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相关论文: Multiple Physics Pretraining for Physical Surrogat…

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Physics-constrained neural networks are commonly employed to enhance prediction robustness compared to purely data-driven models, achieved through the inclusion of physical constraint losses during the model training process. However, one…

机器学习 · 计算机科学 2024-02-06 Hao Zhou , Sibo Cheng , Rossella Arcucci

Molecular Property Prediction (MPP) is vital for drug discovery, crop protection, and environmental science. Over the last decades, diverse computational techniques have been developed, from using simple physical and chemical properties and…

机器学习 · 计算机科学 2024-04-08 Afnan Sultan , Jochen Sieg , Miriam Mathea , Andrea Volkamer

Physical measurements constitute a large portion of numbers in academic papers, engineering reports, and web tables. Current benchmarks fall short of properly evaluating numeracy of pretrained language models on measurements, hindering…

计算与语言 · 计算机科学 2021-12-17 Daniel Spokoyny , Ivan Lee , Zhao Jin , Taylor Berg-Kirkpatrick

Collaboration requires agents to align their goals on the fly. Underlying the human ability to align goals with other agents is their ability to predict the intentions of others and actively update their own plans. We propose hierarchical…

多智能体系统 · 计算机科学 2020-11-10 Rose E. Wang , J. Chase Kew , Dennis Lee , Tsang-Wei Edward Lee , Tingnan Zhang , Brian Ichter , Jie Tan , Aleksandra Faust

Simulating hybrid magnonic quantum systems remains a challenge due to the large disparity between the timescales of the two systems. We present a massively parallel GPU-based simulation framework that enables fully coupled, large-scale…

We propose masked particle modeling (MPM) as a self-supervised method for learning generic, transferable, and reusable representations on unordered sets of inputs for use in high energy physics (HEP) scientific data. This work provides a…

高能物理 - 唯象学 · 物理学 2024-07-12 Tobias Golling , Lukas Heinrich , Michael Kagan , Samuel Klein , Matthew Leigh , Margarita Osadchy , John Andrew Raine

Self-supervised pretraining from static structures of drug-like compounds and proteins enable powerful learned feature representations. Learned features demonstrate state of the art performance on a range of predictive tasks including…

生物大分子 · 定量生物学 2025-09-12 Derek Jones , Yue Yang , Felice C. Lightstone , Niema Moshiri , Jonathan E. Allen , Tajana S. Rosing

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

Surrogate models provide compact relations between user-defined input parameters and output quantities of interest, enabling the efficient evaluation of complex parametric systems in many-query settings. Such capabilities are essential in a…

数值分析 · 数学 2026-03-16 Matteo Giacomini , Pedro Díez

For unsupervised pretraining, mask-reconstruction pretraining (MRP) approaches, e.g. MAE and data2vec, randomly mask input patches and then reconstruct the pixels or semantic features of these masked patches via an auto-encoder. Then for a…

机器学习 · 计算机科学 2023-02-14 Jiachun Pan , Pan Zhou , Shuicheng Yan

We present Model Predictive Planning (MPP), a trajectory planner for low-agility vehicles such as a fixed-wing aircraft to navigate obstacle-laden environments. MPP consists of (1) a multi-path planning procedure that identifies candidate…

系统与控制 · 电气工程与系统科学 2024-09-17 Matthew T. Wallace , Brett Streetman , Laurent Lessard

Multiscale homogenization of woven composites requires detailed micromechanical evaluations, leading to high computational costs. Data-driven surrogate models based on neural networks address this challenge but often suffer from big data…

Recently, a class of machine learning methods called physics-informed neural networks (PINNs) has been proposed and gained prevalence in solving various scientific computing problems. This approach enables the solution of partial…

计算工程、金融与科学 · 计算机科学 2023-11-06 Chen Xu , Ba Trung Cao , Yong Yuan , Günther Meschke

Multi-Task Learning (MTL) is designed to train multiple correlated tasks simultaneously, thereby enhancing the performance of individual tasks. Typically, a multi-task network structure consists of a shared backbone and task-specific…

计算机视觉与模式识别 · 计算机科学 2023-12-15 Yi Xin , Junlong Du , Qiang Wang , Ke Yan , Shouhong Ding

The pretrain-finetune paradigm is a classical pipeline in visual learning. Recent progress on unsupervised pretraining methods shows superior transfer performance to their supervised counterparts. This paper revisits this phenomenon and…

计算机视觉与模式识别 · 计算机科学 2022-03-29 Yizhou Wang , Shixiang Tang , Feng Zhu , Lei Bai , Rui Zhao , Donglian Qi , Wanli Ouyang

Recent foundation models are capable of handling multiple tasks and multiple data modalities with the unified base model structure and several specialized model components. However, efficient training of such multi-task (MT) multi-modal…

分布式、并行与集群计算 · 计算机科学 2025-02-12 Yujie Wang , Shenhan Zhu , Fangcheng Fu , Xupeng Miao , Jie Zhang , Juan Zhu , Fan Hong , Yong Li , Bin Cui

Pretrained Transformer based models finetuned on domain specific corpora have changed the landscape of NLP. However, training or fine-tuning these models for individual tasks can be time consuming and resource intensive. Thus, a lot of…

In recent years, domains such as natural language processing and image recognition have popularized the paradigm of using large datasets to pretrain representations that can be effectively transferred to downstream tasks. In this work we…

机器学习 · 计算机科学 2023-10-26 David Brandfonbrener , Ofir Nachum , Joan Bruna

3D-aware visual pretraining has proven effective in improving the performance of downstream robotic manipulation tasks. However, existing methods are constrained to Euclidean embedding spaces, whose flat geometry limits their ability to…

机器人学 · 计算机科学 2026-03-13 Jin Yang , Ping Wei , Yixin Chen , Nanning Zheng

Recently, model merging techniques have surfaced as a solution to combine multiple single-talent models into a single multi-talent model. However, previous endeavors in this field have either necessitated additional training or fine-tuning…

计算机视觉与模式识别 · 计算机科学 2024-03-18 Zhengqi Xu , Ke Yuan , Huiqiong Wang , Yong Wang , Mingli Song , Jie Song