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Molecular conformation generation plays key roles in computational drug design. Recently developed deep learning methods, particularly diffusion models have reached competitive performance over traditional cheminformatical approaches.…

Machine Learning · Computer Science 2025-01-10 Yixuan Yang , Xingyu Fang , Zhaowen Cheng , Pengju Yan , Xiaolin Li

agtboost is an R package implementing fast gradient tree boosting computations in a manner similar to other established frameworks such as xgboost and LightGBM, but with significant decreases in computation time and required mathematical…

Machine Learning · Statistics 2020-08-31 Berent Ånund Strømnes Lunde , Tore Selland Kleppe

The main drawback of using generative AI models for advanced mathematics is that these models are not primarily logical reasoning engines. However, Large Language Models, and their refinements, can pick up on patterns in higher mathematics…

History and Overview · Mathematics 2025-12-19 Lisa Carbone

The work in ICML'09 showed that the derivatives of the classical multi-class logistic regression loss function could be re-written in terms of a pre-chosen "base class" and applied the new derivatives in the popular boosting framework. In…

Machine Learning · Computer Science 2022-06-28 Ping Li , Weijie Zhao

Quantum machine learning is among the most exciting potential applications of quantum computing. However, the vulnerability of quantum information to environmental noises and the consequent high cost for realizing fault tolerance has…

The influence of deep learning is continuously expanding across different domains, and its new applications are ubiquitous. The question of neural network design thus increases in importance, as traditional empirical approaches are reaching…

Neural and Evolutionary Computing · Computer Science 2021-01-29 Anton Muravev , Jenni Raitoharju , Moncef Gabbouj

Boosting is one of the most significant advances in machine learning for classification and regression. In its original and computationally flexible version, boosting seeks to minimize empirically a loss function in a greedy fashion. The…

Statistics Theory · Mathematics 2007-06-13 Tong Zhang , Bin Yu

The ability to learn new concepts continually is necessary in this ever-changing world. However, deep neural networks suffer from catastrophic forgetting when learning new categories. Many works have been proposed to alleviate this…

Computer Vision and Pattern Recognition · Computer Science 2022-07-21 Fu-Yun Wang , Da-Wei Zhou , Han-Jia Ye , De-Chuan Zhan

Gradient boosting is a prediction method that iteratively combines weak learners to produce a complex and accurate model. From an optimization point of view, the learning procedure of gradient boosting mimics a gradient descent on a…

Machine Learning · Computer Science 2022-11-30 Erwan Fouillen , Claire Boyer , Maxime Sangnier

The goal of machine learning is to provide solutions which are trained by data or by experience coming from the environment. Many training algorithms exist and some brilliant successes were achieved. But even in structured environments for…

Adaptation and Self-Organizing Systems · Physics 2011-09-06 Wolfgang Konen

Gradient tree boosting is a prediction algorithm that sequentially produces a model in the form of linear combinations of decision trees, by solving an infinite-dimensional optimization problem. We combine gradient boosting and Nesterov's…

Machine Learning · Statistics 2018-03-07 Gérard Biau , Benoît Cadre , Laurent Rouvìère

Combining the merits of both denoising diffusion probabilistic models and gradient boosting, the diffusion boosting paradigm is introduced for tackling supervised learning problems. We develop Diffusion Boosted Trees (DBT), which can be…

Machine Learning · Statistics 2024-06-05 Xizewen Han , Mingyuan Zhou

Recent progress in artificial intelligence (AI) is unlocking transformative capabilities for mathematics. There is great hope that AI will help solve major open problems and autonomously discover new mathematical concepts. In this essay, we…

Artificial Intelligence · Computer Science 2026-04-08 Maissam Barkeshli , Michael R. Douglas , Michael H. Freedman

Building concurrent spatial trees is more complicated than binary search trees since a space hierarchy should be preserved during modifications. We present a non-blocking quadtree-quadboost-that supports concurrent insert, remove, move, and…

Data Structures and Algorithms · Computer Science 2016-07-13 Keren Zhou , Guangming Tan , Wei Zhou

Transformers are mostly relying on softmax attention, which introduces quadratic complexity with respect to sequence length and remains a major bottleneck for efficient inference. Prior work on linear or hybrid attention typically replaces…

Uplift modeling is an area of machine learning which aims at predicting the causal effect of some action on a given individual. The action may be a medical procedure, marketing campaign, or any other circumstance controlled by the…

Machine Learning · Computer Science 2018-07-23 Michał Sołtys , Szymon Jaroszewicz

The recent advent of automated neural network architecture search led to several methods that outperform state-of-the-art human-designed architectures. However, these approaches are computationally expensive, in extreme cases consuming GPU…

Machine Learning · Computer Science 2019-03-11 Martin Wistuba , Tejaswini Pedapati

More often than not in benchmark supervised ML, tabular data is flat, i.e. consists of a single $m \times d$ (rows, columns) file, but cases abound in the real world where observations are described by a set of tables with structural…

Machine Learning · Computer Science 2024-02-26 Mathieu Guillame-Bert , Richard Nock

Supervised machine learning algorithms have seen spectacular advances and surpassed human level performance in a wide range of specific applications. However, using complex ensemble or deep learning algorithms typically results in black box…

Machine Learning · Computer Science 2021-01-06 Felix Wick , Ulrich Kerzel , Michael Feindt

Boosting methods have been introduced in the late 1980's. They were born following the theoritical aspect of PAC learning. The main idea of boosting methods is to combine weak learners to obtain a strong learner. The weak learners are…

Machine Learning · Computer Science 2023-10-31 Perceval Beja-Battais