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Cross-modal retrieval is gaining increasing efficacy and interest from the research community, thanks to large-scale training, novel architectural and learning designs, and its application in LLMs and multimodal LLMs. In this paper, we move…

Computer Vision and Pattern Recognition · Computer Science 2025-03-05 Davide Caffagni , Sara Sarto , Marcella Cornia , Lorenzo Baraldi , Rita Cucchiara

Mathematical information is essential for technical work, but its creation, interpretation, and search are challenging. To help address these challenges, researchers have developed multimodal search engines and mathematical question…

Information Retrieval · Computer Science 2025-01-15 Richard Zanibbi , Behrooz Mansouri , Anurag Agarwal

The construction of a reaction network containing all relevant intermediates and elementary reactions is necessary for the accurate description of chemical processes. In the case of a complex chemical reaction (involving, for instance, many…

Chemical Physics · Physics 2017-12-19 Gregor N. Simm , Markus Reiher

Rapid developments of AI tools are expected to offer unprecedented assistance to the research of natural science including chemistry. However, neither existing unimodal task-specific specialist models nor emerging general large multimodal…

Machine Learning · Computer Science 2025-01-03 Zihan Zhao , Bo Chen , Jingpiao Li , Lu Chen , Liyang Wen , Pengyu Wang , Zichen Zhu , Danyang Zhang , Ziping Wan , Yansi Li , Zhongyang Dai , Xin Chen , Kai Yu

Content-based information retrieval is based on the information contained in documents rather than using metadata such as keywords. Most information retrieval methods are either based on text or image. In this paper, we investigate the…

Computation and Language · Computer Science 2020-10-02 Golsa Tahmasebzadeh , Sherzod Hakimov , Eric Müller-Budack , Ralph Ewerth

Materials science workflows rely on structured and unstructured data from the vast body of available scientific literature. However, most of the experimental details remain buried in text, tables, graphs and figures. Thus, constructing…

Computation and Language · Computer Science 2026-05-07 Achuth Chandrasekhar , Omid Barati Farimani , Radheesh Sharma Meda , Amir Barati Farimani

The production of microchips is a complex and thus well documented process. Therefore, available textual data about the production can be overwhelming in terms of quantity. This affects the visibility and retrieval of a certain piece of…

Information Retrieval · Computer Science 2021-05-12 H. Abu-Rasheed , C. Weber , J. Zenkert , P. Czerner , R. Krumm , M. Fathi

The development of AI-assisted chemical synthesis tools requires comprehensive datasets covering diverse reaction types, yet current high-throughput experimental (HTE) approaches are expensive and limited in scope. Chemical literature…

Information Retrieval · Computer Science 2025-07-01 Kexin Chen , Yuyang Du , Junyou Li , Hanqun Cao , Menghao Guo , Xilin Dang , Lanqing Li , Jiezhong Qiu , Pheng Ann Heng , Guangyong Chen

We develop a broadly-applicable computational method for the automatic exploration of the bimolecular multi-reaction mechanism. The current methodology mainly involves the high-energy Born-Oppenheimer molecular dynamics (BOMD) simulation…

Chemical Physics · Physics 2021-12-24 Qinghai Cui , Jiawei Peng , Chao Xu , Zhenggang Lan

Biology is perhaps the most complex of the sciences, given the incredible variety of chemical species that are interconnected in spatial and temporal pathways that are daunting to understand. Their interconnections lead to emergent…

Biological Physics · Physics 2023-09-11 Henry V. Jakubowski , Henry Agnew , Bartholomew E. Jardine , Herbert M. Sauro

Artificial intelligence has demonstrated immense potential in scientific research. Within molecular science, it is revolutionizing the traditional computer-aided paradigm, ushering in a new era of deep learning. With recent progress in…

Biomolecules · Quantitative Biology 2024-03-22 Yi Xiao , Xiangxin Zhou , Qiang Liu , Liang Wang

Semantic retrieval (also known as dense retrieval) based on textual data has been extensively studied for both web search and product search application fields, where the relevance of a query and a potential target document is computed by…

Information Retrieval · Computer Science 2025-02-18 Dong Liu , Esther Lopez Ramos

Tables are common and important in scientific documents, yet most text-based document search systems do not capture structures and semantics specific to tables. How to bridge different types of mismatch between keywords queries and…

Information Retrieval · Computer Science 2017-07-13 Kyle Yingkai Gao , Jamie Callan

Researchers and scientists increasingly rely on specialized information retrieval (IR) or recommendation systems (RS) to support them in their daily research tasks. Paper recommender systems are one such tool scientists use to stay on top…

Information Retrieval · Computer Science 2022-05-12 Corinna Breitinger , Kay Herklotz , Tim Flegelskamp , Norman Meuschke

In this paper, we propose a multi-modal search engine for interior design that combines visual and textual queries. The goal of our engine is to retrieve interior objects, e.g. furniture or wall clocks, that share visual and aesthetic…

Computer Vision and Pattern Recognition · Computer Science 2018-01-09 Ivona Tautkute , Aleksandra Możejko , Wojciech Stokowiec , Tomasz Trzciński , Łukasz Brocki , Krzysztof Marasek

We address the extraction of mathematical statements and their proofs from scholarly PDF articles as a multimodal classification problem, utilizing text, font features, and bitmap image renderings of PDFs as distinct modalities. We propose…

Artificial Intelligence · Computer Science 2024-10-14 Shrey Mishra , Antoine Gauquier , Pierre Senellart

We introduce PolyRecommender, a multimodal discovery framework that integrates chemical language representations from PolyBERT with molecular graph-based representations from a graph encoder. The system first retrieves candidate polymers…

Machine Learning · Computer Science 2025-11-04 Xin Wang , Yunhao Xiao , Rui Qiao

Multimodal search has become increasingly important in providing users with a natural and effective way to ex-press their search intentions. Images offer fine-grained details of the desired products, while text allows for easily…

Computer Vision and Pattern Recognition · Computer Science 2024-04-25 Oriol Barbany , Michael Huang , Xinliang Zhu , Arnab Dhua

This paper is a survey discussing Information Retrieval concepts, methods, and applications. It goes deep into the document and query modelling involved in IR systems, in addition to pre-processing operations such as removing stop words and…

Information Retrieval · Computer Science 2012-12-11 Youssef Bassil

Information retrieval is indispensable for today's Internet applications, yet traditional semantic matching techniques often fall short in capturing the fine-grained cross-modal interactions required for complex queries. Although…

Computer Vision and Pattern Recognition · Computer Science 2025-02-28 Lang Huang , Qiyu Wu , Zhongtao Miao , Toshihiko Yamasaki