Angqing Jiang, Jianlyu Chen, Zhefang, Yongcan Wang, Xinpeng Li, Keyu Ding, Defu Lian. Proceedings of the 64th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2026.

The interdisciplinary field of chemistry and artificial intelligence (AI) is an active area of research aimed at accelerating scientific discovery. Large language Models (LLMs) have shown significant promise in biochemical tasks, especially the molecule caption translation, which aims to align between molecules and natural language texts. However, existing works mainly focus on single molecules, while alignment between chemical reactions and natural language text remains largely unexplored. Additionally, the description of reactions is an essential part in biochemical patents and literature, and research on this aspect not only can help better understand chemical reactions but also promote research on automating chemical synthesis and retrosynthesis. In this work, we propose \textbf{ReactGPT}, a framework aiming to bridge the gap between chemical reaction and text. ReactGPT allows a new task: reaction captioning, by adapting LLMs to learn reaction-text alignment from context examples via In-Context Tuning. Specifically, ReactGPT jointly leverages a Fingerprints-based Reaction Retrieval module, a Domain-Specific Prompt Design module, and a two-stage In-Context Tuning module. We evaluate the effectiveness of ReactGPT on reaction captioning and experimental procedure prediction, both of these tasks can reflect the understanding of chemical reactions. Experimental results show that compared to previous models, ReactGPT exhibits competitive capabilities in resolving chemical reactions and generating high-quality text with correct structure.

Data management and analysis are challenging with big Earth observation (EO) data. Expanding upon the rising promises of data cubes for analysis-ready big EO data, we propose a new geospatial infrastructure layered over a data cube to facilitate big EO data management and analysis. Compared to previous work on data cubes, the proposed infrastructure, GeoCube, extends the capacity of data cubes to multi-source big vector and raster data. GeoCube is developed in terms of three major efforts: formalize cube dimensions for multi-source geospatial data, process geospatial data query along these dimensions, and organize cube data for high-performance geoprocessing. This strategy improves EO data cube management and keeps connections with the business intelligence cube, which provides supplementary information for EO data cube processing. The paper highlights the major efforts and key research contributions to online analytical processing for dimension formalization, distributed cube objects for tiles, and artificial intelligence enabled prediction of computational intensity for data cube processing. Case studies with data from Landsat, Gaofen, and OpenStreetMap demonstrate the capabilities and applicability of the proposed infrastructure.

The big data is characterized by challenges on variety, volumes, velocity etc. Recent advocate of data cube in the Earth observation (EO) domain has shown great promise to provide analysis ready data for remote sensing applications. It is possible to develop a geospatial big data infrastructure layered on the data cube by incorporating a uniform analysis-ready multidimensional data structure and exploiting its usage in connecting EO data analytics and OLAP (Online Analytical Processing), thus enabling a multi-source geospatial data cube accommodating both EO and location-based social-economic data. The creation of such a geospatial data cube, named GeoCube, needs special attentions from geospatial perspective including the formalization of spatio-temporal dimensions, tiling along these dimensions for high performance geoprocessing, and processing of geospatial/EO queries against these dimensions. This will help develop a new framework for big geospatial data analytics while at the time keeping connections to the data cube in the business intelligence domain. The paper will highlight these issues and identify a research agenda for developing such a geospatial data cube.

In this work, we propose and compare several methods for the visualization and exploration of time-varying volumetric medical images based on the temporal characteristics of the data. The principle idea is to consider a time-varying data set as a 3D array where each voxel contains a time-activity curve (TAC). We define and appraise three different TAC similarity measures. Based on these measures we introduce three methods to analyze and visualize time-varying data. The first method relates the whole data set to one template TAC and creates a 1D histogram. The second method extends the 1D histogram into a 2D histogram by taking the Euclidean distance between voxels into account. The third method does not rely on a template TAC but rather creates a 2D scatter-plot of all TAC data points via multi-dimensional scaling. These methods allow the user to specify transfer functions on the 1D and 2D histograms and on the scatter plot, respectively. We validate these methods on synthetic dynamic SPECT and PET data sets and a dynamic planar Gamma camera image of a patient. These techniques are designed to offer researchers and health care professionals a new tool to study the time-varying medical imaging data sets.