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Tree ensembles are non-parametric methods widely recognized for their accuracy and ability to capture complex interactions. While these models excel at prediction, they are difficult to interpret and may fail to uncover useful relationships…

机器学习 · 统计学 2026-04-01 Brian Liu , Rahul Mazumder , Peter Radchenko

Motivation: Navigating the high dimensional space of discrete trees for phylogenetics presents a challenging problem for tree optimisation. To address this, hyperbolic embeddings of trees offer a promising approach to encoding trees…

种群与进化 · 定量生物学 2023-09-22 Matthew Macaulay , Mathieu Fourment

In recent years, multicalibration has emerged as a desirable learning objective for ensuring that a predictor is calibrated across a rich collection of overlapping subpopulations. Existing approaches typically achieve multicalibration by…

机器学习 · 计算机科学 2025-05-26 Hongyi Henry Jin , Zijun Ding , Dung Daniel Ngo , Zhiwei Steven Wu

A tremendous range of design tasks in materials, physics, and biology can be formulated as finding the optimum of an objective function depending on many parameters without knowing its closed-form expression or the derivative. Traditional…

机器学习 · 计算机科学 2024-04-08 Ye Wei , Bo Peng , Ruiwen Xie , Yangtao Chen , Yu Qin , Peng Wen , Stefan Bauer , Po-Yen Tung

We consider optimal transport based distributionally robust optimization (DRO) problems with locally strongly convex transport cost functions and affine decision rules. Under conventional convexity assumptions on the underlying loss…

最优化与控制 · 数学 2021-04-27 Jose Blanchet , Karthyek Murthy , Fan Zhang

Mathematical modeling is a standard approach to solve many real-world problems and {\em diversity} of solutions is an important issue, emerging in applying solutions obtained from mathematical models to real-world problems. Many studies…

数据结构与算法 · 计算机科学 2020-12-15 Tesshu Hanaka , Yasuaki Kobayashi , Kazuhiro Kurita , Yota Otachi

Metabolites, small molecules that are involved in cellular reactions, provide a direct functional signature of cellular state. Untargeted metabolomics experiments usually relies on tandem mass spectrometry to identify the thousands of…

定量方法 · 定量生物学 2015-01-29 Kai Dührkop , Sebastian Böcker

In this paper we construct spanning trees in hyperbolic graphs that represent their hyperbolic compactification in a good way: so that the tree has a bounded number of distinct rays to each boundary point. The bound depends only on the…

组合数学 · 数学 2013-01-31 Matthias Hamann

We consider the problem of minimizing a high-dimensional objective function, which may include a regularization term, using (possibly noisy) evaluations of the function. Such optimization is also called derivative-free, zeroth-order, or…

最优化与控制 · 数学 2023-03-20 HanQin Cai , Daniel Mckenzie , Wotao Yin , Zhenliang Zhang

The hyperbolicity of a graph, informally, measures how close a graph is (metrically) to a tree. Hence, it is intuitively similar to treewidth, but the measures are formally incomparable. Motivated by the broad study of algorithms and…

数据结构与算法 · 计算机科学 2023-10-18 Sándor Kisfaludi-Bak , Jana Masaříková , Erik Jan van Leeuwen , Bartosz Walczak , Karol Węgrzycki

We study optimal transport between probability measures supported on the same finite metric space, where the ground cost is a distance induced by a weighted connected graph. Building on recent work showing that the resulting Kantorovich…

最优化与控制 · 数学 2026-01-14 Jérémie Bigot , Luis Fredes

Decision trees are renowned for their ability to achieve high predictive performance while remaining interpretable, especially on tabular data. Traditionally, they are constructed through recursive algorithms, where they partition the data…

机器学习 · 计算机科学 2024-08-27 Yufan Zhuang , Liyuan Liu , Chandan Singh , Jingbo Shang , Jianfeng Gao

We present a formal analysis, in Isabelle/HOL, of optimisation algorithms for matroids, which are useful generalisations of combinatorial structures that occur in optimisation, and greedoids, which are a generalisation of matroids. Although…

计算机科学中的逻辑 · 计算机科学 2025-07-01 Mohammad Abdulaziz , Thomas Ammer , Shriya Meenakshisundaram , Adem Rimpapa

Many graph processing algorithms require determination of shortest-path distances between arbitrary numbers of node pairs. Since computation of exact distances between all node-pairs of a large graph, e.g., 10M nodes and up, is…

社会与信息网络 · 计算机科学 2014-04-22 Deepak Ajwani , W. Sean Kennedy , Alessandra Sala , Iraj Saniee

Given a connected, undirected graph whose edges are labelled (or coloured), the minimum labelling spanning tree (MLST) problem seeks a spanning tree whose edges have the smallest number of distinct labels (or colours). In recent work, the…

最优化与控制 · 数学 2014-03-05 Sergio Consoli , Nenad Mladenovic , Jose Andres Moreno-Perez

Computing an optimal classification tree that provably maximizes training performance within a given size limit, is NP-hard, and in practice, most state-of-the-art methods do not scale beyond computing optimal trees of depth three.…

机器学习 · 计算机科学 2025-01-15 Catalin E. Brita , Jacobus G. M. van der Linden , Emir Demirović

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…

机器学习 · 计算机科学 2025-11-19 Varun Babbar , Hayden McTavish , Cynthia Rudin , Margo Seltzer

The rapid advancement of large language models (LLMs) has enabled significant strides in various fields. This paper introduces a novel approach to evaluate the effectiveness of LLM embeddings in the context of inherent geometric properties.…

计算几何 · 计算机科学 2025-12-29 Prakash Chourasia , Sarwan Ali , Murray Patterson

While traditional distributionally robust optimization (DRO) aims to minimize the maximal risk over a set of distributions, Agarwal and Zhang (2022) recently proposed a variant that replaces risk with excess risk. Compared to DRO, the new…

最优化与控制 · 数学 2024-05-29 Lijun Zhang , Haomin Bai , Wei-Wei Tu , Ping Yang , Yao Hu

To cope with fast-fluctuating distributed energy resources (DERs) and uncontrolled loads, this paper formulates a time-varying optimization problem for distribution grids with DERs and develops a novel non-iterative algorithm to track the…

系统与控制 · 电气工程与系统科学 2024-10-28 J. Wu , M. Liu , W. Lu , K. Xie , M. Xie