Related papers: RingFormer: A Ring-Enhanced Graph Transformer for …
We present a highly efficient workflow for designing semiconductor structures with specific physical properties, which can be utilized for a range of applications, including photocatalytic water splitting. Our algorithm generates candidate…
An efficient descriptor model for fast screening of potential materials for solar cell applications is presented. It works for both excitonic and non-excitonic solar cells materials, and in addition to the energy gap it includes the…
Optical high-resolution imagery and OSM data are two important data sources of change detection (CD). Previous related studies focus on utilizing the information in OSM data to aid the CD on optical high-resolution images. This paper…
This article is an attempt to provide a self consistent picture, including existence analysis and numerical solution algorithms, of the mathematical problems arising from modeling photocurrent transients in Organic-polymer Solar Cells…
The discovery of effective molecular modulators is essential for advancing perovskite solar cells (PSCs), but the research process is hindered by the vastness of chemical space and the time-consuming and expensive trial-and-error…
To address the challenges of table structure recognition, we propose a novel Split-Merge-based top-down model optimized for large, densely populated tables. Our approach formulates row and column splitting as sequence labeling tasks,…
Instance segmentation of ships in synthetic aperture radar (SAR) imagery is critical for applications such as maritime monitoring, environmental analysis, and national security. SAR ship images present challenges including scale variation,…
Automatic tree density estimation and counting using single aerial and satellite images is a challenging task in photogrammetry and remote sensing, yet has an important role in forest management. In this paper, we propose the first…
Tables organize valuable content in a concise and compact representation. This content is extremely valuable for systems such as search engines, Knowledge Graph's, etc, since they enhance their predictive capabilities. Unfortunately, tables…
Efficiently retrieving an enormous chemical library to design targeted molecules is crucial for accelerating drug discovery, organic chemistry, and optoelectronic materials. Despite the emergence of generative models to produce novel…
With the rapid growth of large-scale single-cell omic datasets, omic foundation models (FMs) have emerged as powerful tools for advancing research in life sciences and precision medicine. However, most existing omic FMs rely primarily on…
Despite the popularity and widespread use of semi-structured data formats such as JSON, end-to-end supervised learning applied directly to such data remains underexplored. We present ORIGAMI (Object RepresentatIon via Generative…
Optical chemical structure recognition (OCSR) systems aim to extract the molecular structure information, usually in the form of molecular graph or SMILES, from images of chemical molecules. While many tools have been developed for this…
In this paper we present CTRAMER (Charge Transfer RAtes from Molecular dynamics, Electronic structure, and Rate theory), an open source software package for calculating interfacial charge transfer (CT) rate constants in organic photovoltaic…
In drug discovery, knowledge of the graph structure of chemical compounds is essential. Many thousands of scientific articles in chemistry and pharmaceutical sciences have investigated chemical compounds, but in cases the details of the…
All tables can be represented as grids. Based on this observation, we propose GridFormer, a novel approach for interpreting unconstrained table structures by predicting the vertex and edge of a grid. First, we propose a flexible table…
The ongoing energy crisis has underscored the urgent need for energy-efficient materials with high energy utilization efficiency, prompting a surge in research into organic compounds due to their environmental compatibility, cost-effective…
Recent advancements in computational chemistry have leveraged the power of trans-former-based language models, such as MoLFormer, pre-trained using a vast amount of simplified molecular-input line-entry system (SMILES) sequences, to…
The automatic analysis of chemical literature has immense potential to accelerate the discovery of new materials and drugs. Much of the critical information in patent documents and scientific articles is contained in figures, depicting the…
Polymer based organic photovoltaic (OPV) technology offers a relatively inexpensive option for solar energy conversion provided its efficiency increases beyond the current level (6-7%) along with significant improvements in operational…