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The general approach taken when training deep learning classifiers is to save the parameters after every few iterations, train until either a human observer or a simple metric-based heuristic decides the network isn't learning anymore, and…

Machine Learning · Computer Science 2021-11-17 J. K. Terry , Mario Jayakumar , Kusal De Alwis

Proteins are essential for life, and their structure determines their function. The protein secondary structure is formed by the folding of the protein primary structure, and the protein tertiary structure is formed by the bending and…

Biomolecules · Quantitative Biology 2024-03-11 Yanlin Zhou , Kai Tan , Xinyu Shen , Zheng He , Haotian Zheng

Instability of trained models, i.e., the dependence of individual node predictions on random factors, can affect reproducibility, reliability, and trust in machine learning systems. In this paper, we systematically assess the prediction…

Machine Learning · Computer Science 2022-05-23 Max Klabunde , Florian Lemmerich

Understanding how protein mutations affect protein-nucleic acid binding is critical for unraveling disease mechanisms and advancing therapies. Current experimental approaches are laborious, and computational methods remain limited in…

Quantitative Methods · Quantitative Biology 2025-05-30 Xiang Liu , Junjie Wee , Guo-Wei Wei

Context: Mutation Testing (MT) is an important tool in traditional Software Engineering (SE) white-box testing. It aims to artificially inject faults in a system to evaluate a test suite's capability to detect them, assuming that the test…

Software Engineering · Computer Science 2023-01-16 Florian Tambon , Foutse Khomh , Giuliano Antoniol

Benchmark rankings are routinely used to justify scientific claims about method quality in gene regulatory network (GRN) inference, yet the stability of these rankings under plausible evaluation protocol choices is rarely examined. We…

Molecular Networks · Quantitative Biology 2026-03-05 Ihor Kendiukhov

Robustness verification that aims to formally certify the prediction behavior of neural networks has become an important tool for understanding model behavior and obtaining safety guarantees. However, previous methods can usually only…

Machine Learning · Computer Science 2020-12-24 Zhouxing Shi , Huan Zhang , Kai-Wei Chang , Minlie Huang , Cho-Jui Hsieh

As the use of machine learning in high impact domains becomes widespread, the importance of evaluating safety has increased. An important aspect of this is evaluating how robust a model is to changes in setting or population, which…

Machine Learning · Computer Science 2021-03-16 Adarsh Subbaswamy , Roy Adams , Suchi Saria

To date, the instability of prognostic predictors in a sparse high dimensional model, which hinders their clinical adoption, has received little attention. Stable prediction is often overlooked in favour of performance. Yet, stability…

Machine Learning · Statistics 2016-09-29 Shivapratap Gopakumar , Truyen Tran , Dinh Phung , Svetha Venkatesh

Predictions from machine learning algorithms can vary across random seeds, inducing instability in downstream debiased machine learning estimators. We formalize random seed stability via a concentration condition and prove that subbagging…

Methodology · Statistics 2026-04-21 Nicholas Williams , Alejandro Schuler

Robustness verification of neural networks, referring to formally proving that neural networks satisfy robustness properties, is of crucial importance in safety-critical applications, where model failures can result in loss of human life or…

Machine Learning · Computer Science 2026-04-06 Minh Le , Phuong Cao

Robustness against unwanted perturbations is an important aspect of deploying neural network classifiers in the real world. Common natural perturbations include noise, saturation, occlusion, viewpoint changes, and blur deformations. All of…

Computer Vision and Pattern Recognition · Computer Science 2021-11-19 Sadaf Gulshad , Ivan Sosnovik , Arnold Smeulders

Neural networks have recently been established as a viable classification method for imaging mass spectrometry data for tumor typing. For multi-laboratory scenarios however, certain confounding factors may strongly impede their performance.…

We present a simple theory that uses thermodynamic parameters to predict the probability that a protein retains the wildtype structure after one or more random amino acid substitutions. Our theory predicts that for large numbers of…

Biomolecules · Quantitative Biology 2009-11-10 Jesse D. Bloom , Jonathan J. Silberg , Claus O. Wilke , D. Allan Drummond , Christoph Adami , Frances H. Arnold

In this work, we introduce pixel wise tensor normalization, which is inserted after rectifier linear units and, together with batch normalization, provides a significant improvement in the accuracy of modern deep neural networks. In…

Computer Vision and Pattern Recognition · Computer Science 2021-09-07 Wolfgang Fuhl

This paper uses the notion of algorithmic stability to derive novel generalization bounds for several families of transductive regression algorithms, both by using convexity and closed-form solutions. Our analysis helps compare the…

Machine Learning · Computer Science 2009-04-07 Corinna Cortes , Mehryar Mohri , Dmitry Pechyony , Ashish Rastogi

The standard genetic code is known to be robust to translation errors and point mutations. We studied how small modifications of the standard code affect its robustness. The robustness was assessed in terms of a proper stability function,…

Quantitative Methods · Quantitative Biology 2009-09-25 V. R. Chechetkin , V. V. Lobzin

The computational prediction of a protein structure from its sequence generally relies on a method to assess the quality of protein models. Most assessment methods rank candidate models using heavily engineered structural features, defined…

Biomolecules · Quantitative Biology 2018-11-26 Georgy Derevyanko , Sergei Grudinin , Yoshua Bengio , Guillaume Lamoureux

Deep neural networks (DNN) have been used successfully in many scientific problems for their high prediction accuracy, but their application to genetic studies remains challenging due to their poor interpretability. In this paper, we…

Machine Learning · Computer Science 2021-10-01 Peyman H. Kassani , Fred Lu , Yann Le Guen , Zihuai He

Data mining techniques have been used by researchers for analyzing protein sequences. In protein analysis, especially in protein sequence classification, selection of feature is most important. Popular protein sequence classification…

Databases · Computer Science 2012-11-22 Suprativ Saha , Rituparna Chaki