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In this paper, we introduce ChemicalX, a PyTorch-based deep learning library designed for providing a range of state of the art models to solve the drug pair scoring task. The primary objective of the library is to make deep drug pair…

The metaphor studies community has developed numerous valuable labelled corpora in various languages over the years. Many of these resources are not only unknown to the NLP community, but are also often not easily shared among the…

Computation and Language · Computer Science 2025-03-11 Joanne Boisson , Arif Mehmood , Jose Camacho-Collados

Twitter is a microblogging service for sending short, public text messages (tweets) that has recently received more attention in scientific comunity. In the works of Sasaki et al. (2010) and Earle et al., (2011) the authors explored the…

Computation and Language · Computer Science 2023-04-18 José Augusto Proença Maia Devienne

Large Language Models (LLMs) have recently demonstrated remarkable performance in various Natural Language Processing (NLP) applications, such as sentiment analysis, content generation, and personalized recommendations. Despite their…

Computation and Language · Computer Science 2024-12-10 Mahaman Sanoussi Yahaya Alassan , Jessica López Espejel , Merieme Bouhandi , Walid Dahhane , El Hassane Ettifouri

The exponential increase in scientific literature and online information necessitates efficient methods for extracting knowledge from textual data. Natural language processing (NLP) plays a crucial role in addressing this challenge,…

Computation and Language · Computer Science 2025-10-22 Zhyar Rzgar K. Rostam , Gábor Kertész

Natural Language Processing (NLP) is revolutionising the way both professionals and laypersons operate in the legal field. The considerable potential for NLP in the legal sector, especially in developing computational assistance tools for…

Computation and Language · Computer Science 2025-12-12 Farid Ariai , Joel Mackenzie , Gianluca Demartini

We propose a unified neural network architecture and learning algorithm that can be applied to various natural language processing tasks including: part-of-speech tagging, chunking, named entity recognition, and semantic role labeling. This…

Machine Learning · Computer Science 2011-03-03 Ronan Collobert , Jason Weston , Leon Bottou , Michael Karlen , Koray Kavukcuoglu , Pavel Kuksa

Natural Language Processing (NLP), a cornerstone field within artificial intelligence, has been increasingly utilized in the field of materials science literature. Our study conducts a reproducibility analysis of two pioneering works within…

Chemical Physics · Physics 2023-08-01 Xiangyun Lei , Edward Kim , Viktoriia Baibakova , Shijing Sun

Deep learning has significantly accelerated drug discovery, with 'chemical language' processing (CLP) emerging as a prominent approach. CLP learns from molecular string representations (e.g., Simplified Molecular Input Line Entry Systems…

Biomolecules · Quantitative Biology 2025-01-13 Rıza Özçelik , Francesca Grisoni

Computer simulation has become one of the most important tools in scientific research in many disciplines. Benefiting from the dynamical trajectories regulated by versatile interatomic interactions, various material properties can be…

Materials Science · Physics 2024-11-28 Y. -C. Hu , J. Tian

Neural networks are increasingly used to support decision-making. To verify their reliability and adaptability, researchers and practitioners have proposed a variety of tools and methods for tasks such as NN code verification, refactoring,…

Machine Learning · Computer Science 2026-02-05 Nadia Daoudi , Jordi Cabot

We present lambeq, the first high-level Python library for Quantum Natural Language Processing (QNLP). The open-source toolkit offers a detailed hierarchy of modules and classes implementing all stages of a pipeline for converting sentences…

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…

Machine Learning · Statistics 2018-08-16 Garrett B. Goh , Charles Siegel , Abhinav Vishnu , Nathan O. Hodas

Deep Learning has been shown to learn efficient representations for structured data such as image, text or audio. In this chapter, we present neural network architectures that are able to learn efficient representations of molecules and…

Computational Physics · Physics 2018-12-13 Kristof T. Schütt , Alexandre Tkatchenko , Klaus-Robert Müller

This study utilizes machine learning algorithms to analyze and organize knowledge in the field of algorithmic trading. By filtering a dataset of 136 million research papers, we identified 14,342 relevant articles published between 1956 and…

Statistical Finance · Quantitative Finance 2024-11-11 Stanisław Łaniewski , Robert Ślepaczuk

We introduce rLLM (relationLLM), a PyTorch library designed for Relational Table Learning (RTL) with Large Language Models (LLMs). The core idea is to decompose state-of-the-art Graph Neural Networks, LLMs, and Table Neural Networks into…

Artificial Intelligence · Computer Science 2025-11-13 Weichen Li , Xiaotong Huang , Jianwu Zheng , Zheng Wang , Chaokun Wang , Li Pan , Jianhua Li

Deep neural networks are increasingly used in natural language processing (NLP) models. However, the need to interpret and explain the results from complex algorithms are limiting their widespread adoption in regulated industries such as…

Computation and Language · Computer Science 2021-07-12 Wei Zhao , Tarun Joshi , Vijayan N. Nair , Agus Sudjianto

Natural Language Processing (NLP) and especially natural language text analysis have seen great advances in recent times. Usage of deep learning in text processing has revolutionized the techniques for text processing and achieved…

Information Retrieval · Computer Science 2020-07-07 Ramchandra Joshi , Purvi Goel , Raviraj Joshi

Machine learning (ML) research and application often involve time-consuming steps such as model architecture prototyping, feature selection, and dataset preparation. To support these tasks, we introduce the Deep Fast Machine Learning Utils…

Machine Learning · Computer Science 2024-09-17 Fabi Prezja

The development of materials science is undergoing a shift from empirical approaches to data-driven and algorithm-oriented research paradigm. The state-of-the-art platforms are confined to inorganic crystals, with limited chemical space,…

Materials Science · Physics 2025-07-08 Jifeng Wang , Jiazhe Ju , Ying Wang