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Accurate prediction of surface energies and stabilities is essential for materials design, yet first-principles calculations remain computationally expensive and most existing interatomic potentials are trained only on bulk systems. Here,…

Materials Science · Physics 2025-10-01 Jaekyun Hwang , Taehun Lee , Yonghyuk Lee , Su-Hyun Yoo

Representing deep neural networks (DNNs) in low-precision is a promising approach to enable efficient acceleration and memory reduction. Previous methods that train DNNs in low-precision typically keep a copy of weights in high-precision…

Supervised fine-tuning (SFT) is a critical step in aligning large language models (LLMs) with human instructions and values, yet many aspects of SFT remain poorly understood. We trained a wide range of base models on a variety of datasets…

Computation and Language · Computer Science 2025-10-31 Yuto Harada , Yusuke Yamauchi , Yusuke Oda , Yohei Oseki , Yusuke Miyao , Yu Takagi

Fueled by their remarkable ability to tackle diverse tasks across multiple domains, large language models (LLMs) have grown at an unprecedented rate, with some recent models containing trillions of parameters. This growth is accompanied by…

Machine Learning · Computer Science 2025-05-30 Athanasios Glentis , Jiaxiang Li , Qiulin Shang , Andi Han , Ioannis Tsaknakis , Quan Wei , Mingyi Hong

When using supervised fine-tuning (SFT) to adapt large language models (LLMs) to specific domains, a significant challenge arises: should we use the entire SFT dataset for fine-tuning? Common practice often involves fine-tuning directly on…

Computation and Language · Computer Science 2025-05-26 Xiang Liu , Zhaoxiang Liu , Peng Wang , Kohou Wang , Huan Hu , Kai Wang , Shiguo Lian

With the rapid development of Deep Learning, more and more applications on the cloud and edge tend to utilize large DNN (Deep Neural Network) models for improved task execution efficiency as well as decision-making quality. Due to memory…

Machine Learning · Computer Science 2024-07-02 Jingran Shen , Nikos Tziritas , Georgios Theodoropoulos

Multimodal large language models (MLLMs) have shown impressive capabilities, yet they often struggle to effectively capture the fine-grained textual information within images crucial for accurate image translation. This often leads to a…

Computation and Language · Computer Science 2026-04-21 Bo Li , Ningyuan Deng , Tianyu Dong , Shaobo Wang , Shaolin Zhu , Lijie Wen

As language models scale up, it becomes increasingly expensive to verify research ideas because conclusions on small models do not trivially transfer to large ones. A possible solution is to establish a generic system that accurately…

Computation and Language · Computer Science 2024-04-09 Yiqun Yao , Siqi fan , Xiusheng Huang , Xuezhi Fang , Xiang Li , Ziyi Ni , Xin Jiang , Xuying Meng , Peng Han , Shuo Shang , Kang Liu , Aixin Sun , Yequan Wang

Deep Neural Networks (DNNs) provide state-of-the-art solutions in several difficult machine perceptual tasks. However, their performance relies on the availability of a large set of labeled training data, which limits the breadth of their…

Machine Learning · Computer Science 2018-03-01 Randall Balestriero , Herve Glotin , Richard Baraniuk

Language models (LMs) trained on vast quantities of unlabelled data have greatly advanced the field of natural language processing (NLP). In this study, we re-visit the widely accepted notion in NLP that continued pre-training LMs on…

Computation and Language · Computer Science 2023-10-09 Zhengxiang Shi , Aldo Lipani

Accurate prediction of material properties facilitates the discovery of novel materials with tailored functionalities. Deep learning models have recently shown superior accuracy and flexibility in capturing structure-property relationships.…

Machine Learning · Computer Science 2025-04-30 Chowdhury Mohammad Abid Rahman , Aldo H. Romero , Prashnna K. Gyawali

Language model pre-training has proven to be useful in many language understanding tasks. In this paper, we investigate whether it is still helpful to add the self-training method in the pre-training step and the fine-tuning step. Towards…

Computation and Language · Computer Science 2023-02-17 Tong Guo

Machine learning interatomic potentials (MLIPs) have transformed materials discovery by leveraging graph neural networks (GNNs) to predict material properties with near density functional theory (DFT) accuracy. While large-scale pretrained…

Materials Science · Physics 2026-05-29 Rushikesh Pawar , Harshit Rawat , Ayush Kumar , Phani Motamarri

This paper presents a new method for pre-training neural networks that can decrease the total training time for a neural network while maintaining the final performance, which motivates its use on deep neural networks. By partitioning the…

Neural and Evolutionary Computing · Computer Science 2016-01-05 Conrado S. Miranda , Fernando J. Von Zuben

Overcoming the challenge of limited data availability within materials science is crucial for the broad-based applicability of machine learning within materials science. One pathway to overcome this limited data availability is to use the…

Materials Science · Physics 2024-12-24 Reshma Devi , Keith T. Butler , Gopalakrishnan Sai Gautam

Deep neural networks for time series must capture complex temporal patterns, to effectively represent dynamic data. Self- and semi-supervised learning methods show promising results in pre-training large models, which -- when finetuned for…

Machine Learning · Computer Science 2025-08-15 Yuhan Xie , William Cappelletti , Mahsa Shoaran , Pascal Frossard

The training of large language models (LLMs) is expensive. In this paper, we study data-efficient approaches for pre-training LLMs, i.e., techniques that aim to optimize the Pareto frontier of model quality and training resource/data…

Pruning before training enables the deployment of neural networks on smart devices. By retaining weights conducive to generalization, pruned networks can be accommodated on resource-constrained smart devices. It is commonly held that the…

Machine Learning · Computer Science 2025-09-16 Jinying Xiao , Ping Li , Zhe Tang , Jie Nie

Large Language Models (LLMs) have advanced rapidly but face significant memory demands. While quantization has shown promise for LLMs, current methods typically require lengthy training to alleviate the performance degradation from…

Artificial Intelligence · Computer Science 2024-05-31 Ke Yi , Yuhui Xu , Heng Chang , Chen Tang , Yuan Meng , Tong Zhang , Jia Li

Large neural networks are typically trained for a fixed computational budget, creating a rigid trade-off between performance and efficiency that is ill-suited for deployment in resource-constrained or dynamic environments. Existing…

Machine Learning · Computer Science 2026-03-05 Paulius Rauba , Mihaela van der Schaar