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Deep generative models, such as generative adversarial networks (GANs), have been employed for $de~novo$ molecular generation in drug discovery. Most prior studies have utilized reinforcement learning (RL) algorithms, particularly Monte…

Biomolecules · Quantitative Biology 2025-09-09 Huidong Tang , Chen Li , Sayaka Kamei , Yoshihiro Yamanishi , Yasuhiko Morimoto

Attacks on machine learning models have been extensively studied through stateless optimization. In this paper, we demonstrate how a reinforcement learning (RL) agent can learn a new class of attack algorithms that generate adversarial…

Cryptography and Security · Computer Science 2025-11-20 Kyle Domico , Jean-Charles Noirot Ferrand , Ryan Sheatsley , Eric Pauley , Josiah Hanna , Patrick McDaniel

We present Agent Lightning, a flexible and extensible framework that enables Reinforcement Learning (RL)-based training of Large Language Models (LLMs) for any AI agent. Unlike existing methods that tightly couple RL training with agent or…

Artificial Intelligence · Computer Science 2025-08-06 Xufang Luo , Yuge Zhang , Zhiyuan He , Zilong Wang , Siyun Zhao , Dongsheng Li , Luna K. Qiu , Yuqing Yang

Applying deep reinforcement learning (RL) on real systems suffers from slow data sampling. We propose an enhanced generative adversarial network (EGAN) to initialize an RL agent in order to achieve faster learning. The EGAN utilizes the…

Artificial Intelligence · Computer Science 2017-05-30 Vincent Huang , Tobias Ley , Martha Vlachou-Konchylaki , Wenfeng Hu

The library RNGSSELIB for random number generators (RNGs) based upon the SSE2 command set is presented. The library contains realization of a number of modern and most reliable generators. Usage of SSE2 command set allows to substantially…

Computational Physics · Physics 2011-04-19 L. Yu. Barash , L. N. Shchur

Reinforcement Learning (RL) is an important machine learning paradigm for solving sequential decision-making problems. Recent years have witnessed remarkable progress in this field due to the rapid development of deep neural networks.…

Machine Learning · Computer Science 2026-04-08 Chaofan Pan , Xin Yang , Yanhua Li , Wei Wei , Tianrui Li , Bo An , Jiye Liang

Reinforcement learning (RL) has emerged as a promising approach to improve large language model (LLM) reasoning, yet most open efforts focus narrowly on math and code, limiting our understanding of its broader applicability to general…

Retrieval-Augmented Generation (RAG) has been shown to enhance the factual accuracy of Large Language Models (LLMs), but existing methods often suffer from limited reasoning capabilities in effectively using the retrieved evidence,…

Computation and Language · Computer Science 2024-10-03 Shayekh Bin Islam , Md Asib Rahman , K S M Tozammel Hossain , Enamul Hoque , Shafiq Joty , Md Rizwan Parvez

We present a long-horizon, hierarchical deep research (DR) agent designed for complex materials and device discovery problems that exceed the scope of existing Machine Learning (ML) surrogates and closed-source commercial agents. Our…

Machine Learning · Computer Science 2025-12-04 Rui Ding , Rodrigo Pires Ferreira , Yuxin Chen , Junhong Chen

This study focuses on the development of a simulation-driven reinforcement learning (RL) framework for optimizing routing decisions in complex queueing network systems, with a particular emphasis on manufacturing and communication…

Artificial Intelligence · Computer Science 2025-07-28 Fatima Al-Ani , Molly Wang , Jevon Charles , Aaron Ong , Joshua Forday , Vinayak Modi

The exponential growth in the number of complex datasets every year requires more enhancement in machine learning methods to provide robust and accurate data classification. Lately, deep learning approaches have achieved surpassing results…

Machine Learning · Computer Science 2018-10-22 Mojtaba Heidarysafa , Kamran Kowsari , Donald E. Brown , Kiana Jafari Meimandi , Laura E. Barnes

Equipping large language models (LLMs) with complex, interleaved reasoning and tool-use capabilities has become a key focus in agentic AI research, especially with recent advances in reasoning-oriented (``thinking'') models. Such…

Artificial Intelligence · Computer Science 2025-09-10 Xuan-Phi Nguyen , Shrey Pandit , Revanth Gangi Reddy , Austin Xu , Silvio Savarese , Caiming Xiong , Shafiq Joty

This work proposes a novel technique Augmented Reinforcement Learning framework for the improvement of decision-making capabilities of machine learning models. The introduction of agents as external overseers checks on model decisions. The…

Machine Learning · Computer Science 2025-08-05 Sandesh Kumar Singh

Reinforcement Learning is an area of Machine Learning focused on how agents can be trained to make sequential decisions, and achieve a particular goal within an arbitrary environment. While learning, they repeatedly take actions based on…

In recent years deep reinforcement learning (RL) systems have attained superhuman performance in a number of challenging task domains. However, a major limitation of such applications is their demand for massive amounts of training data. A…

In recent years some researchers have explored the use of reinforcement learning (RL) algorithms as key components in the solution of various natural language processing tasks. For instance, some of these algorithms leveraging deep neural…

Computation and Language · Computer Science 2026-04-29 Victor Uc-Cetina , Nicolas Navarro-Guerrero , Anabel Martin-Gonzalez , Cornelius Weber , Stefan Wermter

Evolutionary search-based techniques are commonly used for testing autonomous robotic systems. However, these approaches often rely on computationally expensive simulator-based models for test scenario evaluation. To improve the…

Robotics · Computer Science 2024-11-26 Dmytro Humeniuk , Foutse Khomh , Giuliano Antoniol

Recent studies developed jailbreaking attacks, which construct jailbreaking prompts to fool LLMs into responding to harmful questions. Early-stage jailbreaking attacks require access to model internals or significant human efforts. More…

Cryptography and Security · Computer Science 2025-01-28 Xuan Chen , Yuzhou Nie , Wenbo Guo , Xiangyu Zhang

Reinforcement learning (RL) has demonstrated potential in enhancing the reasoning capabilities of large language models (LLMs), but such training typically demands substantial efforts in creating and annotating data. In this work, we…

Computation and Language · Computer Science 2025-10-06 Hangfan Zhang , Siyuan Xu , Zhimeng Guo , Huaisheng Zhu , Shicheng Liu , Xinrun Wang , Qiaosheng Zhang , Yang Chen , Peng Ye , Lei Bai , Shuyue Hu

Reinforcement learning (RL) promises a framework for near-universal problem-solving. In practice however, RL algorithms are often tailored to specific benchmarks, relying on carefully tuned hyperparameters and algorithmic choices. Recently,…

Machine Learning · Computer Science 2025-01-28 Scott Fujimoto , Pierluca D'Oro , Amy Zhang , Yuandong Tian , Michael Rabbat
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