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Molecular property prediction has gained significant attention due to its transformative potential in multiple scientific disciplines. Conventionally, a molecule graph can be represented either as a graph-structured data or a SMILES text.…

Machine Learning · Computer Science 2023-07-17 Chen Qian , Huayi Tang , Zhirui Yang , Hong Liang , Yong Liu

Natural Language Processing (NLP) has become a cornerstone in many critical sectors, including healthcare, finance, and customer relationship management. This is especially true with the development and use of advanced models such as…

Computation and Language · Computer Science 2025-06-06 Hadi Mohammadi , Ayoub Bagheri , Anastasia Giachanou , Daniel L. Oberski

While text mining and NLP research has been established for decades, there remain gaps in the literature that reports the use of these techniques in building real-world applications. For example, they typically look at single and sometimes…

Computation and Language · Computer Science 2023-01-10 Ziqi Zhang , Tomas Jasaitis , Richard Freeman , Rowida Alfrjani , Adam Funk

This paper highlights the significance of natural language processing (NLP) within artificial intelligence, underscoring its pivotal role in comprehending and modeling human language. Recent advancements in NLP, particularly in…

Computation and Language · Computer Science 2024-10-01 Vlad-Cristian Matei , Iulian-Marius Tăiatu , Răzvan-Alexandru Smădu , Dumitru-Clementin Cercel

This paper explores the critical but often overlooked role of non-verbal cues, including co-speech gestures and facial expressions, in human communication and their implications for Natural Language Processing (NLP). We argue that…

Audio and Speech Processing · Electrical Eng. & Systems 2023-09-14 Amit Moryossef

Generative Large Language Models (LLMs) hold significant promise in healthcare, demonstrating capabilities such as passing medical licensing exams and providing clinical knowledge. However, their current use as information retrieval tools…

The unstructured nature of clinical notes within electronic health records often conceals vital patient-related information, making it challenging to access or interpret. To uncover this hidden information, specialized Natural Language…

Deep neural-network-based language models (LMs) are increasingly applied to large-scale protein sequence data to predict protein function. However, being largely black-box models and thus challenging to interpret, current protein LM…

Quantitative Methods · Quantitative Biology 2024-08-06 Mai Ha Vu , Rahmad Akbar , Philippe A. Robert , Bartlomiej Swiatczak , Victor Greiff , Geir Kjetil Sandve , Dag Trygve Truslew Haug

Standard natural language processing (NLP) pipelines operate on symbolic representations of language, which typically consist of sequences of discrete tokens. However, creating an analogous representation for ancient logographic writing…

Computation and Language · Computer Science 2026-01-29 Danlu Chen , Freda Shi , Aditi Agarwal , Jacobo Myerston , Taylor Berg-Kirkpatrick

Recently, the emergence of pre-trained models (PTMs) has brought natural language processing (NLP) to a new era. In this survey, we provide a comprehensive review of PTMs for NLP. We first briefly introduce language representation learning…

Computation and Language · Computer Science 2021-06-24 Xipeng Qiu , Tianxiang Sun , Yige Xu , Yunfan Shao , Ning Dai , Xuanjing Huang

The recent advances in neural language models have also been successfully applied to the field of chemistry, offering generative solutions for classical problems in molecular design and synthesis planning. These new methods have the…

Machine Learning · Computer Science 2023-05-19 Dimitrios Christofidellis , Giorgio Giannone , Jannis Born , Ole Winther , Teodoro Laino , Matteo Manica

Although natural language is the default medium for Large Language Models (LLMs), its limited expressive capacity creates a profound bottleneck for complex problem-solving. While recent advancements in AI have relied heavily on scaling,…

Artificial Intelligence · Computer Science 2026-05-13 Zhiqin Yang , Yuhan Liu , Jingwen Fu , Pei Fu , Bo Han , Masashi Sugiyama , Nanning Zheng

Code-Switching, a common phenomenon in written text and conversation, has been studied over decades by the natural language processing (NLP) research community. Initially, code-switching is intensively explored by leveraging linguistic…

Computation and Language · Computer Science 2023-05-26 Genta Indra Winata , Alham Fikri Aji , Zheng-Xin Yong , Thamar Solorio

Scientific literature searches are often exploratory, whereby users are not yet familiar with a particular field or concept but are interested in learning more about it. However, existing systems for scientific literature search are…

Computation and Language · Computer Science 2024-07-08 Tim Schopf , Florian Matthes

Extracting structured medical insights from unstructured clinical text using Natural Language Processing (NLP) remains an open challenge in healthcare, particularly in non-English contexts where resources are scarce. This study presents a…

Artificial Intelligence · Computer Science 2025-11-21 Paulina Tworek , Miłosz Bargieł , Yousef Khan , Tomasz Pełech-Pilichowski , Marek Mikołajczyk , Roman Lewandowski , Jose Sousa

Millions of unsolicited medical inquiries are received by pharmaceutical companies every year. It has been hypothesized that these inquiries represent a treasure trove of information, potentially giving insight into matters regarding…

In this paper, we review recent developments and the role of Graph Neural Networks (GNNs) in computational drug discovery, including molecule generation, molecular property prediction, and drug-drug interaction prediction. By summarizing…

Machine Learning · Computer Science 2025-06-03 Zhengyu Fang , Xiaoge Zhang , Anyin Zhao , Xiao Li , Huiyuan Chen , Jing Li

Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed…

Machine Learning · Statistics 2024-12-23 James Requeima , John Bronskill , Dami Choi , Richard E. Turner , David Duvenaud

Reinforcement learning (RL) has emerged as a powerful approach for tackling complex medical decision-making problems such as treatment planning, personalized medicine, and optimizing the scheduling of surgeries and appointments. It has…

Computation and Language · Computer Science 2023-10-31 Ying Liu , Haozhu Wang , Huixue Zhou , Mingchen Li , Yu Hou , Sicheng Zhou , Fang Wang , Rama Hoetzlein , Rui Zhang

Natural language processing (NLP) technologies are rapidly reshaping how language is created, processed, and analyzed by humans. With current and potential applications in hiring, law, healthcare, and other areas that impact people's lives,…

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