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Drug discovery through virtual screening (VS) has become a popular strategy for identifying hits against protein targets. Alongside VS, molecular design further expands accessible chemical space. Together, these approaches have the…

Biomolecules · Quantitative Biology 2025-10-15 Shanzhuo Zhang , Xianbin Ye , Donglong He , Yueyang Huang , Xiaonan Zhang , Xiaomin Fang

Filtered approximate nearest neighbor search (FANNS), an extension of approximate nearest neighbor search (ANNS) that incorporates scalar filters, has been widely applied to constrained retrieval of vector data. Despite its growing…

Databases · Computer Science 2025-05-13 Yanjun Lin , Kai Zhang , Zhenying He , Yinan Jing , X. Sean Wang

Approximate nearest neighbor search for vectors relies on indexes that are most often accessed from RAM. Therefore, storage is the factor limiting the size of the database that can be served from a machine. Lossy vector compression, i.e.,…

Machine Learning · Computer Science 2025-01-22 Daniel Severo , Giuseppe Ottaviano , Matthew Muckley , Karen Ullrich , Matthijs Douze

Graph-based indexing is the dominant approach for approximate nearest neighbor search in vector databases, offering high recall with low latency across billions of vectors. However, in such indices, the edge set of the proximity graph is…

Databases · Computer Science 2026-03-03 Sami Abuzakuk , Anne-Marie Kermarrec , Rafael Pires , Mathis Randl , Martijn de Vos

Much of the recent improvement in neural networks for computer vision has resulted from discovery of new networks architectures. Most prior work has used the performance of candidate models following limited training to automatically guide…

Computer Vision and Pattern Recognition · Computer Science 2019-09-09 Pouya Bashivan , Mark Tensen , James J DiCarlo

Bytewise approximate matching algorithms have in recent years shown significant promise in de- tecting files that are similar at the byte level. This is very useful for digital forensic investigators, who are regularly faced with the…

Cryptography and Security · Computer Science 2022-11-15 David Lillis , Frank Breitinger , Mark Scanlon

Computer science texts are particularly rich in both narrative content and illustrative charts, algorithms, images, annotated diagrams, etc. This study explores the extent to which vector-based multimodal retrieval, powered by…

Information Retrieval · Computer Science 2025-09-11 Beth Plale , Sai Navya Jyesta , Sachith Withana

Vector databases typically rely on approximate nearest neighbor (ANN) search to retrieve the top-k closest vectors to a query in embedding space. While effective, this approach often yields semantically redundant results, missing the…

Machine Learning · Computer Science 2025-07-29 Rahul Raja , Arpita Vats

Traditional database management systems need help efficiently represent and querying the complex, high-dimensional data prevalent in modern applications. Vector databases offer a solution by storing data as numerical vectors within a…

Databases · Computer Science 2024-03-20 Gulshan Yadav , RahulKumar Yadav , Mansi Viramgama , Mayank Viramgama , Apeksha Mohite

Graph-based high-dimensional vector indices have become a mainstream solution for large-scale approximate nearest neighbor search (ANNS). However, their substantial memory footprint often requires storage on secondary devices, where…

Databases · Computer Science 2025-08-22 Yijie Zhou , Shengyuan Lin , Shufeng Gong , Song Yu , Shuhao Fan , Yanfeng Zhang , Ge Yu

Vector database management systems have emerged as an important component in modern data management, driven by the growing importance for the need to computationally describe rich data such as texts, images and video in various domains such…

Databases · Computer Science 2025-01-15 Toni Taipalus

We develop the first approximate inference algorithm for 1-Best (and M-Best) decoding in bidirectional neural sequence models by extending Beam Search (BS) to reason about both forward and backward time dependencies. Beam Search (BS) is a…

Computer Vision and Pattern Recognition · Computer Science 2017-05-25 Qing Sun , Stefan Lee , Dhruv Batra

This paper tackles the task of storing a large collection of vectors, such as visual descriptors, and of searching in it. To this end, we propose to approximate database vectors by constrained sparse coding, where possible atom weights are…

Computer Vision and Pattern Recognition · Computer Science 2016-08-12 Himalaya Jain , Patrick Pérez , Rémi Gribonval , Joaquin Zepeda , Hervé Jégou

Embedding-based retrieval methods construct vector indices to search for document representations that are most similar to the query representations. They are widely used in document retrieval due to low latency and decent recall…

Visual search is an essential part of almost any everyday human goal-directed interaction with the environment. Nowadays, several algorithms are able to predict gaze positions during simple observation, but few models attempt to simulate…

Computer Vision and Pattern Recognition · Computer Science 2021-12-14 F. Travi , G. Ruarte , G. Bujia , J. E. Kamienkowski

Community search aims at finding densely connected subgraphs for query vertices in a graph. While this task has been studied widely in the literature, most of the existing works only focus on finding homogeneous communities rather than…

Social and Information Networks · Computer Science 2021-05-21 Zheng Dong , Xin Huang , Guorui Yuan , Hengshu Zhu , Hui Xiong

In this paper, we propose a new data structure for approximate nearest neighbor search. This structure augments the neighborhood graph with a bridge graph. We propose to exploit Cartesian concatenation to produce a large set of vectors,…

Computer Vision and Pattern Recognition · Computer Science 2013-12-12 Jingdong Wang , Jing Wang , Gang Zeng , Rui Gan , Shipeng Li , Baining Guo

Efficient vector query processing is critical to enable AI applications at scale. Recent solutions struggle with growing vector datasets that exceed single-machine memory capacity, forcing unnecessary data movement and resource…

Databases · Computer Science 2025-05-20 Yi Liu , Fei Fang , Chen Qian

This paper addresses the nearest neighbor search problem under inner product similarity and introduces a compact code-based approach. The idea is to approximate a vector using the composition of several elements selected from a source…

Computer Vision and Pattern Recognition · Computer Science 2014-06-23 Chao Du , Jingdong Wang

The objective of this paper is to design an embedding method that maps local features describing an image (e.g. SIFT) to a higher dimensional representation useful for the image retrieval problem. First, motivated by the relationship…

Computer Vision and Pattern Recognition · Computer Science 2017-04-05 Thanh-Toan Do , Ngai-Man Cheung
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