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Papers matching “enhanced sampling” 22

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Multimap targeted free energy estimation
2023 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Andrea Rizzi, Paolo Carloni, Michele Parrinello

3

citations
Predictions of the poses and affinity of a ligand over the entire surface of a NEET protein: the case of human mitoNEET
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Ke Zuo, Riccardo Capelli, Giulia Rossetti, Rachel Nechushtai, Paolo Carloni

1

citations
Tabu-driven Quantum Neighborhood Samplers
2020 Leiden Repository (Leiden University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

3

citations
Probabilistically Rewired Message-Passing Neural Networks
2023 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Chendi Qian, Andrei Manolache, Zhe Zeng, Guy Van den Broeck, Mathias Niepert

4

citations
Ordered Subgraph Aggregation Networks
2022 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Chendi Qian, Gaurav Rattan, Floris Geerts, Mathias Niepert

8

citations
Geometric Deep Learning Methods for Improved Generalizability in Medical Computer Vision: Hyperbolic Convolutional Neural Networks in Multi-Modality Neuroimaging
2024 medRxiv preprint Computer Science Advanced Neural Network Applications Open access

Cyrus Ayubcha, Sulaiman Sajed, Chady Omara, Anna B. Veldman, Shashi B. Singh, Yashas Ullas Lokesha, +4 more

0

citations
Mind the Domain Gap: a Systematic Analysis on Bioacoustic Sound Event Detection
2024 arXiv (Cornell University) preprint Computer Science Music and Audio Processing Open access

Jinhua Liang, Inês Nolasco, Burooj Ghani, Huy Phan, Emmanouil Benetos, Dan Stowell

0

citations
Exposing Finite-Depth, Finite-Shot Guarantees for Constrained Quantum Optimization via Fejér Filtering
2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Chinonso Onah, Kristel F. L. Michielsen

0

citations
Polynomial Time Quantum Approximation Schemes for Constrained Optimisation
2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Chinonso Onah, Kristel F. L. Michielsen

0

citations
Empirical Quantum Advantage in Constrained Optimization from Encoded Unitary Designs
2025 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

0

citations
Vision Also You Need: Navigating Out-of-Distribution Detection with Multimodal Large Language Model
2026 arXiv (Cornell University) preprint Computer Science Adversarial Robustness in Machine Learning Open access

Haoran Xu, Yanlin Liu, Zizhao Tong, Jiaze Li, Kexue Fu, Yuyang Zhang, +5 more

0

citations
Auto deep learning for bioacoustic signals
2023 arXiv (Cornell University) preprint Computer Science Music and Audio Processing Open access

Giulio Tosato, Joshua Luke Janssen, Kees Kamp, Pramatya Jati, Dan Stowell

0

citations
Enhancing SLMs for Sustainable Code Optimization in Radio-Astronomy
2026 arXiv (Cornell University) preprint Computer Science Software Engineering Research Open access

Elisa Chiarotto, Jingbo Li, P. Chris Broekema, Rob V. van Nieuwpoort

0

citations
GestaltMatcher Database - A global reference for facial phenotypic variability in rare human diseases
2023 medRxiv preprint Computer Science Face recognition and analysis Open access

Hellen Lesmann, Alexander Hustinx, Shahida Moosa, Hannah Klinkhammer, Elaine J. Marchi, Pilar Caro, +93 more

25

citations
ReG-SAM: Reference Graph-Driven SAM for 2D Foundational Vessel Segmentation
2026 arXiv (Cornell University) preprint Computer Science Medical Image Segmentation Techniques Open access

Donghang Lyu, Zichen Zhang, Oleh Dzyubachyk, Marius Staring

0

citations
QUIDS: Query Intent Description for Exploratory Search via Dual Space Modeling
2024 arXiv (Cornell University) preprint Computer Science Information Retrieval and Search Behavior Open access

Yumeng Wang, Xiuying Chen, Suzan Verberne

0

citations
Self-supervised learning for denoising quasiparticle interference data
2024 arXiv (Cornell University) preprint Computer Science Image and Signal Denoising Methods Open access

Ilse S. Kuijf, Willem O. Tromp, Tjerk Benschop, Niño Philip Ramones, Miguel Antonio Sulangi, Evert van Nieuwenburg, +1 more

0

citations
Reinforced Efficient Reasoning via Semantically Diverse Exploration
2026 arXiv (Cornell University) preprint Computer Science Reinforcement Learning in Robotics Open access

Ziqi Zhao, Zhaochun Ren, Jiahong Zou, Liu Yang, Zhiwei Xu, Xuri Ge, +6 more

0

citations
Reinforced Efficient Reasoning via Semantically Diverse Exploration
2026 arXiv (Cornell University) preprint Computer Science Reinforcement Learning in Robotics Open access

Ziqi Zhao, Zhaochun Ren, Jiahong Zou, Liu Yang, Zhiwei Xu, Xuri Ge, +6 more

0

citations
Robust Communication and Computation using Deep Learning via Joint Uncertainty Injection
2024 arXiv (Cornell University) preprint Computer Science IoT and Edge/Fog Computing Open access

Robert-Jeron Reifert, Hayssam Dahrouj, Alaa Alameer Ahmad, Haris Gacanin, Aydin Sezgin

0

citations
Rashomon Alignment
2026 arXiv (Cornell University) preprint Computer Science Explainable Artificial Intelligence (XAI) Open access

Moisés Santos, Peter van der Putten, Bernhard Pfahringer, Carlos Soares

0

citations
FAL-CUR: Fair Active Learning using Uncertainty and Representativeness on Fair Clustering
2022 arXiv (Cornell University) preprint Computer Science Machine Learning and Algorithms Open access

Ricky Maulana Fajri, Akrati Saxena, Mykola Pechenizkiy

0

citations

22 results