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The rare-event sampling problem has long been the central limiting factor in molecular dynamics (MD), especially in biomolecular simulation. Recently, diffusion models such as BioEmu have emerged as powerful equilibrium samplers that…

Modern machine learning forces practitioners to choose between powerful but expensive deep networks and fast but limited classical algorithms. Here we introduce Soft Learning, a framework that maintains a library of heterogeneous…

机器学习 · 计算机科学 2026-05-20 Mohammed Aledhari , Ali Aledhari , Fatimah Aledhari , Mohamed Rahouti

In the setting of entangled single-sample distributions, the goal is to estimate some common parameter shared by a family of distributions, given one \emph{single} sample from each distribution. We study mean estimation and linear…

机器学习 · 计算机科学 2020-07-08 Hui Yuan , Yingyu Liang

Training deep learning models for accurate spatiotemporal recognition of facial expressions in videos requires significant computational resources. For practical reasons, 3D Convolutional Neural Networks (3D CNNs) are usually trained with…

计算机视觉与模式识别 · 计算机科学 2020-11-11 Théo Ayral , Marco Pedersoli , Simon Bacon , Eric Granger

In this paper, we consider the problem of column subset selection. We present a novel analysis of the spectral norm reconstruction for a simple randomized algorithm and establish a new bound that depends explicitly on the sampling…

数值分析 · 数学 2015-05-05 Tianbao Yang , Lijun Zhang , Rong Jin , Shenghuo Zhu

Reconstructing continuous signals from a small number of discrete samples is a fundamental problem across science and engineering. In practice, we are often interested in signals with 'simple' Fourier structure, such as bandlimited,…

数据结构与算法 · 计算机科学 2018-12-24 Haim Avron , Michael Kapralov , Cameron Musco , Christopher Musco , Ameya Velingker , Amir Zandieh

Social and real-world considerations such as robustness, fairness, social welfare and multi-agent tradeoffs have given rise to multi-distribution learning paradigms, such as collaborative learning, group distributionally robust…

机器学习 · 计算机科学 2024-04-04 Nika Haghtalab , Michael I. Jordan , Eric Zhao

Flow-based generative models are composed of invertible transformations between two random variables of the same dimension. Therefore, flow-based models cannot be adequately trained if the dimension of the data distribution does not match…

计算机视觉与模式识别 · 计算机科学 2020-11-17 Hyeongju Kim , Hyeonseung Lee , Woo Hyun Kang , Joun Yeop Lee , Nam Soo Kim

Two-tower neural networks are a popular architecture for the retrieval stage in recommender systems. These models are typically trained with a softmax loss over the item catalog. However, in web-scale settings, the item catalog is often…

信息检索 · 计算机科学 2025-07-29 Kirill Khrylchenko , Vladimir Baikalov , Sergei Makeev , Artem Matveev , Sergei Liamaev

We propose a novel approach which exploits chaos to enhance classification accuracy. Specifically, the available data that need to be classified are treated as vectors that are first lifted into a higher-dimensional space and then used as…

机器学习 · 计算机科学 2026-04-21 Panos Stinis

Randomized smoothing (RS) has successfully been used to improve the robustness of predictions for deep neural networks (DNNs) by adding random noise to create multiple variations of an input, followed by deciding the consensus. To…

机器学习 · 计算机科学 2024-04-29 Emmanouil Seferis , Stefanos Kollias , Chih-Hong Cheng

Supervised learning with large-scale data usually leads to complex optimization problems, especially for classification tasks with multiple classes. Stochastic subgradient methods can enable efficient learning with a large number of samples…

机器学习 · 计算机科学 2025-11-25 Kartheek Bondugula , Santiago Mazuelas , Aritz Pérez

A common assumption in machine learning is that samples are independently and identically distributed (i.i.d). However, the contributions of different samples are not identical in training. Some samples are difficult to learn and some…

机器学习 · 计算机科学 2021-11-23 Ou Wu , Weiyao Zhu , Yingjun Deng , Haixiang Zhang , Qinghu Hou

In deep learning models, learning more with less data is becoming more important. This paper explores how neural networks with normalized Radial Basis Function (RBF) kernels can be trained to achieve better sample efficiency. Moreover, we…

Randomized methods of neural network learning suffer from a problem with the generation of random parameters as they are difficult to set optimally to obtain a good projection space. The standard method draws the parameters from a fixed…

机器学习 · 计算机科学 2019-08-13 Grzegorz Dudek

High-dimensional data is common in multiple areas, such as health care and genomics, where the number of features can be tens of thousands. In such scenarios, the large number of features often leads to inefficient learning. Constraint…

机器学习 · 统计学 2023-06-13 Kartheek Bondugula , Santiago Mazuelas , Aritz Pérez

In reinforcement learning, robust policies for high-stakes decision-making problems with limited data are usually computed by optimizing the percentile criterion, which minimizes the probability of a catastrophic failure. Unfortunately,…

机器学习 · 计算机科学 2021-03-01 Elita A. Lobo , Mohammad Ghavamzadeh , Marek Petrik

Despite achieving state-of-the-art results in nearly all Natural Language Processing applications, fine-tuning Transformer-based language models still requires a significant amount of labeled data to work. A well known technique to reduce…

机器学习 · 计算机科学 2025-03-13 Julius Gonsior , Christian Falkenberg , Silvio Magino , Anja Reusch , Maik Thiele , Wolfgang Lehner

Training sample re-weighting is an effective approach for tackling data biases such as imbalanced and corrupted labels. Recent methods develop learning-based algorithms to learn sample re-weighting strategies jointly with model training…

机器学习 · 计算机科学 2021-09-08 Zizhao Zhang , Tomas Pfister

The computationally cheap machine learning architecture of random feature maps can be viewed as a single-layer feedforward network in which the weights of the hidden layer are random but fixed and only the outer weights are learned via…

机器学习 · 计算机科学 2025-04-29 Pinak Mandal , Georg A. Gottwald , Nicholas Cranch