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Various template-based and template-free approaches have been proposed for single-step retrosynthesis prediction in recent years. While these approaches demonstrate strong performance from a data-driven metrics standpoint, many model…

Machine Learning · Computer Science 2023-08-15 Kevin Zhang , Vipul Mann , Venkat Venkatasubramanian

Large Language Models (LLMs) have demonstrated substantial progress in biomedical and clinical applications, motivating rigorous evaluation of their ability to answer nuanced, evidence-based questions. We curate a multi-source benchmark…

Computation and Language · Computer Science 2025-09-16 Can Wang , Yiqun Chen

The development of state-of-the-art generative large language models (LLMs) disproportionately relies on English-centric tokenizers, vocabulary and pre-training data. Despite the fact that some LLMs have multilingual capabilities, recent…

Computation and Language · Computer Science 2024-09-27 Atsuki Yamaguchi , Aline Villavicencio , Nikolaos Aletras

Reasoning and inference are central to human and artificial intelligence. Modeling inference in human language is very challenging. With the availability of large annotated data (Bowman et al., 2015), it has recently become feasible to…

Computation and Language · Computer Science 2020-03-04 Qian Chen , Xiaodan Zhu , Zhenhua Ling , Si Wei , Hui Jiang , Diana Inkpen

Building accurate language models that capture meaningful long-term dependencies is a core challenge in natural language processing. Towards this end, we present a calibration-based approach to measure long-term discrepancies between a…

Computation and Language · Computer Science 2019-06-14 Mark Braverman , Xinyi Chen , Sham M. Kakade , Karthik Narasimhan , Cyril Zhang , Yi Zhang

This study investigates whether large language models, specifically GPT4, can match human capabilities in analogical reasoning within strategic decision making contexts. Using a novel experimental design involving source to target matching,…

Artificial Intelligence · Computer Science 2025-05-02 Phanish Puranam , Prothit Sen , Maciej Workiewicz

Large Language Models (LLMs) have seen great advance in both academia and industry, and their popularity results in numerous open-source frameworks and techniques in accelerating LLM pre-training, fine-tuning, and inference. Training and…

Performance · Computer Science 2023-12-04 Longteng Zhang , Xiang Liu , Zeyu Li , Xinglin Pan , Peijie Dong , Ruibo Fan , Rui Guo , Xin Wang , Qiong Luo , Shaohuai Shi , Xiaowen Chu

Tracking how data is mentioned and used in research papers provides critical insights for improving data discoverability, quality, and production. However, manually identifying and classifying dataset mentions across vast academic…

Computation and Language · Computer Science 2025-02-17 Aivin V. Solatorio , Rafael Macalaba , James Liounis

Large language models (LLMs) such as generative pretrained transformers (GPTs) have shown potential for various commercial applications, but their applicability for materials design remains underexplored. In this article, we introduce…

Materials Science · Physics 2024-07-02 Kamal Choudhary

This paper introduces PRIMETIME, a synthetic generator that supports both benchmarking and fine-tuning of two primitive operations underlying temporal reasoning in Large Language Models (LLMs): parsing and arithmetic on datetimes. Existing…

Neural and Evolutionary Computing · Computer Science 2026-05-08 Edward Gaere , Florian Wangenheim

Large Language Models (LLMs) have been applied to various hardware design tasks, including Verilog code generation, EDA tool scripting, and RTL bug fixing. Despite this extensive exploration, LLMs are yet to be used for the task of…

Hardware Architecture · Computer Science 2025-01-28 Manar Abdelatty , Jingxiao Ma , Sherief Reda

Large language models (LLMs) achieve high accuracy on many reasoning benchmarks but remain brittle under structural perturbations of rule-based systems. We introduce a diagnostic framework with four stress tests -- redundant vs. essential…

Artificial Intelligence · Computer Science 2026-05-26 Qiming Bao , Xiaoxuan Fu , Michael Witbrock

The high inference cost of Large Language Models (LLMs) poses challenges, especially for tasks requiring lengthy outputs. However, natural language often contains redundancy, which presents an opportunity for optimization. We have observed…

Computation and Language · Computer Science 2025-11-25 Alfredo Garrachón Ruiz , Tomás de la Rosa , Daniel Borrajo

This study explores the effectiveness of Large Language Models in meal planning, focusing on their ability to identify and decompose compound ingredients. We evaluated three models-GPT-4o, Llama-3 (70b), and Mixtral (8x7b)-to assess their…

Computation and Language · Computer Science 2024-11-12 Leon Kopitar , Leon Bedrac , Larissa J Strath , Jiang Bian , Gregor Stiglic

Large language models (LLMs), especially generative pre-trained transformers (GPTs), have recently demonstrated outstanding ability in information comprehension and problem-solving. This has motivated many studies in applying LLMs to…

Machine Learning · Computer Science 2024-05-21 Han Zhang , Akram Bin Sediq , Ali Afana , Melike Erol-Kantarci

Large language models (LLMs) have revolutionized Natural Language Processing (NLP), but their size creates computational bottlenecks. We introduce a novel approach to create accurate, sparse foundational versions of performant LLMs that…

Fine-tuning pretrained language models (PLMs) on downstream tasks has become common practice in natural language processing. However, most of the PLMs are vulnerable, e.g., they are brittle under adversarial attacks or imbalanced data,…

Computation and Language · Computer Science 2022-05-03 Shoujie Tong , Qingxiu Dong , Damai Dai , Yifan song , Tianyu Liu , Baobao Chang , Zhifang Sui

This study presents the first examination of the ability of Large Language Models (LLMs) to follow reasoning strategies that are used to guide Automated Theorem Provers (ATPs). We evaluate the performance of GPT4, GPT3.5 Turbo and Google's…

Computation and Language · Computer Science 2024-07-31 Lachlan McGinness , Peter Baumgartner

To produce accurate predictions, language models (LMs) must balance between generalization and memorization. Yet, little is known about the mechanism by which transformer LMs employ their memorization capacity. When does a model decide to…

Computation and Language · Computer Science 2023-02-14 Adi Haviv , Ido Cohen , Jacob Gidron , Roei Schuster , Yoav Goldberg , Mor Geva

As large language models (LLMs) are applied to more use cases, creating high quality, task-specific datasets for fine-tuning becomes a bottleneck for model improvement. Using high quality human data has been the most common approach to…

Computation and Language · Computer Science 2024-10-31 Yung-Chieh Chan , George Pu , Apaar Shanker , Parth Suresh , Penn Jenks , John Heyer , Sam Denton
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