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To relieve the pain of manually selecting machine learning algorithms and tuning hyperparameters, automated machine learning (AutoML) methods have been developed to automatically search for good models. Due to the huge model search space,…

Machine Learning · Computer Science 2020-11-23 Qianwen Wang , Yao Ming , Zhihua Jin , Qiaomu Shen , Dongyu Liu , Micah J. Smith , Kalyan Veeramachaneni , Huamin Qu

Density functional theory (DFT) and machine learning potentials (MLPs) are essential for predicting and understanding materials properties, yet preparing, executing, and analyzing these simulations typically requires extensive scripting,…

Computational Physics · Physics 2026-01-08 Guanghen Liu , Songge Yang , Yu Zhong

This research-to-practice work-in-progress (WIP) paper presents an AI-enabled smart tutor designed to provide homework assessment and feedback for students in an undergraduate circuit analysis course. We detail the tutor's design philosophy…

Computers and Society · Computer Science 2025-06-11 Liangliang Chen , Huiru Xie , Jacqueline Rohde , Ying Zhang

Scaling inference-time computation has substantially improved the reasoning capabilities of language models. However, existing methods have significant limitations: serialized chain-of-thought approaches generate overly long outputs,…

Artificial Intelligence · Computer Science 2025-08-19 Jiayi Pan , Xiuyu Li , Long Lian , Charlie Snell , Yifei Zhou , Adam Yala , Trevor Darrell , Kurt Keutzer , Alane Suhr

Large language model (LLM) agents have demonstrated impressive capabilities in utilizing external tools and knowledge to boost accuracy and reduce hallucinations. However, developing prompting techniques that enable LLM agents to…

In runtime verification, manually formalizing a specification for monitoring system executions is a tedious and error-prone process. To address this issue, we consider the problem of automatically synthesizing formal specifications from…

Artificial Intelligence · Computer Science 2023-10-27 Ritam Raha , Rajarshi Roy , Nathanael Fijalkow , Daniel Neider , Guillermo A. Perez

One of the grand challenges in modern theoretical chemistry is designing and implementing approximations that expedite ab initio methods without loss of accuracy. Machine learning (ML), in particular neural networks, are emerging as a…

Chemical Physics · Physics 2018-01-10 Justin S. Smith , Olexandr Isayev , Adrian E. Roitberg

Recent studies have proven that the training of neural machine translation (NMT) can be facilitated by mimicking the learning process of humans. Nevertheless, achievements of such kind of curriculum learning rely on the quality of…

Computation and Language · Computer Science 2022-10-20 Yu Wan , Baosong Yang , Derek F. Wong , Yikai Zhou , Lidia S. Chao , Haibo Zhang , Boxing Chen

Considerable progress has been made in the recent literature studies to tackle the Algorithms Selection and Parametrization (ASP) problem, which is diversified in multiple meta-learning setups. Yet there is a lack of surveys and comparative…

Machine Learning · Computer Science 2025-04-09 Moncef Garouani

Multi-level intermediate representations (MLIR) show great promise for reducing the cost of building domain-specific compilers by providing a reusable and extensible compiler infrastructure. This work presents TPU-MLIR, an end-to-end…

Programming Languages · Computer Science 2023-02-10 Pengchao Hu , Man Lu , Lei Wang , Guoyue Jiang

In this paper, we report on Qaviar, an experimental automated evaluation system for question answering applications. The goal of our research was to find an automatically calculated measure that correlates well with human judges' assessment…

Computation and Language · Computer Science 2007-05-23 Eric Breck , John D. Burger , Lisa Ferro , Lynette Hirschman , David House , Marc Light , Inderjeet Mani

The rapid development of pretrained Machine Learning Interatomic Potentials (MLIPs) that cover a wide range of molecular species has made it challenging to select the best model for a given application. We benchmark 15 pretrained MLIPs,…

Chemical Physics · Physics 2026-04-22 Peter Eastman , Evan Pretti , Thomas E. Markland

This paper describes a method for accelerating large scale Artificial Neural Networks (ANN) training using multi-GPUs by reducing the forward and backward passes to matrix multiplication. We propose an out-of-core multi-GPU matrix…

Distributed, Parallel, and Cluster Computing · Computer Science 2015-11-16 Linnan Wang , Wei Wu , Jianxiong Xiao , Yang Yi

In recent years, a new kind of accelerated hardware has gained popularity in the Artificial Intelligence (AI) and Machine Learning (ML) communities which enables extremely high-performance tensor contractions in reduced precision for deep…

Computational Physics · Physics 2024-05-01 Adela Habib , Joshua Finkelstein , Anders M. N. Niklasson

Autoregressive (AR) Large Language Models (LLMs) have demonstrated significant success across numerous tasks. However, the AR modeling paradigm presents certain limitations; for instance, contemporary autoregressive LLMs are trained to…

Machine Learning · Computer Science 2025-02-10 Justin Deschenaux , Caglar Gulcehre

A vast amount of textual data is added to the internet daily, making utilization and interpretation of such data difficult and cumbersome. As a result, automatic text summarization is crucial for extracting relevant information, saving…

Computation and Language · Computer Science 2024-10-10 Naman Chhibbar , Jugal Kalita

Inventing targeted proof search strategies for specific problem sets is a difficult task. State-of-the-art automated theorem provers (ATPs) such as E allow a large number of user-specified proof search strategies described in a rich domain…

Logic in Computer Science · Computer Science 2017-01-25 Jan Jakubuv , Josef Urban

Power ISA(TM) Version 3.1 has introduced a new family of matrix math instructions, collectively known as the Matrix-Multiply Assist (MMA) facility. The instructions in this facility implement numerical linear algebra operations on small…

Simultaneous Machine Translation (SiMT) requires high-quality translations under strict real-time constraints, which traditional policies with only READ/WRITE actions cannot fully address. We extend the action space of SiMT with four…

Computation and Language · Computer Science 2026-01-19 Qianen Zhang , Zeyu Yang , Satoshi Nakamura

The demand for synthetic data in mathematical reasoning has increased due to its potential to enhance the mathematical capabilities of large language models (LLMs). However, ensuring the validity of intermediate reasoning steps remains a…

Artificial Intelligence · Computer Science 2026-01-19 Joshua Ong Jun Leang , Giwon Hong , Wenda Li , Shay B. Cohen