New Bayesian optimization models for efficient material screening.
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Efficiently allocate budgets for LLM-assisted virtual screening to reduce costs.
New algorithms speed up learning from large screens of proteins.
This paper treats the problem of screening for variables with high correlations in high dimensional data in which there can be many fewer samples than variables. We focus on threshold-based correlation screening methods for three related applications: screening for variables with large correlations within a single trea…
Deep neural network identifies potential SARS-CoV-2 inhibitors.
Recently, to solve large-scale lasso and group lasso problems, screening rules have been developed, the goal of which is to reduce the problem size by efficiently discarding zero coefficients using simple rules independently of the others. However, screening for overlapping group lasso remains an open challenge because…
This paper studies large-scale dynamical networks where the current state of the system is a linear transformation of the previous state, contaminated by a multivariate Gaussian noise. Examples include stock markets, human brains and gene regulatory networks. We introduce a transition matrix to describe the evolution, …
Paper introduces slow kill for efficient large-scale variable screening.
Robust support vector machine (RSVM) has been shown to perform remarkably well to improve the generalization performance of support vector machine under the noisy environment. Unfortunately, in order to handle the non-convexity induced by ramp loss in RSVM, existing RSVM solvers often adopt the DC programming framework…
Submodular functions are discrete analogs of convex functions, which have applications in various fields, including machine learning and computer vision. However, in large-scale applications, solving Submodular Function Minimization (SFM) problems remains challenging. In this paper, we make the first attempt to extend …
A new method reduces feature size in CRFs for faster training.
A new distributed method speeds up sparse model training.
Screening and working set techniques are important approaches to reducing the size of an optimization problem. They have been widely used in accelerating first-order methods for solving large-scale sparse learning problems. In this paper, we develop a new screening method called Newton screening (NS) which is a general…
Lasso is a widely used regression technique to find sparse representations. When the dimension of the feature space and the number of samples are extremely large, solving the Lasso problem remains challenging. To improve the efficiency of solving large-scale Lasso problems, El Ghaoui and his colleagues have proposed th…
ContrastiveVI+ models CRISPR screens with noisy guide efficiency.
Chemical space is so large that brute force searches for new interesting molecules are infeasible. High-throughput virtual screening via computer cluster simulations can speed up the discovery process by collecting very large amounts of data in parallel, e.g., up to hundreds or thousands of parallel measurements. Bayes…
High throughput screening of compounds (chemicals) is an essential part of drug discovery [7], involving thousands to millions of compounds, with the purpose of identifying candidate hits. Most statistical tools, including the industry standard B-score method, work on individual compound plates and do not exploit cross…
Research proposes a risk-free machine learning model for COVID screening from routine blood tests.
The support vector machine (SVM) is a widely used method for classification. Although many efforts have been devoted to develop efficient solvers, it remains challenging to apply SVM to large-scale problems. A nice property of SVM is that the non-support vectors have no effect on the resulting classifier. Motivated by …
Vision impairment due to pathological damage of the retina can largely be prevented through periodic screening using fundus color imaging. However the challenge with large scale screening is the inability to exhaustively detect fine blood vessels crucial to disease diagnosis. In this work we present a computational ima…
RaSE screens variables via random subspaces, identifying joint effects.
In conventional chemisorption model, the d-band center theory (augmented sometimes with the upper edge of d-band for imporved accuarcy) plays a central role in predicting adsorption energies and catalytic activity as a function of d-band center of the solid surfaces, but it requires density functional calculations that…
The problem of learning a sparse model is conceptually interpreted as the process of identifying active features/samples and then optimizing the model over them. Recently introduced safe screening allows us to identify a part of non-active features/samples. So far, safe screening has been individually studied either fo…
Statistical inference can be computationally prohibitive in ultrahigh-dimensional linear models. Correlation-based variable screening, in which one leverages marginal correlations for removal of irrelevant variables from the model prior to statistical inference, can be used to overcome this challenge. Prior works on co…
New screening rules improve lasso model fitting efficiency.
A new screening rule 'dynamic Sasvi' improves sparse optimization speed.
In the present paper, we introduce screen transversal lightlike submanifolds of metallic semi-Riemannian manifolds with its subclasses, namely screen transversal anti-invariant, radical screen transversal and isotropic screen transversal lightlike submanifolds, and give an example. We show that there do not exist co-is…
New AI platform screens portfolios for desirable firms and news.
A variable screening procedure via correlation learning was proposed Fan and Lv (2008) to reduce dimensionality in sparse ultra-high dimensional models. Even when the true model is linear, the marginal regression can be highly nonlinear. To address this issue, we further extend the correlation learning to marginal nonp…
Recent computational strategies based on screening tests have been proposed to accelerate algorithms addressing penalized sparse regression problems such as the Lasso. Such approaches build upon the idea that it is worth dedicating some small computational effort to locate inactive atoms and remove them from the dictio…
A new screening method for high-dimensional data reduces computational cost.
We study safe screening for metric learning. Distance metric learning can optimize a metric over a set of triplets, each one of which is defined by a pair of same class instances and an instance in a different class. However, the number of possible triplets is quite huge even for a small dataset. Our safe triplet scree…
In this paper we develop the notion of screen isoparametric hypersurface for null hypersurfaces of Robertson-Walker spacetimes. Using this formalism we derive Cartan identities for the screen principal curvatures of null screen hypersurfaces in Lorentzian space forms and provide a local characterization of such hypersu…
A new method for virtual drug screening detects top treatments.
A new screening rule improves lasso solving speed.
The lasso model has been widely used for model selection in data mining, machine learning, and high-dimensional statistical analysis. However, with the ultrahigh-dimensional, large-scale data sets now collected in many real-world applications, it is important to develop algorithms to solve the lasso that efficiently sc…
The main purpose of the present paper is to study the geometry of screen transversal lightlike submanifolds and radical screen transversal lightlike submanifolds and screen transversal anti-invariant lightlike submanifolds of Golden Semi-Riemannian manifolds. We investigate the geometry of distributions and obtain nece…
Machine learning methods may have the potential to significantly accelerate drug discovery. However, the increasing rate of new methodological approaches being published in the literature raises the fundamental question of how models should be benchmarked and validated. We reanalyze the data generated by a recently pub…
In data sets with many more features than observations, independent screening based on all univariate regression models leads to a computationally convenient variable selection method. Recent efforts have shown that in the case of generalized linear models, independent screening may suffice to capture all relevant feat…
Deep learning predicts breast cancer with high accuracy from patient data.
New rules reduce SLOPE model fitting time by screening out irrelevant variables.
A new method reduces feature screening cost from to .
Principal Component Analysis (PCA) is a dimension reduction technique. It produces inconsistent estimators when the dimensionality is moderate to high, which is often the problem in modern large-scale applications where algorithm scalability and model interpretability are difficult to achieve, not to mention the preval…
To find efficient screening methods for high dimensional linear regression models, this paper studies the relationship between model fitting and screening performance. Under a sparsity assumption, we show that a subset that includes the true submodel always yields smaller residual sum of squares (i.e., has better model…
Variable screening is a fast dimension reduction technique for assisting high dimensional feature selection. As a preselection method, it selects a moderate size subset of candidate variables for further refining via feature selection to produce the final model. The performance of variable screening depends on both com…
This paper introduces LR-FFS for robust feature screening in federated learning under label shift.
Model shows screening for infectious disease is hard but Thompson sampling works well.
Biodiversity monitoring using audio recordings is achievable at a truly global scale via large-scale deployment of inexpensive, unattended recording stations or by large-scale crowdsourcing using recording and species recognition on mobile devices. The ability, however, to reliably identify vocalising animal species is…