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Papers matching “design representation” 45

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DrugEx v3: Scaffold-Constrained Drug Design with Graph Transformer-based Reinforcement Learning
2021 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Xuhan Liu, Kai Ye, Herman van Vlijmen, Adriaan P. IJzerman, Gerard J. P. van Westen

11

citations
UnCorrupt SMILES: a novel approach to de novo design
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Linde Schoenmaker, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen

3

citations
UnCorrupt SMILES: a novel approach to de novo design
2022 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Linde Schoenmaker, Olivier J. M. Béquignon, Willem Jespers, Gerard J. P. van Westen

3

citations
AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen

1

citations
AlphaFold meets de novo drug design: leveraging structural protein information in multi-target molecular generative models
2024 ChemRxiv preprint Computer Science Computational Drug Discovery Methods Open access

Andrius Bernatavicius, Martin Šícho, Antonius P. A. Janssen, Alan Kai Hassen, Mike Preuß, Gerard J. P. van Westen

0

citations
ExPAN(N)D: Exploring Posits for Efficient Artificial Neural Network Design in FPGA-Based Systems
2020 arXiv (Cornell University) preprint Computer Science Numerical Methods and Algorithms Open access

Suresh Nambi, Salim Ullah, Siva Satyendra Sahoo, Aditya Lohana, Farhad Merchant, Akash S. Kumar

4

citations
Optimal Refinement in Dynamic Discretisation Discovery for Continuous-Time Service Network Design
2026 arXiv (Cornell University) preprint Computer Science Complexity and Algorithms in Graphs Open access

Alexander Helber, Oliver Bachtler, Tom Wüllner

0

citations
New Ideas and Trends in Deep Multimodal Content Understanding: A Review
2020 arXiv (Cornell University) preprint Computer Science Multimodal Machine Learning Applications Open access

Wei Chen, Weiping Wang, Li Liu, Michael S. Lew

3

citations
Tabular foundation models for in-context prediction of molecular properties
2026 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Karim Ben Hicham, Jan G. Rittig, Martin Grohe, Alexander Mitsos

0

citations
A FAIR layer for the INHERENT haemoglobinopathy patient registry
2026 medRxiv preprint Computer Science Research Data Management Practices Open access

Stella Tamana, Christina Yiangou, Kalia Orphanou, Maria Xenophontos, Panayiota L. Papasavva, César H. Bernabé, +12 more

0

citations
Residual Connections and Normalization Can Provably Prevent Oversmoothing in GNNs
2024 arXiv (Cornell University) preprint Computer Science Advanced Graph Neural Networks Open access

Michael Scholkemper, Xinyi Wu, Ali Jadbabaie, Michael T. Schaub

1

citations
Lifelong Person Re-Identification via Adaptive Knowledge Accumulation
2021 arXiv (Cornell University) preprint Computer Science Video Surveillance and Tracking Methods Open access

Nan Pu, Wei Ren Chen, Yu Liu, Erwin M. Bakker, Michael S. Lew

9

citations
Graph neural networks for the prediction of molecular structure-property relationships
2022 arXiv (Cornell University) preprint Computer Science Computational Drug Discovery Methods Open access

Jan G. Rittig, Qinghe Gao, Manuel Dahmen, Alexander Mitsos, Artur M. Schweidtmann

2

citations
DoE2Vec: Deep-learning Based Features for Exploratory Landscape Analysis
2023 arXiv (Cornell University) preprint Computer Science Metaheuristic Optimization Algorithms Research Open access

Bas van Stein, Fu Xing Long, Moritz A. Frenzel, Peter Krause, Markus Gitterle, Thomas Bäck

3

citations
Symbolic Pauli Propagation for Gradient-Enabled Pre-Training of Quantum Circuits
2025 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

0

citations
Differentiable Semantic ID for Generative Recommendation
2026 arXiv (Cornell University) preprint Computer Science Recommender Systems and Techniques Open access

Junchen Fu, Xuri Ge, Alexandros Karatzoglou, Ioannis Arapakis, Suzan Verberne, Joemon M. Jose, +1 more

0

citations
Computational Capabilities and Compiler Development for Neutral Atom Quantum Processors: Connecting Tool Developers and Hardware Experts
2023 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

L. Schmid, David F. Locher, Manuel Rispler, Sebastian Blatt, Johannes Zeiher, Markus Michael Müller, +1 more

0

citations
Differentiable Semantic ID for Generative Recommendation
2026 arXiv (Cornell University) preprint Computer Science Recommender Systems and Techniques Open access

Junchen Fu, Xuri Ge, Alexandros Karatzoglou, Ioannis Arapakis, Suzan Verberne, Joemon M. Jose, +1 more

0

citations
Adaptive Encoding Strategy for Quantum Annealing in Mixed-Variable Engineering Optimization
2026 arXiv (Cornell University) preprint Computer Science Quantum Computing Algorithms and Architecture Open access

Fabian Key, Lukas Freinberger, Mayu Muramatsu, Norbert Hosters

0

citations
On the geometry and topology of representations: the manifolds of modular addition
2025 arXiv (Cornell University) preprint Computer Science Neural Networks and Applications Open access

Gabriela Moisescu-Pareja, Gavin McCracken, Harley Wiltzer, Vincent Létourneau, Colin Daniels, Doina Precup, +1 more

0

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
Towards General Negotiation Strategies with End-to-End Reinforcement Learning
2024 arXiv (Cornell University) preprint Computer Science Multi-Agent Systems and Negotiation Open access

Bram M. Renting, Thomas M. Moerland, Holger H. Hoos, Catholijn M. Jonker

0

citations
Attention Swin U-Net: Cross-Contextual Attention Mechanism for Skin Lesion Segmentation
2022 arXiv (Cornell University) preprint Computer Science Medical Image Segmentation Techniques Open access

Ehsan Khodapanah Aghdam, Reza Azad, Maral Zarvani, Dorit Merhof

7

citations
HiFormer: Hierarchical Multi-scale Representations Using Transformers for Medical Image Segmentation
2022 arXiv (Cornell University) preprint Computer Science Medical Image Segmentation Techniques Open access

Moein Heidari, Amirhossein Kazerouni, Milad Soltany, Reza Azad, Ehsan Khodapanah Aghdam, Julien Cohen‐Adad, +1 more

3

citations
CE-VAE: Capsule Enhanced Variational AutoEncoder for Underwater Image Enhancement
2024 arXiv (Cornell University) preprint Computer Science Image Enhancement Techniques Open access

Rita Pucci, Niki Martinel

2

citations