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The synthesis of inorganic crystalline materials is essential for modern technology, especially in quantum materials development. However, designing efficient synthesis workflows remains a significant challenge due to the precise…

Large language models(LLMs) containing tens of billions of parameters (or even more) have demonstrated impressive capabilities in various NLP tasks. However, substantial model size poses challenges to training, inference, and deployment so…

Artificial Intelligence · Computer Science 2023-10-11 Yupeng Ji , Yibo Cao , Jiucai Liu

Large language models (LLMs) are prone to generating factually incorrect outputs. Recent work has applied conformal prediction to provide uncertainty estimates and statistical guarantees for the factuality of LLM generations. However,…

Computation and Language · Computer Science 2026-04-16 Aleksandr Rubashevskii , Dzianis Piatrashyn , Preslav Nakov , Maxim Panov

Aligning large language models (LLMs) with human preferences is essential for safe and useful LLMs. Previous works mainly adopt reinforcement learning (RLHF) and direct preference optimization (DPO) with human feedback for alignment.…

Computation and Language · Computer Science 2023-10-03 Tianci Xue , Ziqi Wang , Heng Ji

Large language models (LLMs) have demonstrated rapid progress across a wide array of domains. Owing to the very large number of parameters and training data in LLMs, these models inherently encompass an expansive and comprehensive materials…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , A. S. L. Subrahmanyam Pattamatta , David J. Srolovitz

Classification tasks are typically handled using Machine Learning (ML) models, which lack a balance between accuracy and interpretability. This paper introduces a new approach for classification tasks using Large Language Models (LLMs) in…

Computation and Language · Computer Science 2025-01-03 Praneeth Vadlapati

Predicting mechanical properties in metal additive manufacturing (MAM) is essential for ensuring the performance and reliability of printed parts, as well as their suitability for specific applications. However, conducting experiments to…

Machine Learning · Computer Science 2024-11-01 Parand Akbari , Masoud Zamani , Amir Mostafaei

Anomaly detection in computational workflows is critical for ensuring system reliability and security. However, traditional rule-based methods struggle to detect novel anomalies. This paper leverages large language models (LLMs) for…

Software Engineering · Computer Science 2024-07-26 Hongwei Jin , George Papadimitriou , Krishnan Raghavan , Pawel Zuk , Prasanna Balaprakash , Cong Wang , Anirban Mandal , Ewa Deelman

Industry 4.0 has revolutionized manufacturing by driving digitalization and shifting the paradigm toward additive manufacturing (AM). Fused Deposition Modeling (FDM), a key AM technology, enables the creation of highly customized,…

Computation and Language · Computer Science 2026-01-01 Yayati Jadhav , Peter Pak , Amir Barati Farimani

Large pretrained language models (PLMs) are often domain- or task-adapted via fine-tuning or prompting. Finetuning requires modifying all of the parameters and having enough data to avoid overfitting while prompting requires no training and…

Computation and Language · Computer Science 2022-07-11 Zejiang Hou , Julian Salazar , George Polovets

Automated Program Repair (APR) uses various tools and techniques to help developers achieve functional and error-free code faster. In recent years, Large Language Models (LLMs) have gained popularity as components in APR tool chains because…

Software Engineering · Computer Science 2025-07-29 Roman Macháček , Anastasiia Grishina , Max Hort , Leon Moonen

Large language model (LLM) decoding involves generating a sequence of tokens based on a given context, where each token is predicted one at a time using the model's learned probabilities. The typical autoregressive decoding method requires…

Computation and Language · Computer Science 2024-08-20 Xukun Liu , Bowen Lei , Ruqi Zhang , Dongkuan Xu

As the dependence on computer systems expands across various domains, focusing on personal, industrial, and large-scale applications, there arises a compelling need to enhance their reliability to sustain business operations seamlessly and…

Distributed, Parallel, and Cluster Computing · Computer Science 2024-10-24 Priyanka Mudgal , Bijan Arbab , Swaathi Sampath Kumar

Efficient and accurate prediction of material properties is critical for advancing materials design and applications. The rapid-evolution of large language models (LLMs) presents a new opportunity for material property predictions,…

Materials Science · Physics 2024-11-20 Siyu Liu , Tongqi Wen , Beilin Ye , Zhuoyuan Li , David J. Srolovitz

The use of Large Language Models (LLMs) in hardware design has taken off in recent years, principally through its incorporation in tools that increase chip designer productivity. There has been considerable discussion about the use of LLMs…

Hardware Architecture · Computer Science 2025-05-20 Nicolas Dupuis , Ravi Nair , Shyam Ramji , Sean McClintock , Nishant Chauhan , Priyanka Nagpal , Bart Blaner , Ken Valk , Leon Stok , Ruchir Puri

This study investigates the reliability of code generation by Large Language Models (LLMs), focusing on identifying and analyzing defects in the generated code. Despite the advanced capabilities of LLMs in automating code generation,…

Software Engineering · Computer Science 2024-08-27 Ali Mohammadi Esfahani , Nafiseh Kahani , Samuel A. Ajila

Conventional mechanical design follows an iterative process in which initial concepts are refined through cycles of expert assessment and resource-intensive Finite Element Method (FEM) analysis to meet performance goals. While machine…

Machine Learning · Computer Science 2025-05-02 Yayati Jadhav , Amir Barati Farimani

Designing complex computer-aided design (CAD) models is often time-consuming due to challenges such as computational inefficiency and the difficulty of generating precise models. We propose a novel language-guided framework for industrial…

Artificial Intelligence · Computer Science 2025-05-27 Jianxing Liao , Junyan Xu , Yatao Sun , Maowen Tang , Sicheng He , Jingxian Liao , Shui Yu , Yun Li , Hongguan Xiao

Large Language Models (LLMs) have become a cornerstone in Natural Language Processing (NLP), achieving impressive performance in text generation. Their token-level representations capture rich, human-aligned semantics. However, pooling…

Computation and Language · Computer Science 2025-09-25 Benedikt Roth , Stephan Rappensperger , Tianming Qiu , Hamza Imamović , Julian Wörmann , Hao Shen

Large Language Models (LLMs) are increasingly applied to automate software engineering tasks, including the generation of UML class diagrams from natural language descriptions. While prior work demonstrates that LLMs can produce…

Software Engineering · Computer Science 2026-04-07 Rabia Iftikhar , Andreas Rausch