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Although machine learning has been successfully used to propose novel molecules that satisfy desired properties, it is still challenging to explore a large chemical space efficiently. In this paper, we present a conditional molecular design…

Machine Learning · Computer Science 2019-04-02 Seokho Kang , Kyunghyun Cho

We construct a unilateral lattice tiling of $\mathbb{R}^n$ into hypercubes of two differnet side lengths $p$ or $q$. This generalizes the Pythagorean tiling in $\mathbb{R}^2$. We also show that this tiling is unique up to symmetries, which…

Combinatorics · Mathematics 2022-06-08 Jakob Führer

In this paper, a criterion of MDS Euclidean self-orthogonal codes is presented. New MDS Euclidean self-dual codes and self-orthogonal codes are constructed via this criterion. In particular, among our constructions, for large square $q$,…

Information Theory · Computer Science 2019-10-01 Xiaolei Fang , Meiqing Liu , Jinquan Luo

In this paper we propose and analyze a new Multiscale Method for solving semi-linear elliptic problems with heterogeneous and highly variable coefficient functions. For this purpose we construct a generalized finite element basis that spans…

Numerical Analysis · Mathematics 2019-02-20 Patrick Henning , Axel Malqvist , Daniel Peterseim

A new type of experiment with joint considerations of quantitative and sequence factors is recently drawing much attention in medical science, bio-engineering, and many other disciplines. The input spaces of such experiments are…

Methodology · Statistics 2025-02-06 Yaping Wang , Sixu Liu , Qian Xiao

The field of complex self-assembly is moving toward the design of multi-particle structures consisting of thousands of distinct building blocks. To exploit the potential benefits of structures with such `addressable complexity,' we need to…

Soft Condensed Matter · Physics 2015-06-02 William M. Jacobs , Aleks Reinhardt , Daan Frenkel

This paper presents a new and efficient method for the construction of optimal designs for regression models with dependent error processes. In contrast to most of the work in this field, which starts with a model for a finite number of…

Methodology · Statistics 2015-11-06 Holger Dette , Maria Konstantinou , Anatoly Zhigljavsky

We propose a novel method that makes use of deep neural networks and gradient decent to perform automated design on complex real world engineering tasks. Our approach works by training a neural network to mimic the fitness function of a…

Machine Learning · Statistics 2017-10-31 Oliver Hennigh

Self-orthogonal codes have received great attention due to their important applications in quantum codes, LCD codes and lattices. Recently, several families of self-orthogonal codes containing the all-$1$ vector were constructed by…

Information Theory · Computer Science 2025-08-06 Yadi Wei , Jiaxin Wang , Fang-Wei Fu

Self-orthogonal codes are a subclass of linear codes that are contained within their dual codes. Since self-orthogonal codes are widely used in quantum codes, lattice theory and linear complementary dual (LCD) codes, they have received…

Information Theory · Computer Science 2024-11-12 Yaozong Zhang , Dabin Zheng , Xiaoqiang Wang

Data extraction algorithms on data hypercubes, or datacubes, are traditionally only capable of cutting boxes of data along the datacube axes. For many use cases however, this is not a sufficient approach and returns more data than users…

Information Retrieval · Computer Science 2023-06-21 Mathilde Leuridan , James Hawkes , Simon Smart , Emanuele Danovaro , Tiago Quintino

High-fidelity physics simulations are powerful tools in the design and optimization of charged particle accelerators. However, the computational burden of these simulations often limits their use in practice for design optimization and…

Accelerator Physics · Physics 2020-04-15 Auralee Edelen , Nicole Neveu , Yannick Huber , Mattias Frey , Christopher Mayes , Andreas Adelmann

Computer experiments are often performed to allow modeling of a response surface of a physical experiment that can be too costly or difficult to run except using a simulator. Running the experiment over a dense grid can be prohibitively…

Applications · Statistics 2009-05-25 Robert B. Gramacy , Herbert K. H. Lee

We show that the sets of $d$-dimensional Latin hypercubes over a non-empty set $X$, with $d$ running over the positive integers, determine an operad which is isomorphic to a sub-operad of the endomorphism operad of $X$. We generalise this…

Combinatorics · Mathematics 2025-08-06 Markus Linckelmann

We give a method to construct deep holes for elliptic curve codes. For long elliptic curve codes, we conjecture that our construction is complete in the sense that it gives all deep holes. Some evidence and heuristics on the completeness…

Information Theory · Computer Science 2022-07-27 Jun Zhang , Daqing Wan

In this study, we investigate the construction of quantum CSS duadic codes with dimensions greater than one. We introduce a method for extending smaller splittings of quantum duadic codes to create larger, potentially degenerate quantum…

We present a method for improving the efficiency and user experience of freeform illumination design with machine learning. By utilizing orthogonal polynomials to interface with artificial neural networks, we are able to generalize…

Machine Learning · Computer Science 2019-03-28 Caleb Gannon , Rongguang Liang

The numerical performance of algorithms can be studied using test sets or procedures that generate such problems. This paper proposes various methods for generating linear, semidefinite, and second-order cone optimization problems.…

Optimization and Control · Mathematics 2023-02-03 Mohammadhossein Mohammadisiahroudi , Ramin Fakhimi , Brandon Augustino , Tamás Terlaky

In recent years, we are seeing the formulation and use of elaborate and complex models in ecological studies. The questions related to the efficient, systematic and error-proof exploration of parameter spaces are of great importance to…

Quantitative Methods · Quantitative Biology 2015-07-08 André Chalom , Paulo Inácio de Knegt López de Prado

We apply a new approach to the reverse protein folding problem. Our method uses a minimization function in the design process which is different from the energy function used for folding. For a lattice model, we show that this new approach…

Condensed Matter · Physics 2009-10-28 J. M. Deutsch , Tanya Kurosky