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Computational molecular design requires binding arrangements that are not only energetically favorable but also chemically realizable. However, computational methods remain limited in directly recovering fragment pose pairs that can later…

Biomolecules · Quantitative Biology 2026-04-29 Jiyun Lee , You Kyoung Chung , Joonsuk Huh

We consider the problem of efficiently computing the derivative of the solution map of a convex cone program, when it exists. We do this by implicitly differentiating the residual map for its homogeneous self-dual embedding, and solving the…

Optimization and Control · Mathematics 2020-05-21 Akshay Agrawal , Shane Barratt , Stephen Boyd , Enzo Busseti , Walaa M. Moursi

In this article, we define and study a geometry and an order on the set of partitions of an even number of objects. One of the definitions involves the partition algebra, a structure of algebra on the set of such partitions depending on an…

Combinatorics · Mathematics 2016-11-01 Franck Gabriel

Region-specific linear models are widely used in practical applications because of their non-linear but highly interpretable model representations. One of the key challenges in their use is non-convexity in simultaneous optimization of…

Machine Learning · Statistics 2014-11-03 Hidekazu Oiwa , Ryohei Fujimaki

In this article we combine two developments in polynomial optimization. On the one hand, we consider nonnegativity certificates based on sums of nonnegative circuit polynomials, which were recently introduced by the second and the third…

Optimization and Control · Mathematics 2018-06-06 Mareike Dressler , Sadik Iliman , Timo de Wolff

Hidden convexity is a powerful idea in optimization: under the right transformations, nonconvex problems that are seemingly intractable can be solved efficiently using convex optimization. We introduce the notion of a Lagrangian dual…

Optimization and Control · Mathematics 2025-11-07 Venkat Chandrasekaran , Timothy Duff , Jose Israel Rodriguez , Kevin Shu

We study robust convex quadratic programs where the uncertain problem parameters can contain both continuous and integer components. Under the natural boundedness assumption on the uncertainty set, we show that the generic problems are…

Optimization and Control · Mathematics 2018-12-19 Areesh Mittal , Can Gokalp , Grani A. Hanasusanto

In polynomial optimization problems, nonnegativity constraints are typically handled using the sum of squares condition. This can be efficiently enforced using semidefinite programming formulations, or as more recently proposed by Papp and…

Optimization and Control · Mathematics 2022-06-14 Lea Kapelevich , Chris Coey , Juan Pablo Vielma

The combinatorial properties of partitions with various restrictions on their hooksets are explored. A connection with numerical semigroups extends current results on simultaneous s/t-cores. Conditions that suffice for a partition to…

Combinatorics · Mathematics 2010-11-17 William J. Keith , Rishi Nath

In this paper, "chance optimization" problems are introduced, where one aims at maximizing the probability of a set defined by polynomial inequalities. These problems are, in general, nonconvex and computationally hard. With the objective…

Optimization and Control · Mathematics 2015-05-12 Ashkan Jasour , Necdet Serhat Aybat , Constantino Lagoa

We discuss the application of random projections to conic programming: notably linear, second-order and semidefinite programs. We prove general approximation results on feasibility and optimality using the framework of formally real Jordan…

Optimization and Control · Mathematics 2021-01-13 Leo Liberti , Pierre-Louis Poirion , Ky Vu

This paper provides a theoretical and numerical investigation of a penalty decomposition scheme for the solution of optimization problems with geometric constraints. In particular, we consider some situations where parts of the constraints…

Optimization and Control · Mathematics 2023-03-23 Matteo Lapucci , Christian Kanzow

We propose a framework for modeling and solving low-rank optimization problems to certifiable optimality. We introduce symmetric projection matrices that satisfy $Y^2=Y$, the matrix analog of binary variables that satisfy $z^2=z$, to model…

Optimization and Control · Mathematics 2021-12-22 Dimitris Bertsimas , Ryan Cory-Wright , Jean Pauphilet

Set partitions are arrangements of distinct objects into groups. The problem of listing all set partitions arises in a variety of settings, in particular in combinatorial optimization tasks. After a brief review, we give practical…

Data Structures and Algorithms · Computer Science 2026-02-03 Arnav Khinvasara , Alexander Pikovski

We focus on two central themes in this dissertation. The first one is on decomposing polytopes and polynomials in ways that allow us to perform nonlinear optimization. We start off by explaining important results on decomposing a polytope…

Combinatorics · Mathematics 2016-05-18 Brandon Dutra

In the field of nonlinear mechanics, many challenging problems (e.g. plasticity, contact, masonry structures, nonlinear membranes) turn out to be expressible as conic programs. In general, such problems are non-smooth in nature (plasticity…

Optimization and Control · Mathematics 2022-02-03 Jeremy Bleyer

In order to verify programs or hybrid systems, one often needs to prove that certain formulas are unsatisfiable. In this paper, we consider conjunctions of polynomial inequalities over the reals. Classical algorithms for deciding these not…

Numerical Analysis · Mathematics 2009-02-02 David Monniaux

The paper presents complexity results and performance guaranties for a family of approximation algorithms for an optimisation problem arising in software testing and manufacturing. The problem is formulated as a partitioning of a set where…

Data Structures and Algorithms · Computer Science 2022-12-13 Yakov Zinder , Bertrand M. T. Lin , Joanna Berlińska

This material provides thorough tutorials on some optimization techniques frequently used in various engineering disciplines, including convex optimization, linearization techniques and mixed-integer linear programming, robust optimization,…

Optimization and Control · Mathematics 2020-07-28 Wei Wei

We present a systematic, algebraically based, design methodology for efficient implementation of computer programs optimized over multiple levels of the processor/memory and network hierarchy. Using a common formalism to describe the…

Mathematical Software · Computer Science 2008-03-18 Lenore R. Mullin , James E. Raynolds
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