A locally-built, LLM-digested index of recent arXiv papers in quant finance, geometry/topology, and statistical ML — keyword search served straight from SQLite on this machine.
New Bayesian optimization models for efficient material screening.
CTS machines improve screen development in printing industries, reducing costs and increasing profitability.
Computational materials screening studies require fast calculation of the properties of thousands of materials. The calculations are often performed with Density Functional Theory (DFT), but the necessary computer time sets limitations for the investigated material space. Therefore, the development of machine learning …
Future advancement of engineering applications is dependent on design of novel materials with desired properties. Enormous size of known chemical space necessitates use of automated high throughput screening to search the desired material. The high throughput screening uses quantum chemistry calculations to predict mat…
Develops a continuous compliance index for Islamic equity screening.
A new screening test for Lasso improves solution speed.
A major challenge in materials design is how to efficiently search the vast chemical design space to find the materials with desired properties. One effective strategy is to develop sampling algorithms that can exploit both explicit chemical knowledge and implicit composition rules embodied in the large materials datab…
Leveraging new data sources is a key step in accelerating the pace of materials design and discovery. To complement the strides in synthesis planning driven by historical, experimental, and computed data, we present an automated method for connecting scientific literature to synthesis insights. Starting from natural la…
Study improves materials discovery for high-entropy alloys using sparse linear models.
The paper develops methods to assess and correct model uncertainties in graphical models.
Machine learning predicts perovskite formability and classifies crystal structures.
New method finds graphene nanocrystals with reduced DFT calculations.
AutoQuant addresses cryptocurrency backtesting fragility by modeling execution costs and improving strategy selection.
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…
Active search is a learning paradigm for actively identifying as many members of a given class as possible. A critical target scenario is high-throughput screening for scientific discovery, such as drug or materials discovery. In this paper, we approach this problem in Bayesian decision framework. We first derive the B…
Gaussian processes model sparse data in astrophysics and chemistry.
In this paper, we presented a novel convolutional neural network framework for graph modeling, with the introduction of two new modules specially designed for graph-structured data: the -th order convolution operator and the adaptive filtering module. Importantly, our framework of High-order and Adaptive Graph Convo…
RaSE screens variables via random subspaces, identifying joint effects.
Data-driven approach discovers molecular photoswitches with separated electronic absorption bands.
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…
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…
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.
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…
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…
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…
Efficiently allocate budgets for LLM-assisted virtual screening to reduce costs.
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 .
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.
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…
Model shows screening for infectious disease is hard but Thompson sampling works well.
Unified framework for non-uniform materials evolving over time.
A new method reduces feature size in CRFs for faster training.
Study Einstein warped-product manifolds with specific curvature conditions.