ChemTEB: Chemical Text Embedding Benchmark, an Overview of Embedding Models Performance & Efficiency on a Specific Domain

Recent advancements in language models have started a new era of superior information retrieval and content generation, with embedding models playing an important role in optimizing data representation efficiency and performance. While benchmarks like the Massive Text Embedding Benchmark (MTEB) have standardized the evaluation of general domain embedding models, a gap remains in specialized fields such as chemistry, which require tailored approaches due to domain-specific challenges. This paper introduces a novel benchmark, the Chemical Text Embedding Benchmark (ChemTEB), designed specifically for the chemical sciences. ChemTEB addresses the unique linguistic and semantic complexities of chemical literature and data, offering a comprehensive suite of tasks on chemical domain data. Through the evaluation of 34 open-source and proprietary models using this benchmark, we illuminate the strengths and weaknesses of current methodologies in processing and understanding chemical information. Our work aims to equip the research community with a standardized, domain-specific evaluation framework, promoting the development of more precise and efficient NLP models for chemistry-related applications. Furthermore, it provides insights into the performance of generic models in a domain-specific context. ChemTEB comes with open-source code and data, contributing further to its accessibility and utility.

On the Efficiency of NLP-Inspired Methods for Tabular Deep Learning

Recent advancements in tabular deep learning (DL) have led to substantial performance improvements, surpassing the capabilities of traditional models. With the adoption of techniques from natural language processing (NLP), such as language model-based approaches, DL models for tabular data have also grown in complexity and size. Although tabular datasets do not typically pose scalability issues, the escalating size of these models has raised efficiency concerns. Despite its importance, efficiency has been relatively underexplored in tabular DL research. This paper critically examines the latest innovations in tabular DL, with a dual focus on performance and computational efficiency. The source code is available at https://github.com/basf/mamba-tabular.

Mambular: A Sequential Model for Tabular Deep Learning

The analysis of tabular data has traditionally been dominated by gradient-boosted decision trees (GBDTs), known for their proficiency with mixed categorical and numerical features. However, recent deep learning innovations are challenging this dominance. We introduce Mambular, an adaptation of the Mamba architecture optimized for tabular data. We extensively benchmark Mambular against state-of-the-art models, including neural networks and tree-based methods, and demonstrate its competitive performance across diverse datasets. Additionally, we explore various adaptations of Mambular to understand its effectiveness for tabular data. We investigate different pooling strategies, feature interaction mechanisms, and bi-directional processing. Our analysis shows that interpreting features as a sequence and passing them through Mamba layers results in surprisingly performant models. The results highlight Mambulars potential as a versatile and powerful architecture for tabular data analysis, expanding the scope of deep learning applications in this domain. The source code is available at https://github.com/basf/mamba-tabular.