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Conventional predictive modeling of parametric relationships in manufacturing processes is limited by the subjectivity of human expertise and intuition on the one hand and by the cost and time of experimental data generation on the other…

Computation and Language · Computer Science 2025-06-26 Kiarash Naghavi Khanghah , Anandkumar Patel , Rajiv Malhotra , Hongyi Xu

Predicting the chemical resistance of polymers to organic solvents is a longstanding challenge in materials science, with significant implications for sustainable materials design and industrial applications. Here, we address the need for…

Business Process Management (BPM) aims to improve organizational activities and their outcomes by managing the underlying processes. To achieve this, it is often necessary to consider information from various sources, including unstructured…

Computation and Language · Computer Science 2023-07-20 Michael Grohs , Luka Abb , Nourhan Elsayed , Jana-Rebecca Rehse

In many scientific fields, large language models (LLMs) have revolutionized the way text and other modalities of data (e.g., molecules and proteins) are handled, achieving superior performance in various applications and augmenting the…

Computation and Language · Computer Science 2024-10-01 Yu Zhang , Xiusi Chen , Bowen Jin , Sheng Wang , Shuiwang Ji , Wei Wang , Jiawei Han

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

Large Language Models (LLMs) have been shown to achieve breakthrough performance on complex logical reasoning tasks. Nevertheless, most existing research focuses on employing formal language to guide LLMs to derive reliable reasoning paths,…

Computation and Language · Computer Science 2025-05-23 Jin Jiang , Jianing Wang , Yuchen Yan , Yang Liu , Jianhua Zhu , Mengdi Zhang , Xunliang Cai , Liangcai Gao

Recent large language models (LLMs) have demonstrated promising capabilities in modeling real-world knowledge and enhancing knowledge-based generation tasks. In this paper, we further explore the potential of using LLMs to aid in the design…

Robotics · Computer Science 2024-11-04 Weicheng Ma , Luyang Zhao , Chun-Yi She , Yitao Jiang , Alan Sun , Bo Zhu , Devin Balkcom , Soroush Vosoughi

The recent proliferation of research into transformer based natural language processing has led to a number of studies which attempt to detect the presence of human-like cognitive behavior in the models. We contend that, as is true of human…

Computation and Language · Computer Science 2024-04-01 Jesse Roberts , Kyle Moore , Drew Wilenzick , Doug Fisher

Large Language Model (LLM)-based systems present new opportunities for autonomous health monitoring in sensor-rich industrial environments. This study explores the potential of LLMs to detect and classify faults directly from sensor data,…

Artificial Intelligence · Computer Science 2025-09-30 Xian Yeow Lee , Lasitha Vidyaratne , Ahmed Farahat , Chetan Gupta

The number of Language Models (LMs) dedicated to processing scientific text is on the rise. Keeping pace with the rapid growth of scientific LMs (SciLMs) has become a daunting task for researchers. To date, no comprehensive surveys on…

Computation and Language · Computer Science 2024-02-01 Xanh Ho , Anh Khoa Duong Nguyen , An Tuan Dao , Junfeng Jiang , Yuki Chida , Kaito Sugimoto , Huy Quoc To , Florian Boudin , Akiko Aizawa

Over the past decade, extensive research efforts have been dedicated to the extraction of information from textual process descriptions. Despite the remarkable progress witnessed in natural language processing (NLP), information extraction…

Computation and Language · Computer Science 2024-07-29 Julian Neuberger , Lars Ackermann , Han van der Aa , Stefan Jablonski

Recently, the remarkable capabilities of large language models (LLMs) have been illustrated across a variety of research domains such as natural language processing, computer vision, and molecular modeling. We extend this paradigm by…

Machine Learning · Computer Science 2023-09-04 Hongshuo Huang , Rishikesh Magar , Changwen Xu , Amir Barati Farimani

A major bottleneck in developing sustainable processes and materials is a lack of property data. Recently, machine learning approaches have vastly improved previous methods for predicting molecular properties. However, these machine…

Chemical Physics · Physics 2023-09-25 Benedikt Winter , Philipp Rehner , Timm Esper , Johannes Schilling , André Bardow

Natural Language Processing (NLP) is witnessing a remarkable breakthrough driven by the success of Large Language Models (LLMs). LLMs have gained significant attention across academia and industry for their versatile applications in text…

Computation and Language · Computer Science 2024-04-16 Taojun Hu , Xiao-Hua Zhou

Pretraining language models directly on web-scale corpora is the de facto paradigm. We study an alternative where the model is initially exposed to abstract structured data to ease the subsequent acquisition of rich semantic knowledge, much…

Computation and Language · Computer Science 2026-05-29 Liangze Jiang , Zachary Shinnick , Anton van den Hengel , Hemanth Saratchandran , Damien Teney

Chemists in search of structure-property relationships face great challenges due to limited high quality, concordant datasets. Machine learning (ML) has significantly advanced predictive capabilities in chemical sciences, but these modern…

Machine Learning · Computer Science 2025-09-18 Yulia Pimonova , Michael G. Taylor , Alice Allen , Ping Yang , Nicholas Lubbers

Multimodal Large Language Models (MLLMs) are set to transform how machines process and generate human-like responses by integrating diverse modalities such as text, images, and code. Yet, effectively harnessing their capabilities hinges on…

Artificial Intelligence · Computer Science 2025-04-15 Anwesha Mohanty , Venkatesh Balavadhani Parthasarathy , Arsalan Shahid

We conceptualize the process of understanding as information compression, and propose a method for ranking large language models (LLMs) based on lossless data compression. We demonstrate the equivalence of compression length under…

Artificial Intelligence · Computer Science 2024-06-21 Peijia Guo , Ziguang Li , Haibo Hu , Chao Huang , Ming Li , Rui Zhang

Protein language models (pLMs) have recently gained significant attention for their ability to uncover relationships between sequence, structure, and function from evolutionary statistics, thereby accelerating therapeutic drug discovery.…

Machine Learning · Computer Science 2026-03-04 Darshan Patil , Pranshu Malviya , Mathieu Reymond , Quentin Fournier , Sarath Chandar

Machine learning is transforming materials discovery by providing rapid predictions of material properties, which enables large-scale screening for target materials. However, such models require training data. While automated data…