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The rapid advancement of Generative Artificial Intelligence (AI), such as Large Language Models (LLMs) and Multimodal Large Language Models (MLLM), has the potential to revolutionize the way we work and interact with digital systems across…

Human-Computer Interaction · Computer Science 2024-05-28 Carlos Toxtli

Combinatorial optimization augmented machine learning (COAML) has recently emerged as a powerful paradigm for integrating predictive models with combinatorial decision-making. By embedding combinatorial optimization oracles into learning…

Machine Learning · Computer Science 2026-01-16 Maximilian Schiffer , Heiko Hoppe , Yue Su , Louis Bouvier , Axel Parmentier

Machine learning interatomic potentials (MLIPs) have become powerful tools to extend molecular simulations beyond the limits of quantum methods, offering near-quantum accuracy at much lower computational cost. Yet, developing reliable MLIPs…

Materials Science · Physics 2025-12-30 Adam Lahouari , Jutta Rogal , Mark E. Tuckerman

Traditional atomistic machine learning (ML) models serve as surrogates for quantum mechanical (QM) properties, predicting quantities such as dipole moments and polarizabilities, directly from compositions and geometries of atomic…

In this work, we have developed a multiscale computational algorithm to couple finite element method with an open source molecular dynamics code --- the Large scale Atomic/Molecular Massively Parallel Simulator (LAMMPS) --- to perform…

Soft Condensed Matter · Physics 2019-09-17 Takahiro Murashima , Shingo Urata , Shaofan Li

Applying pre-trained models to assist point cloud understanding has recently become a mainstream paradigm in 3D perception. However, existing application strategies are straightforward, utilizing only the final output of the pre-trained…

Computer Vision and Pattern Recognition · Computer Science 2025-05-28 Yaohua Zha , Yanzi Wang , Hang Guo , Jinpeng Wang , Tao Dai , Bin Chen , Zhihao Ouyang , Xue Yuerong , Ke Chen , Shu-Tao Xia

Hybrid precoding has been recognized as a promising technology to combat the path loss of millimeter wave signals in massive multiple-input multiple-output (MIMO) systems. However, due to the joint optimization of the digital and analog…

Signal Processing · Electrical Eng. & Systems 2019-04-12 Ling Zhang , Lin Gui , Kai Ying , Qibo Qin

The implementation difficulties of combining distribution matching (DM) and dematching (invDM) for probabilistic shaping (PS) with soft-decision forward error correction (FEC) coding can be relaxed by reverse concatenation, for which the…

Signal Processing · Electrical Eng. & Systems 2024-01-25 Tsuyoshi Yoshida , Magnus Karlsson , Erik Agrell

We introduce a novel variant of cutting production planning problems named Integrated Cutting and Packing Heterogeneous Precast Beams Multiperiod Production Planning (ICP-HPBMPP). We propose an integer linear programming model for the…

Optimization and Control · Mathematics 2020-08-27 Kennedy Araujo , Tiberius Bonates , Bruno Prata

A vital problem in solving classification or regression problem is to apply feature engineering and variable selection on data before fed into models.One of a most popular feature engineering method is to discretisize continous variable…

Applications · Statistics 2020-09-23 Weijian Luo , Yongxian Long

Planning in hybrid systems with both discrete and continuous control variables is important for dealing with real-world applications such as extra-planetary exploration and multi-vehicle transportation systems. Meanwhile, generating…

Robotics · Computer Science 2021-02-23 Jingkai Chen , Brian Williams , Chuchu Fan

Quantum computing is transitioning from laboratory research to industrial deployment, yet significant challenges persist: system scalability and performance, fabrication yields, and the advancement of algorithms and applications. We…

We employ chordal decomposition to reformulate a large and sparse semidefinite program (SDP), either in primal or dual standard form, into an equivalent SDP with smaller positive semidefinite (PSD) constraints. In contrast to previous…

Optimization and Control · Mathematics 2020-08-07 Yang Zheng , Giovanni Fantuzzi , Antonis Papachristodoulou , Paul Goulart , Andrew Wynn

Traditional heterogeneous parallel algorithms, designed for heterogeneous clusters of workstations, are based on the assumption that the absolute speed of the processors does not depend on the size of the computational task. This assumption…

Distributed, Parallel, and Cluster Computing · Computer Science 2011-09-15 Alexey Lastovetsky , Ravi Reddy , Vladimir Rychkov , David Clarke

Today's scientific challenges, from climate modeling to Inertial Confinement Fusion design to novel material design, require exploring huge design spaces. In order to enable high-impact scientific discovery, we need to scale up our ability…

The field of additive manufacturing (AM) has advanced considerably over recent decades through the development of novel methods, materials, and systems. However, as the field approaches maturity, it is relevant to investigate the scaling…

Materials Science · Physics 2023-07-28 David M. Wirth , Chi Chung Li , Jonathan K. Pokorski , Hayden K. Taylor , Maxim Shusteff

This paper presents PyCAALP (Python-based Computer-Aided Assembly Line Planning), a framework for automated Assembly Sequence Planning (ASP) and Production Line Planning (PLP), employing a graph-based approach to model components and joints…

The automated assembly of complex products requires a system that can automatically plan a physically feasible sequence of actions for assembling many parts together. In this paper, we present ASAP, a physics-based planning approach for…

Quantum state preparation lies at the heart of quantum computation and quantum simulations, enabling the investigation of complex manybody systems across physics, chemistry, and data science. While existing methods such as Variational…

Quantum Physics · Physics 2026-01-27 Davide Cugini , Giacomo Guarnieri , Mario Motta , Dario Gerace

A parallel numerical simulation algorithm is presented for fractional-order systems involving Caputo-type derivatives, based on the Adams-Bashforth-Moulton (ABM) predictor-corrector scheme. The parallel algorithm is implemented using…

Mathematical Software · Computer Science 2017-10-04 Cosmin Bonchis , Eva Kaslik , Florin Rosu