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Protein-ligand binding prediction is central to virtual screening and affinity ranking, two fundamental tasks in drug discovery. While recent retrieval-based methods embed ligands and protein pockets into Euclidean space for…

Machine Learning · Computer Science 2025-11-25 Jianhui Wang , Wenyu Zhu , Bowen Gao , Xin Hong , Ya-Qin Zhang , Wei-Ying Ma , Yanyan Lan

Foundation models pre-trained on massive datasets, including large language models (LLMs), vision-language models (VLMs), and large multimodal models, have demonstrated remarkable success in diverse downstream tasks. However, recent studies…

Machine Learning · Computer Science 2025-07-25 Neil He , Hiren Madhu , Ngoc Bui , Menglin Yang , Rex Ying

Finding meaningful representations and distances of hierarchical data is important in many fields. This paper presents a new method for hierarchical data embedding and distance. Our method relies on combining diffusion geometry, a central…

Machine Learning · Computer Science 2023-05-31 Ya-Wei Eileen Lin , Ronald R. Coifman , Gal Mishne , Ronen Talmon

The choice of approximate posterior distributions plays a central role in stochastic variational inference (SVI). One effective solution is the use of normalizing flows \cut{defined on Euclidean spaces} to construct flexible posterior…

Machine Learning · Computer Science 2020-08-14 Avishek Joey Bose , Ariella Smofsky , Renjie Liao , Prakash Panangaden , William L. Hamilton

Graph convolutional neural networks (GCNs) embed nodes in a graph into Euclidean space, which has been shown to incur a large distortion when embedding real-world graphs with scale-free or hierarchical structure. Hyperbolic geometry offers…

Machine Learning · Computer Science 2019-10-30 Ines Chami , Rex Ying , Christopher Ré , Jure Leskovec

In large-scale recommender systems, the user-item networks are generally scale-free or expand exponentially. The latent features (also known as embeddings) used to describe the user and item are determined by how well the embedding space…

Information Retrieval · Computer Science 2022-05-31 Menglin Yang , Min Zhou , Jiahong Liu , Defu Lian , Irwin King

Object-centric representations promise a key property for few-shot learning: Rather than treating a scene as a single unit, a model can decompose it into individual object-level parts that can be matched and compared across different…

Machine Learning · Computer Science 2026-05-19 Phu-Quy Nguyen-Lam , Phu-Hoa Pham , Dao Sy Duy Minh , Chi-Nguyen Tran , Huynh Trung Kiet , Long Tran-Thanh

Real-world visual data exhibit intrinsic hierarchical structures that can be represented effectively in hyperbolic spaces. Hyperbolic neural networks (HNNs) are a promising approach for learning feature representations in such spaces.…

Computer Vision and Pattern Recognition · Computer Science 2024-02-08 Ahmad Bdeir , Kristian Schwethelm , Niels Landwehr

Object-centric learning aims to decompose an input image into a set of meaningful object files (slots). These latent object representations enable a variety of downstream tasks. Yet, object-centric learning struggles on real-world datasets,…

Computer Vision and Pattern Recognition · Computer Science 2025-06-10 Krishnakant Singh , Simone Schaub-Meyer , Stefan Roth

Representing graphs as sets of node embeddings in certain curved Riemannian manifolds has recently gained momentum in machine learning due to their desirable geometric inductive biases, e.g., hierarchical structures benefit from hyperbolic…

Machine Learning · Computer Science 2020-06-09 Calin Cruceru , Gary Bécigneul , Octavian-Eugen Ganea

Continual learning has traditionally focused on classifying either instances or classes, but real-world applications, such as robotics and self-driving cars, require models to handle both simultaneously. To mirror real-life scenarios, we…

Computer Vision and Pattern Recognition · Computer Science 2025-06-13 Melika Ayoughi , Mina Ghadimi Atigh , Mohammad Mahdi Derakhshani , Cees G. M. Snoek , Pascal Mettes , Paul Groth

We introduce hyperbolic attention networks to endow neural networks with enough capacity to match the complexity of data with hierarchical and power-law structure. A few recent approaches have successfully demonstrated the benefits of…

How can we represent hierarchical information present in large type inventories for entity typing? We study the ability of hyperbolic embeddings to capture hierarchical relations between mentions in context and their target types in a…

Computation and Language · Computer Science 2019-06-07 Federico López , Benjamin Heinzerling , Michael Strube

Hyperbolic space can naturally embed hierarchies, unlike Euclidean space. Hyperbolic Neural Networks (HNNs) exploit such representational power by lifting Euclidean features into hyperbolic space for classification, outperforming Euclidean…

Machine Learning · Computer Science 2022-05-17 Yunhui Guo , Xudong Wang , Yubei Chen , Stella X. Yu

Learning task-specific representations of persistence diagrams is an important problem in topological data analysis and machine learning. However, current state of the art methods are restricted in terms of their expressivity as they are…

Machine Learning · Computer Science 2021-03-18 Panagiotis Kyriakis , Iordanis Fostiropoulos , Paul Bogdan

Hyperbolic spaces, which have the capacity to embed tree structures without distortion owing to their exponential volume growth, have recently been applied to machine learning to better capture the hierarchical nature of data. In this…

Machine Learning · Computer Science 2021-03-18 Ryohei Shimizu , Yusuke Mukuta , Tatsuya Harada

Deep Learning is mostly responsible for the surge of interest in Artificial Intelligence in the last decade. So far, deep learning researchers have been particularly successful in the domain of image processing, where Convolutional Neural…

Machine Learning · Computer Science 2023-08-31 Andrii Skliar , Maurice Weiler

Learning in hyperbolic spaces has attracted increasing attention due to its superior ability to model hierarchical structures of data. Most existing hyperbolic learning methods use fixed distance measures for all data, assuming a uniform…

Computer Vision and Pattern Recognition · Computer Science 2025-06-24 Pengxiang Li , Yuwei Wu , Zhi Gao , Xiaomeng Fan , Wei Wu , Zhipeng Lu , Yunde Jia , Mehrtash Harandi

While numerous Video Violence Detection (VVD) methods have focused on representation learning in Euclidean space, they struggle to learn sufficiently discriminative features, leading to weaknesses in recognizing normal events that are…

Computer Vision and Pattern Recognition · Computer Science 2024-10-01 Jiaxu Leng , Zhanjie Wu , Mingpi Tan , Yiran Liu , Ji Gan , Haosheng Chen , Xinbo Gao

Hyperbolic representation learning has been widely used to extract implicit hierarchies within data, and recently it has found its way to the open-world classification task of Generalized Category Discovery (GCD). However, prior hyperbolic…

Machine Learning · Computer Science 2026-02-06 Mohamad Dalal , Thomas B. Moeslund , Joakim Bruslund Haurum