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We introduce a machine-learning (ML) framework for high-throughput benchmarking of diverse representations of chemical systems against datasets of materials and molecules. The guiding principle underlying the benchmarking approach is to…

Machine Learning · Computer Science 2021-12-07 Carl Poelking , Felix A. Faber , Bingqing Cheng

Quantum machine learning (QML) is promising for potential speedups and improvements in conventional machine learning (ML) tasks (e.g., classification/regression). The search for ideal QML models is an active research field. This includes…

Quantum Physics · Physics 2022-02-07 Mahabubul Alam , Swaroop Ghosh

Mixture-of-Experts (MoE) Large Language Models (LLMs) face a trilemma of load imbalance, parameter redundancy, and communication overhead. We introduce a unified framework based on dynamic expert clustering and structured compression to…

Computation and Language · Computer Science 2026-02-06 Peijun Zhu , Ning Yang , Baoliang Tian , Jiayu Wei , Weihao Zhang , Haijun Zhang , Pin Lv

This paper presents a groundbreaking self-improving interference management framework tailored for wireless communications, integrating deep learning with uncertainty quantification to enhance overall system performance. Our approach…

Machine Learning · Computer Science 2024-01-25 Hyun-Suk Lee , Do-Yup Kim , Kyungsik Min

This paper introduces the QMDP-net, a neural network architecture for planning under partial observability. The QMDP-net combines the strengths of model-free learning and model-based planning. It is a recurrent policy network, but it…

Artificial Intelligence · Computer Science 2017-11-06 Peter Karkus , David Hsu , Wee Sun Lee

Deep learning models are favored in many research and industry areas and have reached the accuracy of approximating or even surpassing human level. However they've long been considered by researchers as black-box models for their…

Machine Learning · Computer Science 2020-10-16 Xiaojian Wang , Jingyuan Wang , Ke Tang

Most metric learning algorithms, as well as Fisher's Discriminant Analysis (FDA), optimize some cost function of different measures of within-and between-class distances. On the other hand, Support Vector Machines(SVMs) and several Multiple…

Machine Learning · Computer Science 2013-09-17 Huyen Do , Alexandros Kalousis

Quantum machine learning (QML) is a computational paradigm that seeks to apply quantum-mechanical resources to solve learning problems. As such, the goal of this framework is to leverage quantum processors to tackle optimization,…

Quantum Physics · Physics 2025-11-21 Su Yeon Chang , M. Cerezo

Learning a distance metric from the given training samples plays a crucial role in many machine learning tasks, and various models and optimization algorithms have been proposed in the past decade. In this paper, we generalize several…

Machine Learning · Computer Science 2013-09-24 Faqiang Wang , Wangmeng Zuo , Lei Zhang , Deyu Meng , David Zhang

This paper presents a framework to tackle constrained combinatorial optimization problems using deep Reinforcement Learning (RL). To this end, we extend the Neural Combinatorial Optimization (NCO) theory in order to deal with constraints in…

Machine Learning · Computer Science 2020-06-23 Ruben Solozabal , Josu Ceberio , Martin Takáč

Large language models (LLMs) increasingly rely on long-context processing, but expanding context windows introduces substantial computational and financial costs. Existing context reduction approaches, including retrieval and memory…

Computation and Language · Computer Science 2026-05-25 Binqi Shen , Lier Jin , Hanyu Cai , Lan Hu , Yuting Xin

LLM-powered coding agents spend the majority of their token budget reading repository files, yet much of the retrieved code is irrelevant to the task at hand. Existing learned pruners compress this context with a single-objective sequence…

Artificial Intelligence · Computer Science 2026-05-18 Jingjing Wang , Xiwen Chen , Wenhui Zhu , Huayu Li , Zhengxiao He , Feiyang Cai , Ana S. Carreon-Rascon , Xuanzhao Dong , Feng Luo

Neural network pruning can be formulated as a combinatorial optimization problem, yet most existing approaches rely on greedy heuristics that ignore complex interactions between filters. Formal optimization methods such as Quadratic…

Computer Vision and Pattern Recognition · Computer Science 2026-04-08 Osama Orabi , Artur Zagitov , Hadi Salloum , Viktor A. Lobachev , Kasymkhan Khubiev , Yaroslav Kholodov

We propose a novel approach to addressing two fundamental challenges in Model-based Reinforcement Learning (MBRL): the computational expense of repeatedly finding a good policy in the learned model, and the objective mismatch between model…

Machine Learning · Computer Science 2023-03-02 Anirudh Vemula , Yuda Song , Aarti Singh , J. Andrew Bagnell , Sanjiban Choudhury

Databases are fundamental to contemporary information systems, yet traditional rule-based configuration methods struggle to manage the complexity of real-world applications with hundreds of tunable parameters. Deep reinforcement learning…

Artificial Intelligence · Computer Science 2024-06-24 Jiahan Chen , Shuhan Qi , Yifan Li , Zeyu Dong , Mingfeng Ding , Yulin Wu , Xuan Wang

Computer models play a key role in many scientific and engineering problems. One major source of uncertainty in computer model experiment is input parameter uncertainty. Computer model calibration is a formal statistical procedure to infer…

Machine Learning · Statistics 2020-09-09 Saumya Bhatnagar , Won Chang , Seonjin Kim Jiali Wang

Quantum kernel methods (QKMs) have emerged as a prominent framework for supervised quantum machine learning. Unlike variational quantum algorithms, which rely on gradient-based optimisation and may suffer from issues such as barren…

Quantum Physics · Physics 2026-04-10 John Tanner , Chon-Fai Kam , Jingbo Wang

Deep sequence models, ranging from Transformers and State Space Models (SSMs) to more recent approaches such as gated linear RNNs, fundamentally compute outputs as linear combinations of past value vectors. To draw insights and…

Machine Learning · Computer Science 2026-04-14 Jerome Sieber , Antonio Orvieto , Melanie N. Zeilinger , Carmen Amo Alonso

The adoption of deep learning across various fields has been extensive, yet there is a lack of focus on evaluating the performance of deep learning pipelines. Typically, with the increased use of large datasets and complex models, the…

Machine Learning · Computer Science 2024-05-21 Yewen Fan , Nian Si , Xiangchen Song , Kun Zhang

Learning to defer uncertain predictions to costly experts offers a powerful strategy for improving the accuracy and efficiency of machine learning systems. However, standard training procedures for deferral algorithms typically require…

Machine Learning · Computer Science 2025-10-31 Giulia DeSalvo , Clara Mohri , Mehryar Mohri , Yutao Zhong