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Training machine learning (ML) models typically involves expensive iterative optimization. Once the model's final parameters are released, there is currently no mechanism for the entity which trained the model to prove that these parameters…

Newcomers to ACL2 are sometimes surprised that ACL2 rejects formulas that they believe should be theorems, such as (REVERSE (REVERSE X)) = X. Experienced ACL2 users will recognize that the theorem only holds for intended values of X, and…

Logic in Computer Science · Computer Science 2023-11-16 Ruben Gamboa , Panagiotis Manolios , Eric Smith , Kyle Thompson

Despite the many advances of Large Language Models (LLMs) and their unprecedented rapid evolution, their impact and integration into every facet of our daily lives is limited due to various reasons. One critical factor hindering their…

Computation and Language · Computer Science 2024-08-20 Yakir Yehuda , Itzik Malkiel , Oren Barkan , Jonathan Weill , Royi Ronen , Noam Koenigstein

Advances in large language models (LLMs) have spurred research into enhancing their reasoning capabilities, particularly in math-rich STEM (Science, Technology, Engineering, and Mathematics) documents. While LLMs can generate equations or…

Computation and Language · Computer Science 2025-06-03 Jiaru Zou , Qing Wang , Pratyush Thakur , Nickvash Kani

Machine learning can provide deep insights into data, allowing machines to make high-quality predictions and having been widely used in real-world applications, such as text mining, visual classification, and recommender systems. However,…

Machine Learning · Computer Science 2020-08-11 Meng Wang , Weijie Fu , Xiangnan He , Shijie Hao , Xindong Wu

Molecular representation learning is pivotal for various molecular property prediction tasks related to drug discovery. Robust and accurate benchmarks are essential for refining and validating current methods. Existing molecular property…

Chemical Physics · Physics 2024-06-27 Shikun Feng , Jiaxin Zheng , Yinjun Jia , Yanwen Huang , Fengfeng Zhou , Wei-Ying Ma , Yanyan Lan

Distilling underlying principles from data has historically driven scientific breakthroughs. However, conventional data-driven machine learning often produces complex models that lack interpretability and generalization due to insufficient…

Materials Science · Physics 2025-07-28 Zhilong Song , Qionghua Zhou , Chunjin Ren , Chongyi Ling , Minggang Ju , Jinlan Wang

Cross-organizational collaboration in Model-Based Systems Engineering (MBSE) faces many challenges in achieving semantic alignment across independently developed system models. SysML v2 introduces enhanced structural modularity and formal…

Software Engineering · Computer Science 2026-02-13 Zirui Li , Stephan Husung , Haoze Wang

Automatic and efficient verification of multiplier designs, especially through a provably correct method, is a difficult problem. We show how to utilize a theorem prover, ACL2, to implement an efficient rewriting algorithm for multiplier…

Logic in Computer Science · Computer Science 2022-05-25 Mertcan Temel

AI developers are releasing large language models (LLMs) under a variety of different licenses. Many of these licenses restrict the ways in which the models or their outputs may be used. This raises the question how license violations may…

Machine Learning · Computer Science 2025-05-20 Yun-Yun Tsai , Chuan Guo , Junfeng Yang , Laurens van der Maaten

Large language models (LLMs) have shown impressive capabilities across a wide range of language tasks. However, their reasoning process is primarily guided by statistical patterns in training data, which limits their ability to handle novel…

Artificial Intelligence · Computer Science 2025-08-21 Hong Su

Can we leverage LLMs to model the process of discovering novel language model (LM) architectures? Inspired by real research, we propose a multi-agent LLM approach that simulates the conventional stages of research, from ideation and…

Artificial Intelligence · Computer Science 2025-06-26 Junyan Cheng , Peter Clark , Kyle Richardson

This paper introduces a comprehensive system for detecting hallucinations in large language model (LLM) outputs in enterprise settings. We present a novel taxonomy of LLM responses specific to hallucination in enterprise applications,…

Computation and Language · Computer Science 2025-04-10 Bibek Paudel , Alexander Lyzhov , Preetam Joshi , Puneet Anand

The emergence of in-context learning (ICL) enables large pre-trained language models (PLMs) to make predictions for unseen inputs without updating parameters. Despite its potential, ICL's effectiveness heavily relies on the quality,…

Machine Learning · Computer Science 2024-07-02 Xiaoling Zhou , Wei Ye , Yidong Wang , Chaoya Jiang , Zhemg Lee , Rui Xie , Shikun Zhang

Large language models (LLMs) are increasingly used to simulate human behavior, but common practices to use LLM-generated data are inefficient. Treating an LLM's output ("model choice") as a single data point underutilizes the information…

Artificial Intelligence · Computer Science 2025-12-30 Hongshen Sun , Juanjuan Zhang

Anomaly detection is the task of detecting data which differs from the normal behaviour of a system in a given context. In order to approach this problem, data-driven models can be learned to predict current or future observations.…

Machine Learning · Computer Science 2020-10-30 Benedikt Eiteneuer , Oliver Niggemann

Large language models (LLMs) are introducing a paradigm shift in molecular discovery by enabling text-guided interaction with chemical spaces through natural language, symbolic notations, with emerging extensions to incorporate multi-modal…

Machine Learning · Computer Science 2025-05-23 Ziqing Wang , Kexin Zhang , Zihan Zhao , Yibo Wen , Abhishek Pandey , Han Liu , Kaize Ding

Large Language Models (LLMs) suffer from critical reasoning gaps, including a tendency to hallucinate and poor accuracy in classifying logical fallacies. This limitation stems from their default System 1 processing, which is fast and…

Artificial Intelligence · Computer Science 2025-10-14 Olivia Peiyu Wang , Tashvi Bansal , Ryan Bai , Emily M. Chui , Leilani H. Gilpin

Machine learning (ML) holds great promise for clinical applications but is often hindered by limited access to high-quality data due to privacy concerns, high costs, and long timelines associated with clinical trials. While large language…

Computation and Language · Computer Science 2026-03-27 Zerui Xu , Fang Wu , Yingzhou Lu , Yuanyuan Zhang , Yue Zhao

Causal discovery seeks to uncover causal relations from data, typically represented as causal graphs, and is essential for predicting the effects of interventions. While expert knowledge is required to construct principled causal graphs,…

Artificial Intelligence · Computer Science 2026-02-19 Zihao Li , Fabrizio Russo