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In this paper, we present a new algorithm, MiniFool, that implements physics-inspired adversarial attacks for testing neural network-based classification tasks in particle and astroparticle physics. While we initially developed the…

Adaptive optimizers such as Adam have achieved great success in training large-scale models like large language models and diffusion models. However, they often generalize worse than non-adaptive methods, such as SGD on classical…

Machine Learning · Computer Science 2025-12-23 Yiheng Zhang , Shaowu Wu , Yuanzhuo Xu , Jiajun Wu , Shang Xu , Steve Drew , Xiaoguang Niu

Real-time AI experiences call for on-device large language models (OD-LLMs) optimized for efficient deployment on resource-constrained hardware. The most useful OD-LLMs produce near-real-time responses and exhibit broad hardware…

Time integration of stiff systems is a primary source of computational cost in combustion, hypersonics, and other reactive transport systems. This stiffness can introduce time scales significantly smaller than those associated with other…

Machine Learning · Computer Science 2026-05-19 Kamaljyoti Nath , Additi Pandey , Bryan T. Susi , Hessam Babaee , George Em Karniadakis

Adam is a widely used stochastic optimization method for deep learning applications. While practitioners prefer Adam because it requires less parameter tuning, its use is problematic from a theoretical point of view since it may not…

Machine Learning · Computer Science 2020-11-25 Mingrui Liu , Wei Zhang , Francesco Orabona , Tianbao Yang

Anomaly detection is an important task for complex systems (e.g., industrial facilities, manufacturing, large-scale science experiments), where failures in a sub-system can lead to low yield, faulty products, or even damage to components.…

Machine Learning · Computer Science 2023-09-06 Ryan Humble , Zhe Zhang , Finn O'Shea , Eric Darve , Daniel Ratner

We propose Comprehensive Robust Dynamic Mode Decomposition (CR-DMD), a novel framework that robustifies the entire DMD process - from mode extraction to dimensional reduction - against mixed noise. Although standard DMD widely used for…

Signal Processing · Electrical Eng. & Systems 2026-01-19 Yuki Nakamura , Shingo Takemoto , Shunsuke Ono

The basis generation in reduced order modeling usually requires multiple high-fidelity large-scale simulations that could take a huge computational cost. In order to accelerate these numerical simulations, we introduce a FOM/ROM hybrid…

Numerical Analysis · Mathematics 2021-03-17 Lihong Feng , Guosheng Fu , Zhu Wang

While object diagrams (ODs) are widely used as a means to document object-oriented systems, they are expressively weak, as they are limited to describe specific possible snapshots of the system at hand. In this paper we introduce modal…

Software Engineering · Computer Science 2014-09-09 Shahar Maoz , Jan Oliver Ringert , Bernhard Rumpe

Adaptive optimizers like AdamW apply uniform hyperparameters across all parameter groups, ignoring heterogeneous optimization dynamics across layers and modules. We address this limitation by proposing MetaAdamW - a new optimizer that…

Machine Learning · Computer Science 2026-05-07 JiangBo Zhao , ZhaoXin Liu

We propose a data-driven filtered reduced order model (DDF-ROM) framework for the numerical simulation of fluid flows. The novel DDF-ROM framework consists of two steps: (i) In the first step, we use explicit ROM spatial filtering of the…

Fluid Dynamics · Physics 2017-09-14 X. Xie , M. Mohebujjaman , L. G. Rebholz , T. Iliescu

We introduce Cautious Weight Decay (CWD), a one-line, optimizer-agnostic modification that applies weight decay only to parameter coordinates whose signs align with the optimizer update. Unlike standard decoupled decay, which implicitly…

Machine Learning · Computer Science 2026-02-25 Lizhang Chen , Jonathan Li , Kaizhao Liang , Baiyu Su , Cong Xie , Nuo Wang Pierse , Chen Liang , Ni Lao , Qiang Liu

Reduced Order Models (ROMs) form essential tools across engineering domains by virtue of their function as surrogates for computationally intensive digital twinning simulators. Although purely data-driven methods are available for ROM…

Computational Engineering, Finance, and Science · Computer Science 2025-04-14 Konstantinos Vlachas , Thomas Simpson , Anthony Garland , D. Dane Quinn , Charbel Farhat , Eleni Chatzi

Optimization algorithms are core methods by which machine learning models iteratively minimize loss functions, update parameters, learn from data, and improve performance. Momentum SGD and AdamW represent two important optimization…

Machine Learning · Computer Science 2026-05-21 Meng Zhu , Quan Xiao , Weidong Min

Recent autonomous LLM agents have demonstrated end-to-end automation of machine-learning research. Real-world physical science is intrinsically harder, requiring deep reasoning bounded by physical truth and, because real systems are too…

Computational Physics · Physics 2026-04-15 Haonan Huang

Open-set supervised anomaly detection (OSAD) aims to identify unseen anomalies using limited anomalous supervision. However, existing prototype-based methods typically model normal data via a unimodal Gaussian prior, failing to capture…

Computer Vision and Pattern Recognition · Computer Science 2026-05-15 Fuyun Wang , Yuanzhi Wang , Xu Guo , Sujia Huang , Tong Zhang , Dan Wang , Hui Yan , Xin Liu , Zhen Cui

Stay at home order during the COVID-19 helps flatten the curve but ironically, instigate mental health problems among the people who have Substance Use Disorders. Measuring the electrical activity signals in brain using off-the-shelf…

Human-Computer Interaction · Computer Science 2022-04-15 Emon Dey , Nirmalya Roy

Large-scale multimodal pre-trained models like CLIP rely heavily on high-quality training data, yet raw web-crawled datasets are often noisy, misaligned, and redundant, leading to inefficient training and suboptimal generalization. Existing…

Machine Learning · Computer Science 2026-02-06 Guanjie Cheng , Boyi Li , Lingyu Sun , Mengying Zhu , Yangyang Wu , Xinkui Zhao , Shuiguang Deng

AI-aided drug discovery (AIDD) is gaining increasing popularity due to its promise of making the search for new pharmaceuticals quicker, cheaper and more efficient. In spite of its extensive use in many fields, such as ADMET prediction,…

Reduced-order modeling (ROM) commonly refers to the construction, based on a few solutions (referred to as snapshots) of an expensive discretized partial differential equation (PDE), and the subsequent application of low-dimensional…

Numerical Analysis · Mathematics 2019-05-22 Martin Hess , Alessandro Alla , Annalisa Quaini , Gianluigi Rozza , Max Gunzburger