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Researcher profile

Arghya Pal

Arghya Pal contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Computer Visioneess.IVMachine LearningArtificial Intelligence

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Published work

4 published item(s)

preprint2026arXiv

VQ-SAD: Vector Quantized Structure Aware Diffusion For Molecule Generation

Many diffusion based molecule generation methods ignore the symbolic information of molecules and represent the atom and bond type as one hot representation. Methods based on Morgan fingerprints produce hash collisions and are hard to embed into a continuous space without information loss and random fingerprints correspond to no valid molecule. To circumvent this issue we use another paradigm and consider atom and bond codes as latent variables of VQ-VAE. We introduce VQ-SAD which first trains a VQ-VAE and uses the frozen pretrained VQ-VAE model and considers the codebooks for both atom and bond types as tokenizers for the downstream diffusion process. VQ-SAD is a neuro-symbolic model that utilizes both symbolic and neural structural information for a diffusion based model with learnable forward process. The large discrete code space provides a more balanced atom and bond types which enhances the denoising process. VQ-VAE slightly outperforms SOTA models for diffusion based molecule generation on QM9 and ZINC250k datasets.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

A Deep Learning Approach Using Masked Image Modeling for Reconstruction of Undersampled K-spaces

Magnetic Resonance Imaging (MRI) scans are time consuming and precarious, since the patients remain still in a confined space for extended periods of time. To reduce scanning time, some experts have experimented with undersampled k spaces, trying to use deep learning to predict the fully sampled result. These studies report that as many as 20 to 30 minutes could be saved off a scan that takes an hour or more. However, none of these studies have explored the possibility of using masked image modeling (MIM) to predict the missing parts of MRI k spaces. This study makes use of 11161 reconstructed MRI and k spaces of knee MRI images from Facebook&#39;s fastmri dataset. This tests a modified version of an existing model using baseline shifted window (Swin) and vision transformer architectures that makes use of MIM on undersampled k spaces to predict the full k space and consequently the full MRI image. Modifications were made using pytorch and numpy libraries, and were published to a github repository. After the model reconstructed the k space images, the basic Fourier transform was applied to determine the actual MRI image. Once the model reached a steady state, experimentation with hyperparameters helped to achieve pinpoint accuracy for the reconstructed images. The model was evaluated through L1 loss, gradient normalization, and structural similarity values. The model produced reconstructed images with L1 loss values averaging to <0.01 and gradient normalization values <0.1 after training finished. The reconstructed k spaces yielded structural similarity values of over 99% for both training and validation with the fully sampled k spaces, while validation loss continually decreased under 0.01. These data strongly support the idea that the algorithm works for MRI reconstruction, as they indicate the model&#39;s reconstructed image aligns extremely well with the original, fully sampled k space.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

A review and experimental evaluation of deep learning methods for MRI reconstruction

Following the success of deep learning in a wide range of applications, neural network-based machine-learning techniques have received significant interest for accelerating magnetic resonance imaging (MRI) acquisition and reconstruction strategies. A number of ideas inspired by deep learning techniques for computer vision and image processing have been successfully applied to nonlinear image reconstruction in the spirit of compressed sensing for accelerated MRI. Given the rapidly growing nature of the field, it is imperative to consolidate and summarize the large number of deep learning methods that have been reported in the literature, to obtain a better understanding of the field in general. This article provides an overview of the recent developments in neural-network based approaches that have been proposed specifically for improving parallel imaging. A general background and introduction to parallel MRI is also given from a classical view of k-space based reconstruction methods. Image domain based techniques that introduce improved regularizers are covered along with k-space based methods which focus on better interpolation strategies using neural networks. While the field is rapidly evolving with plenty of papers published each year, in this review, we attempt to cover broad categories of methods that have shown good performance on publicly available data sets. Limitations and open problems are also discussed and recent efforts for producing open data sets and benchmarks for the community are examined.

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preprint2020arXiv

Generative Adversarial Data Programming

The paucity of large curated hand-labeled training data forms a major bottleneck in the deployment of machine learning models in computer vision and other fields. Recent work (Data Programming) has shown how distant supervision signals in the form of labeling functions can be used to obtain labels for given data in near-constant time. In this work, we present Adversarial Data Programming (ADP), which presents an adversarial methodology to generate data as well as a curated aggregated label, given a set of weak labeling functions. More interestingly, such labeling functions are often easily generalizable, thus allowing our framework to be extended to different setups, including self-supervised labeled image generation, zero-shot text to labeled image generation, transfer learning, and multi-task learning.

0 citations0 reviewsNo code linkedOpen access