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Accurate approximations to density functionals have recently been obtained via machine learning (ML). By applying ML to a simple function of one variable without any random sampling, we extract the qualitative dependence of errors on…

Computational Physics · Physics 2015-01-29 Kevin Vu , John Snyder , Li Li , Matthias Rupp , Brandon F. Chen , Tarek Khelif , Klaus-Robert Müller , Kieron Burke

Designing neural networks within a Hamiltonian framework offers a principled way to ensure that conservation laws are respected in physical systems. While promising, these capabilities have been largely limited to discrete, analytically…

Machine Learning · Computer Science 2025-09-30 Anthony Zhou , Amir Barati Farimani

This paper looks at effects, due to the boundary, on inference in logistic regression. It shows that first -- and, indeed, higher -- order asymptotic results are not uniform across the model. Near the boundary, effects such as high…

Methodology · Statistics 2013-04-08 Karim Anaya-Izquierdo , Frank Critchley , Paul Marriott

Advances of modern sensing and sequencing technologies generate a deluge of high dimensional space-temporal physiological and next-generation sequencing (NGS) data. Physiological traits are observed either as continuous random functions, or…

Genomics · Quantitative Biology 2014-10-28 D. Y. Lee , C. Hanis , G. I. Bell , D. A. Aguilar , S. Redline , J. Below , M. M. Xiong

Gene regulatory networks (GRN) govern phenotypic adaptations and reflect the trade-offs between physiological responses and evolutionary adaptation that act at different time scales. To identify patterns of molecular function and genetic…

The potential of synthetic biology techniques for designing complex cellular circuits able to solve complicated computations opens a whole domain of exploration, beyond experiments and theory. Such cellular circuits could be used to carry…

Neurons and Cognition · Quantitative Biology 2013-10-21 Luís F. Seoane , Ricard V. Solé

The behaviour of gene regulatory networks (GRNs) is typically analysed using simulation-based statistical testing-like methods. In this paper, we demonstrate that we can replace this approach by a formal verification-like method that gives…

Computational Engineering, Finance, and Science · Computer Science 2015-01-19 Mirco Giacobbe , Calin C. Guet , Ashutosh Gupta , Thomas A. Henzinger , Tiago Paixao , Tatjana Petrov

We propose estimators based on kernel ridge regression for nonparametric causal functions such as dose, heterogeneous, and incremental response curves. Treatment and covariates may be discrete or continuous in general spaces. Due to a…

Econometrics · Economics 2022-10-25 Rahul Singh , Liyuan Xu , Arthur Gretton

We present the discrete infinite logistic normal distribution (DILN), a Bayesian nonparametric prior for mixed membership models. DILN is a generalization of the hierarchical Dirichlet process (HDP) that models correlation structure between…

Machine Learning · Statistics 2015-03-19 John Paisley , Chong Wang , David Blei

Recent studies on Graph Neural Networks(GNNs) provide both empirical and theoretical evidence supporting their effectiveness in capturing structural patterns on both homophilic and certain heterophilic graphs. Notably, most real-world…

Machine Learning · Computer Science 2023-10-17 Haitao Mao , Zhikai Chen , Wei Jin , Haoyu Han , Yao Ma , Tong Zhao , Neil Shah , Jiliang Tang

In quantum materials, basic observables such as spectral functions and susceptibilities are determined by Green's functions and their complex quasiparticle spectrum rather than by bare electrons. Even in closed many-body systems, this makes…

Mesoscale and Nanoscale Physics · Physics 2024-10-22 Carl Lehmann , Tommaso Micallo , Jan Carl Budich

Graph neural networks (GNNs) are widely used in domains like social networks and biological systems. However, the locality assumption of GNNs, which limits information exchange to neighboring nodes, hampers their ability to capture…

Machine Learning · Computer Science 2023-07-04 Tingting Dan , Jiaqi Ding , Ziquan Wei , Shahar Z Kovalsky , Minjeong Kim , Won Hwa Kim , Guorong Wu

Preferential attachment is widely used to model power-law behavior of degree distributions in both directed and undirected networks. Practical analyses on the tail exponent of the power-law degree distribution use the Hill estimator as one…

Probability · Mathematics 2017-11-17 Tiandong Wang , Sidney Resnick

Spin glass models, such as the Sherrington-Kirkpatrick, Hopfield and Ising models, are all well-studied members of the exponential family of discrete distributions, and have been influential in a number of application domains where they are…

Machine Learning · Statistics 2020-03-19 Constantinos Daskalakis , Nishanth Dikkala , Ioannis Panageas

We show that for unconstrained Deep Linear Discriminant Analysis (LDA) classifiers, maximum-likelihood training admits pathological solutions in which class means drift together, covariances collapse, and the learned representation becomes…

Machine Learning · Statistics 2026-01-06 Maxat Tezekbayev , Rustem Takhanov , Arman Bolatov , Zhenisbek Assylbekov

Graph neural networks (GNNs) are a class of neural networks that allow to efficiently perform inference on data that is associated to a graph structure, such as, e.g., citation networks or knowledge graphs. While several variants of GNNs…

Neural and Evolutionary Computing · Computer Science 2018-02-27 Simone Scardapane , Steven Van Vaerenbergh , Danilo Comminiello , Aurelio Uncini

We study a matrix model of RNA in which an external perturbation acts on n nucleotides of the polymer chain. The effect of the perturbation appears in the exponential generating function of the partition function as a factor…

Biomolecules · Quantitative Biology 2015-05-13 I. Garg , N. Deo

Gene regulatory networks (GRNs) control cellular function and decision making during tissue development and homeostasis. Mathematical tools based on dynamical systems theory are often used to model these networks, but the size and…

Molecular Networks · Quantitative Biology 2018-03-16 Edgar Herrera-Delgado , Ruben Perez-Carrasco , James Briscoe , Peter Sollich

Background: Previous studies have used different methods in an effort to extract the modular organization of transcriptional regulatory networks (TRNs). However, these approaches are not natural, as they try to cluster highly connected…

Molecular Networks · Quantitative Biology 2014-05-26 Julio A. Freyre-González , José A. Alonso-Pavón , Luis G. Treviño-Quintanilla , Julio Collado-Vides

The switch-like character of gene regulation has motivated the use of hybrid, discrete-continuous models of genetic regulatory networks. While powerful techniques for the analysis, verification, and control of hybrid systems have been…

Quantitative Methods · Quantitative Biology 2016-08-14 Grégory Batt , Delphine Ropers , Hidde De Jong , Michel Page , Johannes Geiselmann