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This article presents the prediction difference analysis method for visualizing the response of a deep neural network to a specific input. When classifying images, the method highlights areas in a given input image that provide evidence for…

Computer Vision and Pattern Recognition · Computer Science 2017-02-16 Luisa M Zintgraf , Taco S Cohen , Tameem Adel , Max Welling

Polynomial regression is a recurrent problem with a large number of applications. In computer vision it often appears in motion analysis. Whatever the application, standard methods for regression of polynomial models tend to deliver biased…

Computer Vision and Pattern Recognition · Computer Science 2018-05-24 Juan-Manuel Perez-Rua , Tomas Crivelli , Patrick Bouthemy , Patrick Perez

Pretraining DNA language models (DNALMs) on the full human genome is resource-intensive, yet often considered necessary for strong downstream performance. Inspired by recent findings in NLP and long-context modeling, we explore an…

Genomics · Quantitative Biology 2025-06-24 Sohan Mupparapu , Parameswari Krishnamurthy , Ratish Puduppully

Deep Learning is a consolidated, state-of-the-art Machine Learning tool to fit a function when provided with large data sets of examples. However, in regression tasks, the straightforward application of Deep Learning models provides a point…

Machine Learning · Computer Science 2018-07-25 Axel Brando , Jose A. Rodríguez-Serrano , Mauricio Ciprian , Roberto Maestre , Jordi Vitrià

Advances in sequencing have revealed that each individual carries about 10,000 missense variants. For the vast majority, we do not know what the functional consequences - if any - will be. Further, mechanistic insight, such as structural…

Biomolecules · Quantitative Biology 2025-07-24 Sven Larsen-Ledet , Aleksandra Panfilova , Amelie Stein

Advances in deep learning models have revolutionized the study of biomolecule systems and their mechanisms. Graph representation learning, in particular, is important for accurately capturing the geometric information of biomolecules at…

Quantitative Methods · Quantitative Biology 2023-04-07 Xinye Xiong , Bingxin Zhou , Yu Guang Wang

Deep generative models for graphs have exhibited promising performance in ever-increasing domains such as design of molecules (i.e, graph of atoms) and structure prediction of proteins (i.e., graph of amino acids). Existing work typically…

Machine Learning · Computer Science 2021-01-21 Wenbin Zhang , Liming Zhang , Dieter Pfoser , Liang Zhao

To successfully apply trained neural network models to new domains, powerful transfer learning solutions are essential. We propose to introduce a novel cross-domain latent modulation mechanism to a variational autoencoder framework so as to…

Machine Learning · Computer Science 2024-02-01 Jinyong Hou , Jeremiah D. Deng , Stephen Cranefield , Xuejie Din

Machine learning provides a broad framework for addressing high-dimensional prediction problems in classification and regression. While machine learning is often applied for imaging problems in medical physics, there are many efforts to…

Applications · Statistics 2020-07-02 John Kang , James T. Coates , Robert L. Strawderman , Barry S. Rosenstein , Sarah L. Kerns

Representations learnt through deep neural networks tend to be highly informative, but opaque in terms of what information they learn to encode. We introduce an approach to probabilistic modelling that learns to represent data with two…

Machine Learning · Statistics 2019-05-21 Ilya Feige

The paper presents a novel deep learning approach, which extracts latent information from trained Deep Neural Networks (DNNs) and derives concise representations that are analyzed in an effective, unified way for prediction purposes. It is…

Machine Learning · Computer Science 2020-09-22 D. Kollias , N. Bouas , Y. Vlaxos , V. Brillakis , M. Seferis , I. Kollia , L. Sukissian , J. Wingate , S. Kollias

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

Machine Learning · Computer Science 2020-03-27 Maithra Raghu , Eric Schmidt

Predicting the response of a specific cancer to a therapy is a major goal in modern oncology that should ultimately lead to a personalised treatment. High-throughput screenings of potentially active compounds against a panel of genomically…

The Critical Assessment of Genome Interpretation (CAGI) aims to advance the state of the art for computational prediction of genetic variant impact, particularly those relevant to disease. The five complete editions of the CAGI community…

Genomics · Quantitative Biology 2024-06-19 The Critical Assessment of Genome Interpretation Consortium

In generalized regression models the effect of continuous covariates is commonly assumed to be linear. This assumption, however, may be too restrictive in applications and may lead to biased effect estimates and decreased predictive…

Methodology · Statistics 2023-11-01 Nikolai Spuck , Matthias Schmid , Moritz Berger

In silico methods evaluating the mutation effects of missense mutations are providing an important approach for understanding mutations in personal genomes and identifying disease-relevant biomarkers. However, existing methods, including…

Quantitative Methods · Quantitative Biology 2024-06-14 Boshen Wang , Bowei Ye , Lin Xu , Jie Liang

In the space of only a few years, deep generative modeling has revolutionized how we think of artificial creativity, yielding autonomous systems which produce original images, music, and text. Inspired by these successes, researchers are…

Machine Learning · Computer Science 2019-05-24 Daniel C. Elton , Zois Boukouvalas , Mark D. Fuge , Peter W. Chung

Deep learning models for anticipating the products of organic reactions have found many use cases, including validating retrosynthetic pathways and constraining synthesis-based molecular design tools. Despite compelling performance on…

Machine Learning · Computer Science 2025-01-14 John Bradshaw , Anji Zhang , Babak Mahjour , David E. Graff , Marwin H. S. Segler , Connor W. Coley

Estimating treatment effects from observational data is paramount in healthcare, education, and economics, but current deep disentanglement-based methods to address selection bias are insufficiently handling irrelevant variables. We…

Machine Learning · Computer Science 2024-08-27 Ahmad Saeed Khan , Erik Schaffernicht , Johannes Andreas Stork

Evolutionary computation methods have been successfully applied to neural networks since two decades ago, while those methods cannot scale well to the modern deep neural networks due to the complicated architectures and large quantities of…

Neural and Evolutionary Computing · Computer Science 2019-03-12 Yanan Sun , Bing Xue , Mengjie Zhang , Gary G. Yen