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While modern biotechnologies allow synthesizing new proteins and function measurements at scale, efficiently exploring a protein sequence space and engineering it remains a daunting task due to the vast sequence space of any given protein.…

Biomolecules · Quantitative Biology 2024-01-15 Jiahao Qiu , Hui Yuan , Jinghong Zhang , Wentao Chen , Huazheng Wang , Mengdi Wang

While chain-of-thought prompting with Best-of-N (BoN) selection has become popular for mathematical reasoning in large language models (LLMs), its linear structure fails to capture the branching and exploratory nature of complex…

Machine Learning · Computer Science 2025-10-24 Tristan Cinquin , Geoff Pleiss , Agustinus Kristiadi

Given a weighted, ordered query set $Q$ and a partition of $Q$ into classes, we study the problem of computing a minimum-cost decision tree that, given any query $q$ in $Q$, uses equality tests and less-than comparisons to determine the…

Data Structures and Algorithms · Computer Science 2025-01-28 Marek Chrobak , Neal E. Young

Neural networks and tree ensembles are state-of-the-art learners, each with its unique statistical and computational advantages. We aim to combine these advantages by introducing a new layer for neural networks, composed of an ensemble of…

Machine Learning · Computer Science 2020-07-14 Hussein Hazimeh , Natalia Ponomareva , Petros Mol , Zhenyu Tan , Rahul Mazumder

We propose an algorithm named best-scored random forest for binary classification problems. The terminology "best-scored" means to select the one with the best empirical performance out of a certain number of purely random tree candidates…

Machine Learning · Statistics 2019-05-28 Hanyuan Hang , Xiaoyu Liu , Ingo Steinwart

Recently proposed budding tree is a decision tree algorithm in which every node is part internal node and part leaf. This allows representing every decision tree in a continuous parameter space, and therefore a budding tree can be jointly…

Machine Learning · Computer Science 2014-12-22 Ozan İrsoy , Ethem Alpaydın

While much of the work in the design of convolutional networks over the last five years has revolved around the empirical investigation of the importance of depth, filter sizes, and number of feature channels, recent studies have shown that…

Machine Learning · Computer Science 2017-12-08 Karim Ahmed , Lorenzo Torresani

This paper proposes Branch & Learn, a framework for Predict+Optimize to tackle optimization problems containing parameters that are unknown at the time of solving. Given an optimization problem solvable by a recursive algorithm satisfying…

Machine Learning · Computer Science 2022-05-05 Xinyi Hu , Jasper C. H. Lee , Jimmy H. M. Lee , Allen Z. Zhong

Dynamic regression trees are an attractive option for automatic regression and classification with complicated response surfaces in on-line application settings. We create a sequential tree model whose state changes in time with the…

Methodology · Statistics 2010-11-23 Matthew A. Taddy , Robert B. Gramacy , Nicholas G. Polson

The classical branch-and-bound algorithm for the integer feasibility problem has exponential worst case complexity. We prove that it is surprisingly efficient on reformulated problems, in which the columns of the constraint matrix are…

Optimization and Control · Mathematics 2009-08-06 Gabor Pataki , Mustafa Tural

In this paper, we propose a stochastic search algorithm for solving general optimization problems with little structure. The algorithm iteratively finds high quality solutions by randomly sampling candidate solutions from a parameterized…

Optimization and Control · Mathematics 2013-01-08 Enlu Zhou , Jiaqiao Hu

Algorithms with (machine-learned) predictions is a powerful framework for combining traditional worst-case algorithms with modern machine learning. However, the vast majority of work in this space assumes that the prediction itself is…

Machine Learning · Computer Science 2024-11-26 Michael Dinitz , Sungjin Im , Thomas Lavastida , Benjamin Moseley , Aidin Niaparast , Sergei Vassilvitskii

Decision tree learning is increasingly being used for pointwise inference. Important applications include causal heterogenous treatment effects and dynamic policy decisions, as well as conditional quantile regression and design of…

Machine Learning · Statistics 2024-02-08 Matias D. Cattaneo , Jason M. Klusowski , Peter M. Tian

Phylogenetic trees are leaf-labelled trees used to model the evolution of species. In practice it is not uncommon to obtain two topologically distinct trees for the same set of species, and this motivates the use of distance measures to…

Data Structures and Algorithms · Computer Science 2026-03-24 David Mestel , Steven Chaplick , Steven Kelk , Ruben Meuwese

We consider the problem of learning the structure of undirected graphical models with bounded treewidth, within the maximum likelihood framework. This is an NP-hard problem and most approaches consider local search techniques. In this…

Machine Learning · Computer Science 2012-12-12 K. S. Sesh Kumar , Francis Bach

The {\sc Directed Maximum Leaf Out-Branching} problem is to find an out-branching (i.e. a rooted oriented spanning tree) in a given digraph with the maximum number of leaves. In this paper, we improve known parameterized algorithms and…

Data Structures and Algorithms · Computer Science 2007-07-10 Noga Alon , Fedor V. Fomin , Gregory Gutin , Michael Krivelevich , Saket Saurabh

Decision trees are widely used for non-linear modeling, as they capture interactions between predictors while producing inherently interpretable models. Despite their popularity, performing inference on the non-linear fit remains largely…

Methodology · Statistics 2026-04-14 Soham Bakshi , Snigdha Panigrahi

Combinatorial optimisation problems framed as mixed integer linear programmes (MILPs) are ubiquitous across a range of real-world applications. The canonical branch-and-bound algorithm seeks to exactly solve MILPs by constructing a search…

Machine Learning · Computer Science 2023-03-16 Christopher W. F. Parsonson , Alexandre Laterre , Thomas D. Barrett

We study the problem of learning a hierarchical tree representation of data from labeled samples, taken from an arbitrary (and possibly adversarial) distribution. Consider a collection of data tuples labeled according to their hierarchical…

Machine Learning · Computer Science 2023-02-10 Dmitrii Avdiukhin , Grigory Yaroslavtsev , Danny Vainstein , Orr Fischer , Sauman Das , Faraz Mirza

In recent years, significant progress has been made on algorithms for learning optimal decision trees, primarily in the context of binary features. Extending these methods to continuous features remains substantially more challenging due to…

Machine Learning · Computer Science 2026-01-22 Harold Kiossou , Pierre Schaus , Siegfried Nijssen
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