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The hard core model in statistical physics is a probability distribution on independent sets in a graph in which the weight of any independent set I is proportional to lambda^(|I|), where lambda > 0 is the vertex activity. We show that…
Blood vessel segmentation and -tracing are essential tasks in many medical imaging applications. Although numerous methods exist, the prevailing segment-then-fix paradigm is fundamentally limited regarding its suitability for modeling the…
In this paper, we address the modeling issues of cell movement and division with a special focus on the phenomenon of volume exclusion in a lattice-based, exact stochastic simulation framework. We propose a new exact method, called Reduced…
Image segmentation is widely used in a variety of computer vision tasks, such as object localization and recognition, boundary detection, and medical imaging. This thesis proposes deep learning architectures to improve automatic object…
We present a rectangle-based segmentation algorithm that sets up a graph and performs a graph cut to separate an object from the background. However, graph-based algorithms distribute the graph's nodes uniformly and equidistantly on the…
Molecule generation is a very important practical problem, with uses in drug discovery and material design, and AI methods promise to provide useful solutions. However, existing methods for molecule generation focus either on 2D graph…
Automated cell segmentation in microscopy images is essential for biomedical research, yet conventional methods are labor-intensive and prone to error. While deep learning-based approaches have proven effective, they often require large…
Current 3D scene segmentation methods are heavily dependent on manually annotated 3D training datasets. Such manual annotations are labor-intensive, and often lack fine-grained details. Importantly, models trained on this data typically…
Object segmentation in three-dimensional (3-D) point clouds is a critical task for robots capable of 3-D perception. Despite the impressive performance of deep learning-based approaches on object segmentation in 2-D images, deep learning…
Generating molecular structures with desired properties is a critical task with broad applications in drug discovery and materials design. We propose 3M-Diffusion, a novel multi-modal molecular graph generation method, to generate diverse,…
Generative models of graphs based on discrete Denoising Diffusion Probabilistic Models (DDPMs) offer a principled approach to molecular generation by systematically removing structural noise through iterative atom and bond adjustments.…
Off-lattice agent-based models (or cell-based models) of multicellular systems are increasingly used to create in-silico models of in-vitro and in-vivo experimental setups of cells and tissues, such as cancer spheroids, neural crest cell…
Estimating free energy differences quantifies thermodynamic preferences in molecular interactions, which is central to chemistry and drug discovery. Despite fruitful progress, existing methods still face key limitations: classical…
Although cell shape can reflect the mechanical and biochemical properties of the cell and its environment, quantification of 3D cell shapes within 3D tissues remains difficult, typically requiring digital reconstruction from a stack of 2D…
We introduce a new distributed algorithm for aligning graphs or finding substructures within a given graph. It is based on the cavity method and is used to study the maximum-clique and the graph-alignment problems in random graphs. The…
Late Gadolinium Enhancement Magnetic Resonance Imaging (LGE MRI) emerged as a routine scan for patients with atrial fibrillation (AF). However, due to the low image quality automating the quantification and analysis of the atrial scars is…
Graph neural networks (GNNs) have been proposed for medical image segmentation, by predicting anatomical structures represented by graphs of vertices and edges. One such type of graph is predefined with fixed size and connectivity to…
This paper studies graph-based active learning, where the goal is to reconstruct a binary signal defined on the nodes of a weighted graph, by sampling it on a small subset of the nodes. A new sampling algorithm is proposed, which…
Cell lineage decisions occur in three-dimensional spatial patterns that are difficult to identify by eye. There is an ongoing effort to replicate such patterns using mathematical modeling. One approach uses long ranging cell-cell…
Image segmentation plays a pivotal role in several medical-imaging applications by assisting the segmentation of the regions of interest. Deep learning-based approaches have been widely adopted for semantic segmentation of medical data. In…