Bıyık , Nima Anari , Dorsa Sadigh
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