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Estimating a causal query from observational data is an essential task in the analysis of biomolecular networks. Estimation takes as input a network topology, a query estimation method, and observational measurements on the network…

Cellular regulatory dynamics is driven by large and intricate networks of interactions at the molecular scale, whose sheer size obfuscates understanding. In light of limited experimental data, many parameters of such dynamics are unknown,…

Quantitative Methods · Quantitative Biology 2014-04-30 Bryan C. Daniels , Ilya Nemenman

The rapid proliferation of artificial intelligence (AI) models and methods presents growing challenges for research software engineers and researchers who must select, integrate, and maintain appropriate models within complex research…

Distribution shift is a major source of failure for machine learning models. However, evaluating model reliability under distribution shift can be challenging, especially since it may be difficult to acquire counterfactual examples that…

Machine Learning · Computer Science 2023-06-21 Joshua Vendrow , Saachi Jain , Logan Engstrom , Aleksander Madry

How can we find interpretable, domain-appropriate models of natural phenomena given some complex, raw data such as images? Can we use such models to derive scientific insight from the data? In this paper, we propose some methods for…

Machine Learning · Computer Science 2024-02-06 Christopher J. Soelistyo , Alan R. Lowe

Data-driven modeling of dynamical systems often faces numerous data-related challenges. A fundamental requirement is the existence of a unique set of parameters for a chosen model structure, an issue commonly referred to as identifiability.…

Systems and Control · Electrical Eng. & Systems 2024-05-24 Arthur N. Montanari , François Lamoline , Robert Bereza , Jorge Gonçalves

Biological systems are driven by intricate interactions among the complex array of molecules that comprise the cell. Many methods have been developed to reconstruct network models of those interactions. These methods often draw on large…

Molecular Networks · Quantitative Biology 2018-06-29 Marieke Lydia Kuijjer , Matthew Tung , GuoCheng Yuan , John Quackenbush , Kimberly Glass

Predictive models that generalize well under distributional shift are often desirable and sometimes crucial to building robust and reliable machine learning applications. We focus on distributional shift that arises in causal inference from…

Machine Learning · Statistics 2018-02-27 Fredrik D. Johansson , Nathan Kallus , Uri Shalit , David Sontag

Data-driven algorithm design is a paradigm that uses statistical and machine learning techniques to select from a class of algorithms for a computational problem an algorithm that has the best expected performance with respect to some…

Machine Learning · Computer Science 2024-06-05 Hongyu Cheng , Sammy Khalife , Barbara Fiedorowicz , Amitabh Basu

The goal of Science is to understand phenomena and systems in order to predict their development and gain control over them. In the scientific process of knowledge elaboration, a crucial role is played by models which, in the language of…

Statistical Mechanics · Physics 2018-10-25 Marco Baldovin , Fabio Cecconi , Massimo Cencini , Andrea Puglisi , Angelo Vulpiani

Data-driven methods play an increasingly important role in discovering geometric, structural, and semantic relationships between 3D shapes in collections, and applying this analysis to support intelligent modeling, editing, and…

Graphics · Computer Science 2015-02-25 Kai Xu , Vladimir G. Kim , Qixing Huang , Evangelos Kalogerakis

Machine learning methods can detect complex relationships between variables, but usually do not exploit domain knowledge. This is a limitation because in many scientific disciplines, such as systems biology, domain knowledge is available in…

Artificial Intelligence · Computer Science 2023-07-31 Bastian Pfeifer , Hubert Baniecki , Anna Saranti , Przemyslaw Biecek , Andreas Holzinger

Vanderweele and Knol define biological interaction as an instance wherein "two exposures physically interact to bring about the outcome." A hallmark of biological interaction is that the total effect, produced when factors act together,…

Applications · Statistics 2023-10-06 David M. Thompson , Yan Daniel Zhao

AI algorithms have become valuable in aiding professionals in healthcare. The increasing confidence obtained by these models is helpful in critical decision demands. In clinical dermatology, classification models can detect malignant…

In science, we are interested not only in forecasting but also in understanding how predictions are made, specifically what the interpretable underlying model looks like. Data-driven machine learning technology can significantly streamline…

Symbolic Computation · Computer Science 2025-05-29 Weiting Liu , Jiaxu Cui , Jiao Hu , En Wang , Bo Yang

Heterogeneous molecular entities and their interactions, commonly depicted as a network, are crucial for advancing our systems-level understanding of biology. With recent advancements in high-throughput data generation and a significant…

Quantitative Methods · Quantitative Biology 2026-03-18 Kishan KC , Rui Li , Paribesh Regmi , Anne R. Haake

The data-driven models allow one to define the model structure in cases when a priori information is not sufficient to build other types of models. The possible way to obtain physical interpretation is the data-driven differential equation…

Neural and Evolutionary Computing · Computer Science 2019-06-11 Michail Maslyaev , Alexander Hvatov , Anna Kalyuzhnaya

The problem of model selection with a limited number of experimental trials has received considerable attention in cognitive science, where the role of experiments is to discriminate between theories expressed as computational models.…

Machine Learning · Computer Science 2023-03-07 Alexander Aushev , Aini Putkonen , Gregoire Clarte , Suyog Chandramouli , Luigi Acerbi , Samuel Kaski , Andrew Howes

A lot of deep learning (DL) research these days is mainly focused on improving quantitative metrics regardless of other factors. In human-centered applications, like skin lesion classification in dermatology, DL-driven clinical decision…

Image and Video Processing · Electrical Eng. & Systems 2023-09-01 Theodor Cheslerean-Boghiu , Melia-Evelina Fleischmann , Theresa Willem , Tobias Lasser

We propose generalized additive partial linear models for complex data which allow one to capture nonlinear patterns of some covariates, in the presence of linear components. The proposed method improves estimation efficiency and increases…

Statistics Theory · Mathematics 2014-05-26 Li Wang , Lan Xue , Annie Qu , Hua Liang