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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…

计算与语言 · 计算机科学 2022-07-11 Zejiang Hou , Julian Salazar , George Polovets

Accurate molecular property prediction is central to drug discovery, catalysis, and process design, yet real-world applications are often limited by small datasets. Molecular foundation models provide a promising direction by learning…

机器学习 · 计算机科学 2026-04-21 Karim K. Ben Hicham , Jan G. Rittig , Martin Grohe , Alexander Mitsos

Accurately modeling and controlling vehicle exhaust emissions during transient events, such as rapid acceleration, is critical for meeting environmental regulations and optimizing powertrains. Conventional data-driven methods, such as…

系统与控制 · 电气工程与系统科学 2026-01-28 Ganesh Sundaram , Tobias Gehra , Jonas Ulmen , Mirjan Heubaum , Daniel Görges , Michael Günthner

High-throughput approximations of quantum mechanics calculations and combinatorial experiments have been traditionally used to reduce the search space of possible molecules, drugs and materials. However, the interplay of structural and…

量子物理 · 物理学 2019-10-29 Alain Tchagang , Julio Valdés

Pre-trained machine learning (ML) models have shown great performance for a wide range of applications, in particular in natural language processing (NLP) and computer vision (CV). Here, we study how pre-training could be used for…

Molecular property calculations are the bedrock of chemical physics. High-fidelity \textit{ab initio} modeling techniques for computing the molecular properties can be prohibitively expensive, and motivate the development of…

Open-sourcing foundation models (FMs) enables broad reuse but also exposes model trainers to economic and safety risks from unrestricted downstream fine-tuning. We address this problem by building non-fine-tunable foundation models: models…

机器学习 · 计算机科学 2026-02-03 Ziyao Wang , Nizhang Li , Pingzhi Li , Guoheng Sun , Tianlong Chen , Ang Li

Multimodal Large Language Models (MLLMs) are undergoing rapid progress and represent the frontier of AI development. However, their training and inference efficiency have emerged as a core bottleneck in making MLLMs more accessible and…

Recent advances in pre-trained language models (PLMs) have demonstrated their capabilities in capturing universal knowledge, making them promising for radar signal processing applications. Nevertheless, directly fine-tuning PLMs on radar…

信号处理 · 电气工程与系统科学 2026-05-01 Qiying Hu , Yaowen Li , Shengyi Zhang , Chuan Huang , Yu Liu , You He

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…

计算与语言 · 计算机科学 2023-10-09 Zhengxiang Shi , Aldo Lipani

The entry of large language models (LLMs) into research and commercial spaces has led to a trend of ever-larger models, with initial promises of generalisability, followed by a widespread desire to downsize and create specialised models…

Recent works have indicated redundancy across transformer blocks, prompting the research of depth compression to prune less crucial blocks. However, current ways of entire-block pruning suffer from risks of discarding meaningful cues…

计算机视觉与模式识别 · 计算机科学 2026-02-10 Ruihan Xu , Qingpei Guo , Yao Zhu , Xiangyang Ji , Ming Yang , Shiliang Zhang

In this paper, we move towards combining large parametric models with non-parametric prototypical networks. We propose prototypical fine-tuning, a novel prototypical framework for fine-tuning pretrained language models (LM), which…

计算与语言 · 计算机科学 2022-11-28 Yiqiao Jin , Xiting Wang , Yaru Hao , Yizhou Sun , Xing Xie

Recent advancements in machine learning (ML), natural language processing (NLP), and foundational models have shown promise for real-life applications in critical, albeit compute-constrainted fields like healthcare. In such areas, combining…

机器学习 · 计算机科学 2025-02-05 Georgios Margaritis , Periklis Petridis , Dimitris J. Bertsimas

Recently, federated large language models (LLMs) have drawn significant attention thanks to coupled capabilities of LLMs and federated learning (FL) that address privacy concerns in collaborative fine-tuning. However, due to large-scale…

分布式、并行与集群计算 · 计算机科学 2026-02-17 Zhiwen Pang , Kang Wei , Long Shi , Zhe Wang , Jun Li , Feng Shu

As Large Language Models (LLMs) achieve remarkable empirical success through scaling model and data size, pretraining has become increasingly critical yet computationally prohibitive, hindering rapid development. Despite the availability of…

计算与语言 · 计算机科学 2026-02-06 Ji Zhao , Yufei Gu , Shitong Shao , Xun Zhou , Liang Xiang , Zeke Xie

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,…

化学物理 · 物理学 2026-04-22 Peter Eastman , Evan Pretti , Thomas E. Markland

Comprehensively understanding and accurately predicting the performance of large language models across diverse downstream tasks has emerged as a pivotal challenge in NLP research. The pioneering scaling law on downstream works demonstrated…

计算与语言 · 计算机科学 2024-10-04 Qiyuan Zhang , Fuyuan Lyu , Xue Liu , Chen Ma

Large Language Models (LLMs) are known for their expensive and time-consuming training. Thus, oftentimes, LLMs are fine-tuned to address a specific task, given the pretrained weights of a pre-trained LLM considered a foundation model. In…

计算与语言 · 计算机科学 2025-12-05 Eshed Gal , Moshe Eliasof , Javier Turek , Uri Ascher , Eran Treister , Eldad Haber

Large Language Models (LLMs) are not only resource-intensive to train but even more costly to deploy in production. Therefore, recent work has attempted to prune blocks of LLMs based on cheap proxies for estimating block importance,…

机器学习 · 计算机科学 2024-07-24 Shoaib Ahmed Siddiqui , Xin Dong , Greg Heinrich , Thomas Breuel , Jan Kautz , David Krueger , Pavlo Molchanov