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Biological systems in nature have evolved for millions of years to adapt and survive the environment. Many features they developed can be inspirational and beneficial for solving technical problems in modern industries. This leads to a…
We present a diffusion-based, generative model for conformer generation. Our model is focused on the reproduction of bonded structure and is constructed from the associated terms traditionally found in classical force fields to ensure a…
Most of the existing deep learning-based sequential recommendation approaches utilize the recurrent neural network architecture or self-attention to model the sequential patterns and temporal influence among a user's historical behavior and…
Large language models (LLMs) have shown promise in various natural language processing tasks, including their application to proteomics data to classify protein fragments. In this study, we curated a limited mass spectrometry dataset with…
We propose a new class of physics-informed neural networks, called Physics-Informed Generator-Encoder Adversarial Networks, to effectively address the challenges posed by forward, inverse, and mixed problems in stochastic differential…
In computed tomography (CT), reducing the number of projection views is an effective strategy to lower radiation exposure and/or improve temporal resolution. However, this often results in severe aliasing artifacts and loss of structural…
Synthetic data generation in histopathology faces unique challenges: preserving tissue heterogeneity, capturing subtle morphological features, and scaling to unannotated datasets. We present a latent diffusion model that generates realistic…
Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them…
Generative models have the potential to accelerate key steps in the discovery of novel molecular therapeutics and materials. Diffusion models have recently emerged as a powerful approach, excelling at unconditional sample generation and,…
Foundation models for single-cell RNA sequencing (scRNA-seq) have shown promising capabilities in capturing gene expression patterns. However, current approaches face critical limitations: they ignore biological prior knowledge encoded in…
Temporal sentence grounding is a challenging task that aims to localize the moment spans relevant to a language description. Although recent DETR-based models have achieved notable progress by leveraging multiple learnable moment queries,…
Simulating in silico cellular responses to interventions is a promising direction to accelerate high-content image-based assays, critical for advancing drug discovery and gene editing. To support this, we introduce MorphGen, a…
Generative models hold great promise for accelerating material discovery but are often limited by their inflexible single-stage generative process in designing valid and diverse materials. To address this, we propose a two-stage generative…
Protein sequence generation via stochastic attention produces plausible family members from small alignments without training, but treats all stored sequences equally and cannot direct generation toward a functional subset of interest. We…
We propose a novel framework that combines deep generative time series models with decision theory for generating personalized treatment strategies. It leverages historical patient trajectory data to jointly learn the generation of…
Electronic health records (EHRs) are rich clinical data sources but complex repositories of patient data, spanning structured elements (demographics, vitals, lab results, codes), unstructured clinical notes and other modalities of data.…
Production forecast based on historical data provides essential value for developing hydrocarbon resources. Classic history matching workflow is often computationally intense and geometry-dependent. Analytical data-driven models like…
Positron Emission Tomography (PET) image reconstruction is inherently challenged by Poisson noise and physical degradation factors, which are further exacerbated in limited-angle acquisitions. While deep learning methods demonstrate…
The increasing availability of unstructured clinical narratives in electronic health records (EHRs) has created new opportunities for automated disease characterization, cohort identification, and clinical decision support. However,…
Organic photovoltaic (OPV) materials offer a promising avenue toward cost-effective solar energy utilization. However, optimizing donor-acceptor (D-A) combinations to achieve high power conversion efficiency (PCE) remains a significant…