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Partial Multi-label Learning (PML) is a type of weakly supervised learning where each training instance corresponds to a set of candidate labels, among which only some are true. In this paper, we introduce \our{}, a novel probabilistic…

机器学习 · 计算机科学 2024-03-13 Łukasz Struski , Adam Pardyl , Jacek Tabor , Bartosz Zieliński

Molecular property prediction, crucial for early drug candidate screening and optimization, has seen advancements with deep learning-based methods. While deep learning-based methods have advanced considerably, they often fall short in fully…

生物大分子 · 定量生物学 2024-07-01 Taojie Kuang , Yiming Ren , Zhixiang Ren

Local optimization of adsorption systems inherently involves different scales: within the substrate, within the molecule, and between molecule and substrate. In this work, we show how the explicit modeling of the different character of the…

Gaussian Process (GPs) models are a rich distribution over functions with inductive biases controlled by a kernel function. Learning occurs through the optimisation of kernel hyperparameters using the marginal likelihood as the objective.…

机器学习 · 统计学 2021-11-22 Fergus Simpson , Vidhi Lalchand , Carl Edward Rasmussen

Low-resource languages (LRLs) face challenges in supervised neural machine translation due to limited parallel data, prompting research into unsupervised methods. Unsupervised neural machine translation (UNMT) methods, including…

计算与语言 · 计算机科学 2024-01-17 Shilong Pan , Zhiliang Tian , Liang Ding , Zhen Huang , Zhihua Wen , Dongsheng Li

Materials synthesis platforms that are designed for autonomous experimentation are capable of collecting multimodal diagnostic data that can be utilized for feedback to optimize material properties. Pulsed laser deposition (PLD) is emerging…

材料科学 · 物理学 2024-11-01 Sumner B. Harris , Christopher M. Rouleau , Kai Xiao , Rama K. Vasudevan

Machine learning (ML) has become a versatile tool for analyzing anomalous diffusion trajectories, yet most existing pipelines are trained on large collections of simulated data. In contrast, experimental trajectories, such as those from…

生物物理 · 物理学 2025-12-10 Gongyi Wang , Yu Zhang , Zihan Huang

Deep Metric Learning (DML) methods aim at learning an embedding space in which distances are closely related to the inherent semantic similarity of the inputs. Previous studies have shown that popular benchmark datasets often contain…

计算机视觉与模式识别 · 计算机科学 2023-11-02 Oriol Barbany , Xiaofan Lin , Muhammet Bastan , Arnab Dhua

Motion planning (MP) is one of the core robotics problems requiring fast methods for finding a collision-free robot motion path connecting the given start and goal states. Neural motion planners (NMPs) demonstrate fast computational speed…

机器人学 · 计算机科学 2023-06-02 Ruiqi Ni , Ahmed H. Qureshi

In this work, we propose a simple kernel ridge regression (KRR) framework with a dynamic-aware validation strategy for long-term prediction of complex dynamical systems. By employing a data-driven kernel derived from diffusion maps, the…

机器学习 · 计算机科学 2025-12-30 Jiwoo Song , Daning Huang , John Harlim

This work presents a novel data-driven path planning algorithm named Instruction-Guided Probabilistic Roadmap (IG-PRM). Despite the recent development and widespread use of mobile robot navigation, the safe and effective travels of mobile…

机器人学 · 计算机科学 2025-02-25 Jiaqi Bao , Ryo Yonetani

Projection-based model reduction is among the most widely adopted methods for constructing parametric Reduced-Order Models (ROM). Utilizing the snapshot data from solving full-order governing equations, the Proper Orthogonal Decomposition…

机器学习 · 统计学 2025-09-16 Xiao Liu , Jingyi Feng , Xinchao Liu

In this paper, we propose a data-adaptive non-parametric kernel learning framework in margin based kernel methods. In model formulation, given an initial kernel matrix, a data-adaptive matrix with two constraints is imposed in an entry-wise…

机器学习 · 计算机科学 2020-10-16 Fanghui Liu , Xiaolin Huang , Chen Gong , Jie Yang , Li Li

A recent paper (Neural Networks, {\bf 132} (2020), 253-268) introduces a straightforward and simple kernel based approximation for manifold learning that does not require the knowledge of anything about the manifold, except for its…

机器学习 · 计算机科学 2022-04-22 Eric Mason , Hrushikesh Mhaskar , Adam Guo

Finding a transformation between two unknown probability distributions from finite samples is crucial for modeling complex data distributions and performing tasks such as sample generation, domain adaptation and statistical inference. One…

机器学习 · 计算机科学 2024-07-11 Zhe Xiong , Qiaoqiao Ding , Xiaoqun Zhang

While traditional machine learning can effectively tackle a wide range of problems, it primarily operates within a closed-world setting, which presents limitations when dealing with streaming data. As a solution, incremental learning…

机器学习 · 计算机科学 2025-03-11 Hai-Long Sun , Da-Wei Zhou , De-Chuan Zhan , Han-Jia Ye

Scientific and engineering processes deliver massive high-dimensional data sets that are generated as non-linear transformations of an initial state and few process parameters. Mapping such data to a low-dimensional manifold facilitates…

机器学习 · 统计学 2018-08-07 Frank Schoeneman , Varun Chandola , Nils Napp , Olga Wodo , Jaroslaw Zola

Planning robust robot manipulation requires good forward models that enable robust plans to be found. This work shows how to achieve this using a forward model learned from robot data to plan push manipulations. We explore learning methods…

机器人学 · 计算机科学 2019-07-03 Ermano Arruda , Michael J Mathew , Marek Kopicki , Michael Mistry , Morteza Azad , Jeremy L Wyatt

The increasing scale of general-purpose Pre-trained Language Models (PLMs) necessitates the study of more efficient adaptation across different downstream tasks. In this paper, we establish a Black-box Discrete Prompt Learning (BDPL) to…

计算与语言 · 计算机科学 2023-02-24 Shizhe Diao , Zhichao Huang , Ruijia Xu , Xuechun Li , Yong Lin , Xiao Zhou , Tong Zhang

Offline reinforcement learning aims to learn from pre-collected datasets without active exploration. This problem faces significant challenges, including limited data availability and distributional shifts. Existing approaches adopt a…

机器学习 · 计算机科学 2024-10-01 Yue Wang , Jinjun Xiong , Shaofeng Zou