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As a fundamental task in computational chemistry, retrosynthesis prediction aims to identify a set of reactants to synthesize a target molecule. Existing template-free approaches only consider the graph structures of the target molecule,…

Computation and Language · Computer Science 2024-01-29 Yifeng Liu , Hanwen Xu , Tangqi Fang , Haocheng Xi , Zixuan Liu , Sheng Zhang , Hoifung Poon , Sheng Wang

In this paper, we propose a new method to identify biochemical reaction networks (i.e. both reactions and kinetic parameters) from heterogeneous datasets. Such datasets can contain (a) data from several replicates of an experiment performed…

Systems and Control · Computer Science 2015-09-21 Wei Pan , Ye Yuan , Lennart Ljung , Jorge Goncalves , Guy-Bart Stan

Intelligently extracting and linking complex scientific information from unstructured text is a challenging endeavor particularly for those inexperienced with natural language processing. Here, we present a simple sequence-to-sequence…

Computation and Language · Computer Science 2022-12-13 Alexander Dunn , John Dagdelen , Nicholas Walker , Sanghoon Lee , Andrew S. Rosen , Gerbrand Ceder , Kristin Persson , Anubhav Jain

Document-level event argument extraction (DEAE) is essential for knowledge acquisition, aiming to extract participants of events from documents . In the zero-shot setting, existing methods employ LLMs to generate synthetic data to address…

Computation and Language · Computer Science 2026-03-05 Guangjun Zhang , Hu Zhang , Yazhou Han , Yue Fan , Yuhang Shao , Ru Li , Hongye Tan

Relation Extraction (RE) is a fundamental task in Natural Language Processing, and its document-level variant poses significant challenges, due to complex interactions between entities across sentences. While supervised models have achieved…

Computation and Language · Computer Science 2025-10-08 Robin Armingaud , Romaric Besançon

Information extraction (IE) for visually-rich documents (VRDs) has achieved SOTA performance recently thanks to the adaptation of Transformer-based language models, which shows the great potential of pre-training methods. In this paper, we…

Artificial Intelligence · Computer Science 2021-07-07 Tuan-Anh D. Nguyen , Hieu M. Vu , Nguyen Hong Son , Minh-Tien Nguyen

Weakly-supervised text classification trains a classifier using the label name of each target class as the only supervision, which largely reduces human annotation efforts. Most existing methods first use the label names as static…

Computation and Language · Computer Science 2023-10-23 Yunyi Zhang , Minhao Jiang , Yu Meng , Yu Zhang , Jiawei Han

State-of-the-art information extraction methods are limited by OCR errors. They work well for printed text in form-like documents, but unstructured, handwritten documents still remain a challenge. Adapting existing models to domain-specific…

Computer Vision and Pattern Recognition · Computer Science 2023-06-13 Sujoy Paul , Gagan Madan , Akankshya Mishra , Narayan Hegde , Pradeep Kumar , Gaurav Aggarwal

ROI extraction is an active but challenging task in remote sensing because of the complicated landform, the complex boundaries and the requirement of annotations. Weakly supervised learning (WSL) aims at learning a mapping from input image…

Computer Vision and Pattern Recognition · Computer Science 2023-05-11 Lingfeng He , Mengze Xu , Jie Ma

Language models hold incredible promise for enabling scientific discovery by synthesizing massive research corpora. Many complex scientific research questions have multiple plausible answers, each supported by evidence of varying strength.…

Machine Learning · Computer Science 2025-05-28 Ravi Patel , Angus Brayne , Rogier Hintzen , Daniel Jaroslawicz , Georgiana Neculae , Dane Corneil

Relation extraction (RE) is a standard information extraction task playing a major role in downstream applications such as knowledge discovery and question answering. Although decoder-only large language models are excelling in generative…

Computation and Language · Computer Science 2025-07-28 Yuhang Jiang , Ramakanth Kavuluru

To enhance the interpretability of Reinforcement Learning (RL), we propose Revealing Evolutionary Action Consequence Trajectories (REACT). In contrast to the prevalent practice of validating RL models based on their optimal behavior learned…

Machine Learning · Computer Science 2024-04-05 Philipp Altmann , Céline Davignon , Maximilian Zorn , Fabian Ritz , Claudia Linnhoff-Popien , Thomas Gabor

We describe challenges and advantages unique to coreference resolution in the biomedical domain, and a sieve-based architecture that leverages domain knowledge for both entity and event coreference resolution. Domain-general coreference…

Computation and Language · Computer Science 2016-09-05 Dane Bell , Gus Hahn-Powell , Marco A. Valenzuela-Escárcega , Mihai Surdeanu

This work aims at advancing temporal action detection (TAD) using an encoder-decoder framework with action queries, similar to DETR, which has shown great success in object detection. However, the framework suffers from several problems if…

Computer Vision and Pattern Recognition · Computer Science 2022-07-15 Dingfeng Shi , Yujie Zhong , Qiong Cao , Jing Zhang , Lin Ma , Jia Li , Dacheng Tao

Open Information Extraction (OpenIE) aims to extract structured relational tuples (subject, relation, object) from sentences and plays critical roles for many downstream NLP applications. Existing solutions perform extraction at sentence…

Computation and Language · Computer Science 2021-05-12 Kuicai Dong , Yilin Zhao , Aixin Sun , Jung-Jae Kim , Xiaoli Li

Recent works on fake news detection have shown the efficacy of using emotions as a feature for improved performance. However, the cross-domain impact of emotion-guided features for fake news detection still remains an open problem. In this…

Computation and Language · Computer Science 2022-12-01 Arkajyoti Chakraborty , Inder Khatri , Arjun Choudhry , Pankaj Gupta , Dinesh Kumar Vishwakarma , Mukesh Prasad

Supervised Question Answering systems (QA systems) rely on domain-specific human-labeled data for training. Unsupervised QA systems generate their own question-answer training pairs, typically using secondary knowledge sources to achieve…

Computation and Language · Computer Science 2023-02-06 Dinesh Nagumothu , Bahadorreza Ofoghi , Guangyan Huang , Peter W. Eklund

Retrosynthesis analysis is pivotal yet challenging in drug discovery and organic chemistry. Despite the proliferation of computational tools over the past decade, AI-based systems often fall short in generalizing across diverse reaction…

Machine Learning · Computer Science 2024-08-21 Yifei Yang , Runhan Shi , Zuchao Li , Shu Jiang , Bao-Liang Lu , Yang Yang , Hai Zhao

Event argument extraction (EAE) is an important task for information extraction to discover specific argument roles. In this study, we cast EAE as a question-based cloze task and empirically analyze fixed discrete token template…

Computation and Language · Computer Science 2023-01-26 Hongbin Ye , Ningyu Zhang , Zhen Bi , Shumin Deng , Chuanqi Tan , Hui Chen , Fei Huang , Huajun Chen

Knowledge-based visual question answering (VQA) requires answering questions with external knowledge in addition to the content of images. One dataset that is mostly used in evaluating knowledge-based VQA is OK-VQA, but it lacks a gold…

Computation and Language · Computer Science 2021-09-10 Man Luo , Yankai Zeng , Pratyay Banerjee , Chitta Baral