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We present MRPC, an R package that learns causal graphs with improved accuracy over existing packages, such as pcalg and bnlearn. Our algorithm builds on the powerful PC algorithm, the canonical algorithm in computer science for learning…

Machine Learning · Statistics 2018-06-07 Md. Bahadur Badsha , Evan A Martin , Audrey Qiuyan Fu

Neural networks are typically sensitive to small input perturbations, leading to unexpected or brittle behaviour. We present RobustNeuralNetworks.jl: a Julia package for neural network models that are constructed to naturally satisfy a set…

Machine Learning · Computer Science 2025-10-01 Nicholas H. Barbara , Max Revay , Ruigang Wang , Jing Cheng , Ian R. Manchester

Transformer models have consistently achieved remarkable results in various domains such as natural language processing and computer vision. However, despite ongoing research efforts to better understand these models, the field still lacks…

Machine Learning · Computer Science 2024-10-18 Ilya Kaufman , Omri Azencot

Surface wave tomography is essential for investigating the shear-wave velocity structure of the crust and upper mantle. The direct surface wave tomography method, DSurfTomo, has become one of the most widely adopted packages due to its…

Geophysics · Physics 2026-04-15 Shaohang Zhu , Junlun Li , Guoyi Chen , Hongjian Fang , Huajian Yao

Quantization replaces floating point arithmetic with integer arithmetic in deep neural network models, providing more efficient on-device inference with less power and memory. In this work, we propose a framework for formally verifying…

Machine Learning · Computer Science 2023-12-29 Pei Huang , Haoze Wu , Yuting Yang , Ieva Daukantas , Min Wu , Yedi Zhang , Clark Barrett

Training modern deep learning models is increasingly constrained by GPU memory and compute limits. While Randomized Numerical Linear Algebra (RandNLA) offers proven techniques to compress these models, the lack of a unified,…

Machine Learning · Computer Science 2026-01-23 Fahd Seddik , Abdulrahman Elbedewy , Gaser Sami , Mohamed Abdelmoniem , Yahia Zakaria

Image restoration tasks have witnessed great performance improvement in recent years by developing large deep models. Despite the outstanding performance, the heavy computation demanded by the deep models has restricted the application of…

Computer Vision and Pattern Recognition · Computer Science 2024-10-10 Junghun Oh , Heewon Kim , Seungjun Nah , Cheeun Hong , Jonghyun Choi , Kyoung Mu Lee

Investigations into the loss landscapes of deep neural networks are often laborious. This work documents our user-driven approach to create a platform for semi-automating this process. LossPlot accepts data in the form of a csv, and allows…

Machine Learning · Computer Science 2021-12-01 Robert Bain , Mikhail Tokarev , Harsh Kothari , Rahul Damineni

In this paper we show the similarities and differences of two deep neural networks by comparing the manifolds composed of activation vectors in each fully connected layer of them. The main contribution of this paper includes 1) a new data…

Machine Learning · Computer Science 2018-01-23 Tao Yu , Huan Long , John E. Hopcroft

SchNetPack is a toolbox for the development and application of deep neural networks to the prediction of potential energy surfaces and other quantum-chemical properties of molecules and materials. It contains basic building blocks of…

Computational Physics · Physics 2018-12-13 K. T. Schütt , P. Kessel , M. Gastegger , K. Nicoli , A. Tkatchenko , K. -R. Müller

Machine learning (ML) workloads launch hundreds to thousands of short-running GPU kernels per iteration. With GPU compute throughput growing rapidly, CPU-side launch latency of kernels is emerging as a bottleneck. CUDA Graphs promise to…

Machine Learning · Computer Science 2025-12-24 Abhishek Ghosh , Ajay Nayak , Ashish Panwar , Arkaprava Basu

Deep neural networks are workhorse models in machine learning with multiple layers of non-linear functions composed in series. Their loss function is highly non-convex, yet empirically even gradient descent minimisation is sufficient to…

Disordered Systems and Neural Networks · Physics 2020-03-18 Simon Becker , Yao Zhang , Alpha A. Lee

We present Sketch 'n Solve, an open-source Python package that implements efficient randomized numerical linear algebra (RandNLA) techniques for solving large-scale least squares problems. While sketch-and-solve algorithms have demonstrated…

Machine Learning · Computer Science 2024-11-19 Alex Lavaee

The Computational Crystallography Toolbox (CCTBX) is open-source software that allows for processing of crystallographic data, including from serial femtosecond crystallography (SFX), for macromolecular structure determination. We aim to…

Biological Physics · Physics 2023-07-06 Vidya Ganapati , Daniel Tchon , Aaron S. Brewster , Nicholas K. Sauter

We propose a novel framework, called Markov-Lipschitz deep learning (MLDL), to tackle geometric deterioration caused by collapse, twisting, or crossing in vector-based neural network transformations for manifold-based representation…

Machine Learning · Computer Science 2020-10-01 Stan Z. Li , Zelin Zang , Lirong Wu

Modern time series analysis demands frameworks that are flexible, efficient, and extensible. However, many existing Python libraries exhibit limitations in modularity and in their native support for irregular, multi-source, or sparse data.…

Machine Learning · Computer Science 2025-08-27 Zhijin Wang , Senzhen Wu , Yue Hu , Xiufeng Liu

Backpropagation is the default algorithm for training deep neural networks due to its simplicity, efficiency and high convergence rate. However, its requirements make it impossible to be implemented in a human brain. In recent years, more…

Machine Learning · Computer Science 2021-09-01 Albert Jiménez Sanfiz , Mohamed Akrout

The deep neural networks (DNNs) have achieved great success in learning complex patterns with strong predictive power, but they are often thought of as "black box" models without a sufficient level of transparency and interpretability. It…

Machine Learning · Computer Science 2020-11-10 Agus Sudjianto , William Knauth , Rahul Singh , Zebin Yang , Aijun Zhang

Deep learning (DL) allows computer models to learn, visualize, optimize, refine, and predict data. To understand its present state, examining the most recent advancements and applications of deep learning across various domains is…