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The theoretical computation of isotopic distribution of compounds is crucial in many important applications of mass spectrometry, especially as machine precision grows. A considerable amount of good tools have been created in the last…

Computational Engineering, Finance, and Science · Computer Science 2020-04-17 Patrick Kreitzberg , Jake Pennington , Kyle Lucke , Oliver Serang

The main contribution of this paper is the development of a new decision tree algorithm. The proposed approach allows users to guide the algorithm through the data partitioning process. We believe this feature has many applications but in…

Machine Learning · Statistics 2020-10-27 Cédric Beaulac , Jeffrey S. Rosenthal

Shelves are commonly used to store objects in homes, stores, and warehouses. We formulate the problem of Optimal Shelf Arrangement (OSA), where the goal is to optimize the arrangement of objects on a shelf for access time given an access…

Robotics · Computer Science 2022-06-20 Lawrence Yunliang Chen , Huang Huang , Michael Danielczuk , Jeffrey Ichnowski , Ken Goldberg

We study the data selection problem, whose aim is to select a small representative subset of data that can be used to efficiently train a machine learning model. We present a new data selection approach based on $k$-means clustering and…

Sparse decision tree optimization has been one of the most fundamental problems in AI since its inception and is a challenge at the core of interpretable machine learning. Sparse decision tree optimization is computationally hard, and…

Machine Learning · Computer Science 2022-07-07 Hayden McTavish , Chudi Zhong , Reto Achermann , Ilias Karimalis , Jacques Chen , Cynthia Rudin , Margo Seltzer

We initiate a study of algorithms with a focus on the computational complexity of individual elements, and introduce the fragile complexity of comparison-based algorithms as the maximal number of comparisons any individual element takes…

Data Structures and Algorithms · Computer Science 2019-09-04 Peyman Afshani , Rolf Fagerberg , David Hammer , Riko Jacob , Irina Kostitsyna , Ulrich Meyer , Manuel Penschuck , Nodari Sitchinava

Let $n$ denote the number of elements currently in a data structure. An in-place heap is stored in the first $n$ locations of an array, uses $O(1)$ extra space, and supports the operations: minimum, insert, and extract-min. We introduce an…

Data Structures and Algorithms · Computer Science 2014-07-15 Stefan Edelkamp , Jyrki Katajainen , Amr Elmasry

We consider iterative (`turbo') algorithms for compressed sensing. First, a unified exposition of the different approaches available in the literature is given, thereby enlightening the general principles and main differences. In particular…

Information Theory · Computer Science 2017-05-22 Robert F. H. Fischer , Susanne Sparrer

We introduce a sorting machine consisting of $k+1$ stacks in series: the first $k$ stacks can only contain elements in decreasing order from top to bottom, while the last one has the opposite restriction. This device generalizes \cite{SM},…

Data Structures and Algorithms · Computer Science 2019-10-10 Giulio Cerbai , Lapo Cioni , Luca Ferrari

We consider the problem of partial order production: arrange the elements of an unknown totally ordered set T into a target partially ordered set S, by comparing a minimum number of pairs in T. Special cases include sorting by comparisons,…

Data Structures and Algorithms · Computer Science 2010-05-06 Jean Cardinal , Samuel Fiorini , Gwenaël Joret , Raphaël M. Jungers , J. Ian Munro

The top-k operation, i.e., finding the k largest or smallest elements from a collection of scores, is an important model component, which is widely used in information retrieval, machine learning, and data mining. However, if the top-k…

Machine Learning · Computer Science 2020-02-19 Yujia Xie , Hanjun Dai , Minshuo Chen , Bo Dai , Tuo Zhao , Hongyuan Zha , Wei Wei , Tomas Pfister

Sorting is one of the most basic primitives in many algorithms and data analysis tasks. Comparison-based sorting algorithms, like quick-sort and merge-sort, are known to be optimal when the outcome of each comparison is error-free. However,…

Data Structures and Algorithms · Computer Science 2025-05-06 Ragesh Jaiswal , Amit Kumar , Jatin Yadav

Finding the set of the n items most dissimilar from each other out of a larger population becomes increasingly difficult and computationally expensive as either n or the population size grows large. Finding the set of the n most dissimilar…

Biomolecules · Quantitative Biology 2021-05-10 Felicity F. Nielson , Sean M. Colby , Ryan S. Renslow , Thomas O. Metz

Sparse decision trees are one of the most common forms of interpretable models. While recent advances have produced algorithms that fully optimize sparse decision trees for prediction, that work does not address policy design, because the…

Machine Learning · Computer Science 2022-10-27 Ali Behrouz , Mathias Lecuyer , Cynthia Rudin , Margo Seltzer

We explore the fundamental problem of sorting through the lens of learning-augmented algorithms, where algorithms can leverage possibly erroneous predictions to improve their efficiency. We consider two different settings: In the first…

Data Structures and Algorithms · Computer Science 2023-11-03 Xingjian Bai , Christian Coester

Decision tree optimization is fundamental to interpretable machine learning. The most popular approach is to greedily search for the best feature at every decision point, which is fast but provably suboptimal. Recent approaches find the…

Machine Learning · Computer Science 2025-11-19 Varun Babbar , Hayden McTavish , Cynthia Rudin , Margo Seltzer

The selection problem, where one wishes to locate the $k^{th}$ smallest element in an unsorted array of size $n$, is one of the basic problems studied in computer science. The main focus of this work is designing algorithms for solving the…

Data Structures and Algorithms · Computer Science 2012-08-30 Tsvi Kopelowitz , Nimrod Talmon

We study the problem of set discovery where given a few example tuples of a desired set, we want to find the set in a collection of sets. A challenge is that the example tuples may not uniquely identify a set, and a large number of…

Databases · Computer Science 2022-10-05 Arif Hasnat , Davood Rafiei

The problem of selecting a small, yet high quality subset of patterns from a larger collection of itemsets has recently attracted lot of research. Here we discuss an approach to this problem using the notion of decomposable families of…

Machine Learning · Computer Science 2020-06-18 Nikolaj Tatti , Hannes Heikinheimo

In the last twenty-five years (1990-2014), algorithmic advances in integer optimization combined with hardware improvements have resulted in an astonishing 200 billion factor speedup in solving Mixed Integer Optimization (MIO) problems. We…

Methodology · Statistics 2015-07-14 Dimitris Bertsimas , Angela King , Rahul Mazumder