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Fractional factorial designs are widely used for designing screening experiments. Nonregular fractional factorial designs can have better properties than regular designs, but their construction is challenging. Current research on the…
Multimodal learning seeks to combine data from multiple input sources to enhance the performance of different downstream tasks. In real-world scenarios, performance can degrade substantially if some input modalities are missing. Existing…
The Mixture of Experts (MoE) has emerged as a highly successful technique in deep learning, based on the principle of divide-and-conquer to maximize model capacity without significant additional computational cost. Even in the era of…
In reaction path optimization, such as the calculation of a minimum energy path (MEP) between given reactant and product configurations of atoms, it is advantageous to start with an initial guess where close proximity of atoms is avoided…
Envelope tests are a popular tool in spatial statistics, where they are used in goodness-of-fit testing. These tests graphically compare an empirical function $T(r)$ with its simulated counterparts from the null model. However, the type I…
Constructing fast and accurate surrogate models is a key ingredient for making robust predictions in many topics. We introduce a new model, the Multiparameter Eigenvalue Problem (MEP) emulator. The new method connects emulators and can make…
We introduce and explore an approach for constructing force fields for small molecules, which combines intuitive low body order empirical force field terms with the concepts of data driven statistical fits of recent machine learned…
Orthogonal surfaces are nice mathematical objects which have interesting connections to various fields, e.g., integer programming, monomial ideals and order dimension. While orthogonal surfaces in one or two dimensions are rather trivial…
We apply an orthogonalization procedure on the effective field theory of large scale structure (EFT of LSS) shapes, relevant for the angle-averaged bispectrum and non-Gaussian covariance of the matter power spectrum at one loop. Assuming…
We present a framework for synthesising formulas in first-order logic (FOL) from examples, which unifies and advances state-of-the-art approaches for inference of transition system invariants. To do so, we study and categorise the existing…
In one-class classification problems, only the data for the target class is available, whereas the data for the non-target class may be completely absent. In this paper, we study one-class nearest neighbour (OCNN) classifiers and their…
We present a detailed numerical study of the orthogonality catastrophe exponent for a one-dimensional lattice model of spinless fermions with nearest neighbor interaction using the density matrix remormalization group algorithm. Keeping up…
A prescription is presented for the interpolation between multi-dimensional distribution templates based on one or multiple model parameters. The technique uses a linear combination of templates, each created using fixed values of the…
For large-scale eigenvalue problems requiring many mutually orthogonal eigenvectors, traditional numerical methods suffer substantial computational and communication costs with limited parallel scalability, primarily due to explicit…
This article proposes different tests for treatment effect heterogeneity when the outcome of interest, typically a duration variable, may be right-censored. The proposed tests study whether a policy 1) has zero distributional (average)…
Multivariate meta-analysis can be adapted to a wide range of situations for multiple outcomes and multiple treatment groups when combining studies together. The within-study correlation between effect sizes is often assumed known in…
Exponents and logarithms are fundamental components in many important applications such as logistic regression, maximum likelihood, relative entropy, and so on. Since the exponential cone can be viewed as the epigraph of perspective of the…
Many complex real-world tasks are composed of several levels of sub-tasks. Humans leverage these hierarchical structures to accelerate the learning process and achieve better generalization. In this work, we study the inductive bias and…
We introduce the proper orthogonal descriptors for efficient and accurate interatomic potentials of multi-element chemical systems. The potential energy surface of a multi-element system is represented as a many-body expansion of…
I propose a locally robust semiparametric framework for estimating causal effects using the popular examiner IV design, in the presence of many examiners and possibly many covariates relative to the sample size. The key ingredient of this…