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Prediction of protein-ligand (PL) binding affinity remains the key to drug discovery. Popular approaches in recent years involve graph neural networks (GNNs), which are used to learn the topology and geometry of PL complexes. However, GNNs…

Machine Learning · Computer Science 2022-05-17 Dmitrii Gavrilev , Nurlybek Amangeldiuly , Sergei Ivanov , Evgeny Burnaev

As deep reinforcement learning (RL) showcases its strengths in networking and systems, its pitfalls also come to the public's attention--when trained to handle a wide range of network workloads and previously unseen deployment environments,…

Networking and Internet Architecture · Computer Science 2022-09-09 Zhengxu Xia , Yajie Zhou , Francis Y. Yan , Junchen Jiang

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…

As machine learning transitions increasingly towards real world applications controlling the test-time cost of algorithms becomes more and more crucial. Recent work, such as the Greedy Miser and Speedboost, incorporate test-time budget…

Machine Learning · Computer Science 2019-01-29 Zhixiang Eddie Xu , Matt J. Kusner , Kilian Q. Weinberger , Alice X. Zheng

Seeking to improve model generalization, we consider a new approach based on distributionally robust learning (DRL) that applies stochastic gradient descent to the outer minimization problem. Our algorithm efficiently estimates the gradient…

Machine Learning · Statistics 2020-12-24 Soumyadip Ghosh , Mark Squillante

The search for interpretable reinforcement learning policies is of high academic and industrial interest. Especially for industrial systems, domain experts are more likely to deploy autonomously learned controllers if they are…

Artificial Intelligence · Computer Science 2018-04-05 Daniel Hein , Steffen Udluft , Thomas A. Runkler

Researchers and practitioners are increasingly considering reinforcement learning to optimize decisions in complex domains like robotics and healthcare. To date, these efforts have largely utilized expectation-based learning. However,…

Machine Learning · Computer Science 2026-04-13 Zequn Chen , Wesley J. Marrero

Deep Reinforcement Learning (DRL) is a subfield of machine learning for training autonomous agents that take sequential actions across complex environments. Despite its significant performance in well-known environments, it remains…

We propose a hierarchical entity-centric framework for offline Goal-Conditioned Reinforcement Learning (GCRL) that combines subgoal decomposition with factored structure to solve long-horizon tasks in domains with multiple entities.…

Machine Learning · Computer Science 2026-02-04 Dan Haramati , Carl Qi , Tal Daniel , Amy Zhang , Aviv Tamar , George Konidaris

As a form of artificial intelligence (AI) technology based on interactive learning, deep reinforcement learning (DRL) has been widely applied across various fields and has achieved remarkable accomplishments. However, DRL faces certain…

Machine Learning · Computer Science 2025-02-18 Geng Sun , Wenwen Xie , Dusit Niyato , Fang Mei , Jiawen Kang , Hongyang Du , Shiwen Mao

In classic Reinforcement Learning (RL), the agent maximizes an additive objective of the visited states, e.g., a value function. Unfortunately, objectives of this type cannot model many real-world applications such as experiment design,…

Machine Learning · Computer Science 2024-07-16 Riccardo De Santi , Manish Prajapat , Andreas Krause

Reinforcement Learning (RL) has achieved state-of-the-art results in domains such as robotics and games. We build on this previous work by applying RL algorithms to a selection of canonical online stochastic optimization problems with a…

The deployment of intelligent reinforcement learning (RL) agents on resource-constrained edge devices remains a fundamental challenge due to the substantial memory, computational, and energy requirements of modern deep learning systems.…

Reinforcement Learning (RL) is a well-established framework for sequential decision-making in complex environments. However, state-of-the-art Deep RL (DRL) algorithms typically require large training datasets and often struggle to…

Artificial Intelligence · Computer Science 2026-04-13 Celeste Veronese , Alessandro Farinelli , Daniele Meli

Large language models (LLMs) have recently been adapted to tabular prediction by serializing structured features into natural language, but their performance in low-data regimes remains limited compared to gradient-boosted decision trees…

Machine Learning · Computer Science 2026-05-12 Yi-Siang Wang , Kuan-Yu Chen , Yu-Chen Den , Darby Tien-Hao Chang

Hierarchical reinforcement learning (HRL) improves the efficiency of long-horizon reinforcement-learning tasks with sparse rewards by decomposing the task into a hierarchy of subgoals. The main challenge of HRL is efficient discovery of the…

Machine Learning · Computer Science 2025-07-08 Sadegh Khorasani , Saber Salehkaleybar , Negar Kiyavash , Matthias Grossglauser

There is growing interest in neural network architectures for tabular data. Many general-purpose tabular deep learning models have been introduced recently, with performance sometimes rivaling gradient boosted decision trees (GBDTs). These…

Machine Learning · Computer Science 2021-08-10 James Fiedler

Reinforcement learning (RL) is a goal-oriented learning solution that has proven to be successful for Neural Architecture Search (NAS) on the CIFAR and ImageNet datasets. However, a limitation of this approach is its high computational…

Neural and Evolutionary Computing · Computer Science 2019-12-04 J. Gomez Robles , J. Vanschoren

Online decision tree learning algorithms typically examine all features of a new data point to update model parameters. We propose a novel alternative, Reinforcement Learning- based Decision Trees (RLDT), that uses Reinforcement Learning…

Machine Learning · Computer Science 2015-07-27 Abhinav Garlapati , Aditi Raghunathan , Vaishnavh Nagarajan , Balaraman Ravindran

A big challenge in branch and bound lies in identifying the optimal node within the search tree from which to proceed. Current state-of-the-art selectors utilize either hand-crafted ensembles that automatically switch between naive sub-node…

Machine Learning · Computer Science 2024-06-06 Alexander Mattick , Christopher Mutschler