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Single-step retrosynthesis is the cornerstone of retrosynthesis planning, which is a crucial task for computer-aided drug discovery. The goal of single-step retrosynthesis is to identify the possible reactants that lead to the synthesis of…

定量方法 · 定量生物学 2022-08-12 Huarui He , Jie Wang , Yunfei Liu , Feng Wu

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…

生物物理 · 物理学 2023-09-11 Henry V. Jakubowski , Henry Agnew , Bartholomew E. Jardine , Herbert M. Sauro

Large Language Models (LLMs) show remarkable potential for few-shot information extraction (IE), yet their performance is highly sensitive to the choice of in-context examples. Conventional selection strategies often fail to provide…

The task of Information Extraction (IE) involves automatically converting unstructured textual content into structured data. Most research in this field concentrates on extracting all facts or a specific set of relationships from documents.…

计算与语言 · 计算机科学 2024-01-19 Nicolas Gutehrlé , Iana Atanassova

With access to large datasets, deep neural networks (DNN) have achieved human-level accuracy in image and speech recognition tasks. However, in chemistry, data is inherently small and fragmented. In this work, we develop an approach of…

机器学习 · 统计学 2018-08-16 Garrett B. Goh , Charles Siegel , Abhinav Vishnu , Nathan O. Hodas

The detection of nuclei is one of the most fundamental components of computational pathology. Current state-of-the-art methods are based on deep learning, with the prerequisite that extensive labeled datasets are available. The increasing…

图像与视频处理 · 电气工程与系统科学 2019-07-11 Nicolas Brieu , Armin Meier , Ansh Kapil , Ralf Schoenmeyer , Christos G. Gavriel , Peter D. Caie , Günter Schmidt

This paper addresses the problem of key phrase extraction from sentences. Existing state-of-the-art supervised methods require large amounts of annotated data to achieve good performance and generalization. Collecting labeled data is,…

计算与语言 · 计算机科学 2019-04-09 Jue Wang , Ke Chen , Lidan Shou , Sai Wu , Sharad Mehrotra

In the study of rare events in complex systems with many degrees of freedom, a key element is to identify the reaction coordinates of a given process. Over recent years, a number of methods and protocols have been developed to extract the…

化学物理 · 物理学 2015-10-27 Wenjin Li , Ao Ma

Declaration of Performance (DoP) documents, mandated by EU regulation, specify characteristics of construction products, such as fire resistance and insulation. While this information is essential for quality control and reducing carbon…

计算与语言 · 计算机科学 2026-01-15 Gaye Colakoglu , Gürkan Solmaz , Jonathan Fürst

Information extraction (IE) is a fundamental area in natural language processing where prompting large language models (LLMs), even with in-context examples, cannot defeat small LMs tuned on very small IE datasets. We observe that IE tasks,…

计算与语言 · 计算机科学 2024-04-02 Letian Peng , Zilong Wang , Feng Yao , Zihan Wang , Jingbo Shang

Diagnostic and intervention methodologies for skill assessment of autism typically requires a clinician repetitively initiating several stimuli and recording the child's response. In this paper, we propose to automate the response…

计算机视觉与模式识别 · 计算机科学 2020-01-30 Prashant Pandey , Prathosh AP , Manu Kohli , Josh Pritchard

Distant supervision (DS) has been widely used to generate auto-labeled data for sentence-level relation extraction (RE), which improves RE performance. However, the existing success of DS cannot be directly transferred to the more…

计算与语言 · 计算机科学 2020-11-10 Chaojun Xiao , Yuan Yao , Ruobing Xie , Xu Han , Zhiyuan Liu , Maosong Sun , Fen Lin , Leyu Lin

Distantly supervision automatically generates plenty of training samples for relation extraction. However, it also incurs two major problems: noisy labels and imbalanced training data. Previous works focus more on reducing wrongly labeled…

计算与语言 · 计算机科学 2021-05-24 Chenhao Xie , Jiaqing Liang , Jingping Liu , Chengsong Huang , Wenhao Huang , Yanghua Xiao

Motivation: The biomedical literature contains a wealth of chemical-protein interactions (CPIs). Automatically extracting CPIs described in biomedical literature is essential for drug discovery, precision medicine, as well as basic…

计算与语言 · 计算机科学 2020-04-27 Cong Sun , Zhihao Yang , Leilei Su , Lei Wang , Yin Zhang , Hongfei Lin , Jian Wang

Relation Extraction (RE) is a pivotal task in automatically extracting structured information from unstructured text. In this paper, we present a multi-faceted approach that integrates representative examples and through co-set expansion.…

计算与语言 · 计算机科学 2023-08-24 Yerong Li , Roxana Girju

Organic synthesis stands as a cornerstone of the chemical industry. The development of robust machine learning models to support tasks associated with organic reactions is of significant interest. However, current methods rely on…

机器学习 · 计算机科学 2025-01-06 Kaipeng Zeng , Xianbin Liu , Yu Zhang , Xiaokang Yang , Yaohui Jin , Yanyan Xu

Early identification of Adverse Drug Events (ADE) is critical for taking prompt actions while introducing new drugs into the market. These ADEs information are available through various unstructured data sources like clinical study reports,…

计算与语言 · 计算机科学 2024-12-23 Vinayak Arannil , Tomal Deb , Atanu Roy

Open Information Extraction (OIE) task aims at extracting structured facts from unstructured text, typically in the form of (subject, relation, object) triples. Despite the potential of large language models (LLMs) like ChatGPT as a general…

While text-based event extraction has been an active research area and has seen successful application in many domains, extracting semantic events from speech directly is an under-explored problem. In this paper, we introduce the Speech…

计算与语言 · 计算机科学 2024-01-30 Jingqi Kang , Tongtong Wu , Jinming Zhao , Guitao Wang , Guilin Qi , Yuan-Fang Li , Gholamreza Haffari

Adverse drug events (ADEs) are unexpected incidents caused by the administration of a drug or medication. To identify and extract these events, we require information about not just the drug itself but attributes describing the drug (e.g.,…

计算与语言 · 计算机科学 2021-04-23 Darshini Mahendran , Bridget T. McInnes