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Recently, a novel two-phase framework named mol-infer for inference of chemical compounds with prescribed abstract structures and desired property values has been proposed. The framework mol-infer is primarily based on using mixed integer…

机器学习 · 计算机科学 2025-07-08 Jianshen Zhu , Naveed Ahmed Azam , Kazuya Haraguchi , Liang Zhao , Tatsuya Akutsu

Gradient clipping is commonly used in training deep neural networks partly due to its practicability in relieving the exploding gradient problem. Recently, \citet{zhang2019gradient} show that clipped (stochastic) Gradient Descent (GD)…

机器学习 · 计算机科学 2020-10-30 Bohang Zhang , Jikai Jin , Cong Fang , Liwei Wang

Semantic segmentation of medical images is pivotal in applications like disease diagnosis and treatment planning. While deep learning has excelled in automating this task, a major hurdle is the need for numerous annotated segmentation…

图像与视频处理 · 电气工程与系统科学 2024-09-02 Li Zhang , Basu Jindal , Ahmed Alaa , Robert Weinreb , David Wilson , Eran Segal , James Zou , Pengtao Xie

Markov Networks are widely used through out computer vision and machine learning. An important subclass are the Associative Markov Networks which are used in a wide variety of applications. For these networks a good approximate minimum cost…

人工智能 · 计算机科学 2012-03-19 Chris Russell , L'ubor Ladicky , Pushmeet Kohli , Philip H. S. Torr

In this paper, we devise a novel lightweight Graph Convolutional Network (GCN) design dubbed as Multi-Rate Magnitude Pruning (MRMP) that jointly trains network topology and weights. Our method is variational and proceeds by aligning the…

计算机视觉与模式识别 · 计算机科学 2024-01-01 Hichem Sahbi

Multiple Instance Regression (MIR) and Learning from Label Proportions (LLP) are learning frameworks arising in many applications, where the training data is partitioned into disjoint sets or bags, and only an aggregate label i.e.,…

机器学习 · 计算机科学 2024-12-02 Sushant Agarwal , Yukti Makhija , Rishi Saket , Aravindan Raghuveer

Integrating information from various reference databases is a major challenge for Retrieval-Augmented Generation (RAG) systems because each knowledge source adopts a unique data structure and follows different conventions. Retrieving from…

机器学习 · 计算机科学 2025-01-28 Zijie Zhong , Hanwen Liu , Xiaoya Cui , Xiaofan Zhang , Zengchang Qin

Machine learning (ML) models have emerged as powerful tools for accelerating materials discovery and design by enabling accurate predictions of properties from compositional and structural data. These capabilities are vital for developing…

Hybridizing machine learning techniques with metaheuristics has attracted significant attention in recent years. Many attempts employ supervised or reinforcement learning to support the decision-making of heuristic methods. However, in some…

机器学习 · 计算机科学 2026-02-25 Bruna C. B. Charytitsch , Mariá C. V. Nascimento

Attribute-missing graph clustering has emerged as a significant unsupervised task, where only attribute vectors of partial nodes are available and the graph structure is intact. The related models generally follow the two-step paradigm of…

机器学习 · 计算机科学 2025-10-30 Mulin Chen , Bocheng Wang , Jiaxin Zhong , Zongcheng Miao , Xuelong Li

From natural language processing to genome sequencing, large-scale machine learning models are bringing advances to a broad range of fields. Many of these models are too large to be trained on a single machine, and instead must be…

机器学习 · 计算机科学 2023-02-01 Christopher W. F. Parsonson , Zacharaya Shabka , Alessandro Ottino , Georgios Zervas

We present an approach for continual learning (CL) that is based on fully probabilistic (or generative) models of machine learning. In contrast to, e.g., GANs that are "generative" in the sense that they can generate samples, fully…

机器学习 · 计算机科学 2021-04-20 Benedikt Pfülb , Alexander Gepperth , Benedikt Bagus

Graph construction is a crucial step in spectral clustering (SC) and graph-based semi-supervised learning (SSL). Spectral methods applied on standard graphs such as full-RBF, $\epsilon$-graphs and $k$-NN graphs can lead to poor performance…

机器学习 · 统计学 2012-05-09 Jing Qian , Venkatesh Saligrama , Manqi Zhao

One of the most useful measures of cluster quality is the modularity of a partition, which measures the difference between the number of the edges joining vertices from the same cluster and the expected number of such edges in a random…

数据分析、统计与概率 · 物理学 2009-09-29 Hristo Djidjev

Mixed integer linear programming (MILP) solvers expose hundreds of parameters that have an outsized impact on performance but are difficult to configure for all but expert users. Existing machine learning (ML) approaches require training on…

机器学习 · 计算机科学 2025-09-25 Connor Lawless , Yingxi Li , Anders Wikum , Madeleine Udell , Ellen Vitercik

With the continuous trend of data explosion, delivering packets from data servers to end users causes increased stress on both the fronthaul and backhaul traffic of mobile networks. To mitigate this problem, caching popular content closer…

网络与互联网体系结构 · 计算机科学 2023-11-15 Yantong Wang , Ye Hu , Zhaohui Yang , Walid Saad , Kai-Kit Wong , Vasilis Friderikos

Machine learning models are widely used for real-world applications, such as document analysis and vision. Constrained machine learning problems are problems where learned models have to both be accurate and respect constraints. For…

机器学习 · 计算机科学 2021-12-03 Guillaume Perez , Sebastian Ament , Carla Gomes , Arnaud Lallouet

A common way of partitioning graphs is through minimum cuts. One drawback of classical minimum cut methods is that they tend to produce small groups, which is why more balanced variants such as normalized and ratio cuts have seen more…

机器学习 · 计算机科学 2024-10-07 Chakib Fettal , Lazhar Labiod , Mohamed Nadif

Convolutional neural networks (CNNs) have achieved great success on grid-like data such as images, but face tremendous challenges in learning from more generic data such as graphs. In CNNs, the trainable local filters enable the automatic…

机器学习 · 计算机科学 2018-09-05 Hongyang Gao , Zhengyang Wang , Shuiwang Ji

We propose a Greedy strategy to solve the problem of Graph Cut, called GGC. It starts from the state where each data sample is regarded as a cluster and dynamically merges the two clusters which reduces the value of the global objective…

机器学习 · 计算机科学 2024-12-31 Feiping Nie , Shenfei Pei , Zengwei Zheng , Rong Wang , Xuelong Li