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The probability distribution function (PDF) of the mass surface density of molecular clouds provides essential information about the structure of molecular cloud gas and condensed structures out of which stars may form. In general, the PDF…

Astrophysics of Galaxies · Physics 2015-06-22 Jörg Fischera

Machine learning models are vulnerable to adversarial examples formed by applying small carefully chosen perturbations to inputs that cause unexpected classification errors. In this paper, we perform experiments on various adversarial…

Computer Vision and Pattern Recognition · Computer Science 2017-08-08 Andras Rozsa , Manuel Günther , Terrance E. Boult

Prediction models based on deep neural networks are increasingly gaining attention for fast and accurate virtual screening systems. For decision makings in virtual screening, researchers find it useful to interpret an output of…

Machine Learning · Computer Science 2020-03-18 Soojung Yang , Kyung Hoon Lee , Seongok Ryu

A machine learning model is traditionally considered robust if its prediction remains (almost) constant under input perturbations with small norm. However, real-world tasks like molecular property prediction or point cloud segmentation have…

Machine Learning · Computer Science 2024-01-17 Jan Schuchardt , Yan Scholten , Stephan Günnemann

With the great capabilities of deep classifiers for radar data processing come the risks of learning dataset-specific features that do not generalize well. In this work, the robustness of two deep convolutional architectures, trained and…

Computer Vision and Pattern Recognition · Computer Science 2024-02-23 Mikolaj Czerkawski , Carmine Clemente , Craig Michie , Christos Tachtatzis

Many applications require the robustness, or ideally the invariance, of a neural network to certain transformations of input data. Most commonly, this requirement is addressed by either augmenting the training data, using adversarial…

Computer Vision and Pattern Recognition · Computer Science 2021-06-21 Kanchana Vaishnavi Gandikota , Jonas Geiping , Zorah Lähner , Adam Czapliński , Michael Moeller

As deep neural networks (DNNs) get adopted in an ever-increasing number of applications, explainability has emerged as a crucial desideratum for these models. In many real-world tasks, one of the principal reasons for requiring…

Artificial Intelligence · Computer Science 2020-07-03 Vedant Nanda , Till Speicher , John P. Dickerson , Krishna P. Gummadi , Muhammad Bilal Zafar

Parton distribution functions (PDFs) form an essential part of particle physics calculations. Currently, the most precise predictions for these non-perturbative functions are generated through fits to global data. A problem that several PDF…

High Energy Physics - Phenomenology · Physics 2025-09-04 Mengshi Yan , Tie-Jiun Hou , Zhao Li , Kirtimaan Mohan , C. -P. Yuan

Machine learning (ML) models for molecules and materials commonly rely on a decomposition of the global target quantity into local, atom-centered contributions. This approach is convenient from a computational perspective, enabling…

Perturbation Theory (PT) applied to a cosmological density field with Gaussian initial fluctuations suggests a specific hierarchy for the correlation functions when the variance is small. In particular quantitative predictions have been…

Astrophysics · Physics 2009-10-30 D. Munshi , F. Bernardeau , A. L. Melott , R. Schaeffer

Although state-of-the-art PDF malware classifiers can be trained with almost perfect test accuracy (99%) and extremely low false positive rate (under 0.1%), it has been shown that even a simple adversary can evade them. A practically useful…

Cryptography and Security · Computer Science 2019-12-04 Yizheng Chen , Shiqi Wang , Dongdong She , Suman Jana

We introduce Harmonic Robustness, a powerful and intuitive method to test the robustness of any machine-learning model either during training or in black-box real-time inference monitoring without ground-truth labels. It is based on…

Machine Learning · Computer Science 2024-04-30 Nicholas S. Kersting , Yi Li , Aman Mohanty , Oyindamola Obisesan , Raphael Okochu

Non-adversarial robustness, also known as natural robustness, is a property of deep learning models that enables them to maintain performance even when faced with distribution shifts caused by natural variations in data. However, achieving…

Machine Learning · Computer Science 2023-05-25 Gorana Gojić , Vladimir Vincan , Ognjen Kundačina , Dragiša Mišković , Dinu Dragan

In recent years numerous methods have been developed to formally verify the robustness of deep neural networks (DNNs). Though the proposed techniques are effective in providing mathematical guarantees about the DNNs behavior, it is not…

Machine Learning · Computer Science 2023-02-01 Debangshu Banerjee , Avaljot Singh , Gagandeep Singh

Data used to train machine learning models can be adversarial--maliciously constructed by adversaries to fool the model. Challenge also arises by privacy, confidentiality, or due to legal constraints when data are geographically gathered…

Machine Learning · Computer Science 2020-07-09 Alireza Sadeghi , Gang Wang , Meng Ma , Georgios B. Giannakis

Equations for the reduced structure function and atomic pair distribution function (PDF) of a textured polycrystalline sample are formulated in terms of the orientational distribution function (ODF) and the structure function from a single…

Materials Science · Physics 2018-05-29 Zizhou Gong , Simon J. L. Billinge

We present a first principle approach to obtain analytical predictions for spherically-averaged cosmic densities in the mildly non-linear regime that go well beyond what is usually achieved by standard perturbation theory. A large deviation…

Cosmology and Nongalactic Astrophysics · Physics 2016-05-25 Cora Uhlemann , Sandrine Codis , Christophe Pichon , Francis Bernardeau , Paulo Reimberg

While deep neural networks can attain good accuracy on in-distribution test points, many applications require robustness even in the face of unexpected perturbations in the input, changes in the domain, or other sources of distribution…

Machine Learning · Computer Science 2022-10-12 Marvin Zhang , Sergey Levine , Chelsea Finn

We build random forests models to predict elastic properties and mechanical hardness of a compound, using only its chemical formula as input. The model training uses over 10,000 target compounds and 60 features based on stoichiometric…

Materials Science · Physics 2021-07-22 Wei-Chih Chen , Joanna N. Schmidt , Da Yan , Yogesh K. Vohra , Cheng-Chien Chen

Connectivity robustness, a crucial aspect for understanding, optimizing, and repairing complex networks, has traditionally been evaluated through time-consuming and often impractical simulations. Fortunately, machine learning provides a new…

Computer Vision and Pattern Recognition · Computer Science 2024-05-30 Wenjun Jiang , Tianlong Fan , Changhao Li , Chuanfu Zhang , Tao Zhang , Zong-fu Luo
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