no code implementations • 18 Sep 2023 • Dhananjay Bhaskar, Yanlei Zhang, Charles Xu, Xingzhi Sun, Oluwadamilola Fasina, Guy Wolf, Maximilian Nickel, Michael Perlmutter, Smita Krishnaswamy
In this paper, we propose Graph Differential Equation Network (GDeNet), an approach that harnesses the expressive power of solutions to PDEs on a graph to obtain continuous node- and graph-level representations for various downstream tasks.
no code implementations • 31 Jul 2023 • Kincaid MacDonald, Dhananjay Bhaskar, Guy Thampakkul, Nhi Nguyen, Joia Zhang, Michael Perlmutter, Ian Adelstein, Smita Krishnaswamy
Existing embedding techniques either do not utilize velocity information or embed the coordinates and velocities independently, i. e., they either impose velocities on top of an existing point embedding or embed points within a prescribed vector field.
no code implementations • 13 Jun 2023 • Dhananjay Bhaskar, Sumner Magruder, Edward De Brouwer, Aarthi Venkat, Frederik Wenkel, Guy Wolf, Smita Krishnaswamy
Complex systems are characterized by intricate interactions between entities that evolve dynamically over time.
no code implementations • 28 Dec 2022 • Dhananjay Bhaskar, William Y. Zhang, Alexandria Volkening, Björn Sandstede, Ian Y. Wong
We further demonstrate that persistence images can be normalized to improve classification for simulations with varying cell numbers due to proliferation.
no code implementations • 15 Aug 2022 • Alexander Tong, Frederik Wenkel, Dhananjay Bhaskar, Kincaid MacDonald, Jackson Grady, Michael Perlmutter, Smita Krishnaswamy, Guy Wolf
We propose a new graph neural network (GNN) module, based on relaxations of recently proposed geometric scattering transforms, which consist of a cascade of graph wavelet filters.
no code implementations • 8 Jun 2022 • Dhananjay Bhaskar, Kincaid MacDonald, Oluwadamilola Fasina, Dawson Thomas, Bastian Rieck, Ian Adelstein, Smita Krishnaswamy
We introduce a new intrinsic measure of local curvature on point-cloud data called diffusion curvature.
1 code implementation • 24 Jan 2022 • Egbert Castro, Abhinav Godavarthi, Julian Rubinfien, Kevin B. Givechian, Dhananjay Bhaskar, Smita Krishnaswamy
Using ReLSO, we explicitly model the sequence-function landscape of large labeled datasets and generate new molecules by optimizing within the latent space using gradient-based methods.
no code implementations • 12 Oct 2021 • Dhananjay Bhaskar, Jackson D. Grady, Michael A. Perlmutter, Smita Krishnaswamy
We guide the latent representation of an autoencoder by capturing graph structure information with the geometric scattering transform and apply penalties that structure the representation also by molecular properties.
no code implementations • 22 Mar 2020 • Dhananjay Bhaskar, William Y. Zhang, Ian Y. Wong
Instead, topological data analysis (TDA) determines the stability of spatial connectivity at varying length scales (i. e. persistent homology) and can compare different particle configurations based on the "cost" of reorganizing one configuration into another.