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Machine learning models that predict the feasibility of chemical reactions have become central to automated synthesis planning. Despite their predictive success, these models often lack transparency and interpretability. We introduce a…

Machine Learning · Computer Science 2025-10-13 Klaus Weinbauer , Tieu-Long Phan , Peter F. Stadler , Thomas Gärtner , Sagar Malhotra

Organic reactions are usually assigned to classes containing reactions with similar reagents and mechanisms. Reaction classes facilitate the communication of complex concepts and efficient navigation through chemical reaction space.…

Text mining the relations between chemicals and proteins is an increasingly important task. The CHEMPROT track at BioCreative VI aims to promote the development and evaluation of systems that can automatically detect the chemical-protein…

Computation and Language · Computer Science 2018-02-06 Yifan Peng , Anthony Rios , Ramakanth Kavuluru , Zhiyong Lu

Relation extraction (RE) has been extensively studied due to its importance in real-world applications such as knowledge base construction and question answering. Most of the existing works train the models on either distantly supervised…

Computation and Language · Computer Science 2020-11-25 Woohwan Jung , Kyuseok Shim

Deep neural networks are increasingly employed in high-stakes medical applications, despite their tendency for shortcut learning in the presence of spurious correlations, which can have potentially fatal consequences in practice. Whereas a…

Artificial Intelligence · Computer Science 2025-07-30 Frederik Pahde , Thomas Wiegand , Sebastian Lapuschkin , Wojciech Samek

Large language models can perform well on general natural language tasks, but their effectiveness is still suboptimal for information extraction (IE). Recent works indicate that the main reason lies in the lack of extensive data on IE…

Computation and Language · Computer Science 2024-07-30 Honghao Gui , Shuofei Qiao , Jintian Zhang , Hongbin Ye , Mengshu Sun , Lei Liang , Jeff Z. Pan , Huajun Chen , Ningyu Zhang

The relation extraction (RE) in complex scenarios faces challenges such as diverse relation types and ambiguous relations between entities within a single sentence, leading to the poor performance of pure "text-in, text-out" language models…

Computation and Language · Computer Science 2024-09-04 Yuchen Shi , Guochao Jiang , Tian Qiu , Deqing Yang

Healthcare fraud detection remains a critical challenge due to limited availability of labeled data, constantly evolving fraud tactics, and the high dimensionality of medical records. Traditional supervised methods are challenged by extreme…

Developing accurate models for chemical reactors is often challenging due to the complexity of reaction kinetics and process dynamics. Traditional approaches require retraining models for each new system, limiting generalizability and…

Computational Engineering, Finance, and Science · Computer Science 2025-05-29 Zihao Wang , Zhe Wu

Retrosynthesis is one of the fundamental problems in organic chemistry. The task is to identify reactants that can be used to synthesize a specified product molecule. Recently, computer-aided retrosynthesis is finding renewed interest from…

Machine Learning · Computer Science 2020-01-07 Hanjun Dai , Chengtao Li , Connor W. Coley , Bo Dai , Le Song

Event extraction (EE) is one of the core information extraction tasks, whose purpose is to automatically identify and extract information about incidents and their actors from texts. This may be beneficial to several domains such as…

Machine Learning · Computer Science 2020-10-29 Ali Balali , Masoud Asadpour , Ricardo Campos , Adam Jatowt

A crucial issue of current text generation models is that they often uncontrollably generate factually inconsistent text with respective of their inputs. Limited by the lack of annotated data, existing works in evaluating factual…

Computation and Language · Computer Science 2023-05-30 Wenhao Wu , Wei Li , Xinyan Xiao , Jiachen Liu , Sujian Li , Yajuan Lv

Wrong-labeling problem and long-tail relations severely affect the performance of distantly supervised relation extraction task. Many studies mitigate the effect of wrong-labeling through selective attention mechanism and handle long-tail…

Computation and Language · Computer Science 2022-04-26 Ridong Han , Tao Peng , Jiayu Han , Hai Cui , Lu Liu

Unsupervised relation extraction aims to extract the relationship between entities from natural language sentences without prior information on relational scope or distribution. Existing works either utilize self-supervised schemes to…

Computation and Language · Computer Science 2025-06-19 Shuliang Liu , Xuming Hu , Chenwei Zhang , Shu`ang Li , Lijie Wen , Philip S. Yu

Capabilities of detecting temporal relations between two events can benefit many applications. Most of existing temporal relation classifiers were trained in a supervised manner. Instead, we explore the observation that regular event pairs…

Computation and Language · Computer Science 2017-08-01 Wenlin Yao , Saipravallika Nettyam , Ruihong Huang

Distant supervision has been a widely used method for neural relation extraction for its convenience of automatically labeling datasets. However, existing works on distantly supervised relation extraction suffer from the low quality of test…

Computation and Language · Computer Science 2020-10-20 Pengshuai Li , Xinsong Zhang , Weijia Jia , Wei Zhao

Information extraction (IE) aims to produce structured information from an input text, e.g., Named Entity Recognition and Relation Extraction. Various attempts have been proposed for IE via feature engineering or deep learning. However,…

Computation and Language · Computer Science 2019-12-09 Wenya Wang , Sinno Jialin Pan

The development of deep neural networks has improved representation learning in various domains, including textual, graph structural, and relational triple representations. This development opened the door to new relation extraction beyond…

Computation and Language · Computer Science 2022-12-22 Masaki Asada

The challenging field of scene text detection requires complex data annotation, which is time-consuming and expensive. Techniques, such as weak supervision, can reduce the amount of data needed. In this paper we propose a weak supervision…

Computer Vision and Pattern Recognition · Computer Science 2022-01-14 Emanuel Metzenthin , Christian Bartz , Christoph Meinel

In this paper, we propose Normality-Calibrated Autoencoder (NCAE), which can boost anomaly detection performance on the contaminated datasets without any prior information or explicit abnormal samples in the training phase. The NCAE…

Machine Learning · Computer Science 2021-10-29 Jongmin Yu , Hyeontaek Oh , Minkyung Kim , Junsik Kim
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