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Molecular machine learning has gained popularity with the advancements of geometric deep learning. In parallel, retrieval-augmented generation has become a principled approach commonly used with language models. However, the optimal…
Generalized Benders decomposition (GBD) is a globally optimal algorithm for mixed integer nonlinear programming (MINLP) problems, which are NP-hard and can be widely found in the area of wireless resource allocation. The main idea of GBD is…
Quantum Machine Learning (QML) models of molecular HOMO-LUMO-gaps often struggle to achieve satisfying data-efficiency as measured by decreasing prediction errors for increasing training set sizes. Partitioning training sets of organic…
We consider the problem of minimizing the makespan on batch processing identical machines, subject to compatibility constraints, where two jobs are compatible if they can be processed simultaneously in a same batch. These constraints are…
Vision-Language Models (VLMs) such as CLIP learn a shared embedding space for images and text, yet their representations remain geometrically separated, a phenomenon known as the modality gap. This gap limits tasks requiring cross-modal…
We establish a bridge between spectral clustering and Gromov-Wasserstein Learning (GWL), a recent optimal transport-based approach to graph partitioning. This connection both explains and improves upon the state-of-the-art performance of…
Attributed graph clustering or community detection which learns to cluster the nodes of a graph is a challenging task in graph analysis. In this paper, we introduce a contrastive learning framework for learning clustering-friendly node…
Graph condensation (GC) has gained significant attention for its ability to synthesize smaller yet informative graphs. However, existing studies often overlook the robustness of GC in scenarios where the original graph is corrupted. In such…
Graph Neural Network (GNN) is an emerging technique for graph-based learning tasks such as node classification. In this work, we reveal the vulnerability of GNN to the imbalance of node labels. Traditional solutions for imbalanced…
We propose a supervised learning framework for computing solutions of multi-parametric Mixed Integer Linear Programs (MILPs) that arise in Model Predictive Control. Our approach also quantifies sub-optimality for the computed solutions.…
This paper analyzes the integration of artificial intelligence (AI) with mixed integer linear programming (MILP) to address complex optimization challenges in air transportation with explainability. The study aims to validate the use of…
Deep metric learning applied to various applications has shown promising results in identification, retrieval and recognition. Existing methods often do not consider different granularity in visual similarity. However, in many domain…
Recent developments in applied mathematics increasingly employ machine learning (ML)-particularly supervised learning-to accelerate numerical computations, such as solving nonlinear partial differential equations. In this work, we extend…
This paper proposes a novel module called middle spectrum grouped convolution (MSGC) for efficient deep convolutional neural networks (DCNNs) with the mechanism of grouped convolution. It explores the broad "middle spectrum" area between…
In this paper, we introduce a self-supervised learning method to enhance the graph-level representations with the help of a set of subgraphs. For this purpose, we propose a universal framework to generate subgraphs in an auto-regressive way…
Federated graph learning (FGL) enables multiple clients to collaboratively train powerful graph neural networks without sharing their private, decentralized graph data. Inherited from generic federated learning, FGL is critically challenged…
Mixed Integer Linear Programming (MILP) is a fundamental class of NP-hard problems that has garnered significant attention from both academia and industry. The Branch-and-Bound (B\&B) method is the dominant approach for solving MILPs and…
Since annotating medical images for segmentation tasks commonly incurs expensive costs, it is highly desirable to design an annotation-efficient method to alleviate the annotation burden. Recently, contrastive learning has exhibited a great…
Machine learning is increasingly used to improve decisions within branch-and-bound algorithms for mixed-integer programming. Many existing approaches rely on deep learning, which often requires very large training datasets and substantial…
Graph summarization as a preprocessing step is an effective and complementary technique for scalable graph neural network (GNN) training. In this work, we propose the Coarsening Via Convolution Matching (CONVMATCH) algorithm and a highly…