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Shiyun Nie

dblp:387/0854 · DBLP profile ↗
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2ranked-venue papers
0as first author
2since 2021 · last 2025
—ORCID · none

Domains — the database's venue-derived domains; a paper can count in several

Graphics, computer vision, multimedia, augmented reality and games · 2 · 2 since 2021Artificial intelligence and machine learning · 1 · 1 since 2021Applied, interdisciplinary, general and emerging computing · 1 · 1 since 2021

Expertise — from the expertise taxonomy: the topics of the expert's papers under the CCF categories. A weight counts papers with recency: 1 for a paper about the topic, 0.3 when the topic is its context, halved every five years.

Interdisciplinary, comprehensive, and emerging computing
1 paper
Bioinformatics and computational biology · 100%
Artificial intelligence
1 paper
Graph learning · 100%

Topics — the 3 heaviest of 3, each with the papers that count most for it

TopicWeightPapersLastEvidence papers
Bioinformatics and computational biology › drug discovery › drug-target interaction prediction
drug-target binding affinity prediction
0.912025
M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity · AAAI 2025
Bioinformatics and computational biology
molecular property prediction
0.912025
M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity · AAAI 2025
Machine learning › Graph learning › molecular representation learning
molecular graph learning
0.312025
M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity · AAAI 2025

Methods — techniques the papers use, named apart from their topics

graph neural network · 1.7coarse-to-fine embedding · 1.7adaptive feature fusion · 1.7
YearPublicationVenuePosition
2025 M²N: A Progressive Macro-to-Micro 3D Modeling Scheme for Unveiling Drug-Target Affinity
abstract
Accurate drug-target affinity (DTA) prediction holds significant potential in the field of artificial intelligence (AI)-based drug discovery. However, existing methods primarily operate at a single scale, specifically at the macro (residue) scale for target proteins and the micro (atom) scale for drugs, which limits their ability to provide information at micro (atom) scale for targets and macro (functional group, FG) scale for drugs. This limitation hinders a comprehensive understanding of the binding patterns and properties of drug-target pairs. In this paper, we propose a progressive Macro-to-Micro 3D Modeling Network (M²N) that enables macro (residue/FG) to micro (atom) scale unified modeling, termed cross-scale, to predict DTA. Specifically, M²N operates drugs by learning their chemical properties and structural characteristics from a 3D FG graph to a 3D atom graph. Correspondingly, M²N encodes proteins from a 3D residue graph to a 3D atom graph to exploit their sequence, evolutionary, and geometric representations. Such cross-scale 3D modeling scheme allows for coarse-to-fine embedding optimization, followed by an adaptive fusion module to dynamically integrate the refined features by end-to-end learning. Extensive experiments on two datasets indicate that M²N not only outperforms state-of-the-art methods under various conditions, but also provides a new paradigm for target and drug unified modeling.
Tianxu Lv, Shiyun Nie, Hongnian Tian, Yuan Liu 0021, Lihua Li 0002
AAAI4
2024 Hemodynamic-Driven Multi-prototypes Learning for One-Shot Segmentation in Breast Cancer DCE-MRI
Shiyun Nie, Tianxu Lv, Lihua Li 0002
MICCAI (9)2