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Molecule discovery plays a crucial role in various scientific fields, advancing the design of tailored materials and drugs. However, most of the existing methods heavily rely on domain experts, require excessive computational cost, or…

SemEval-2025 Task 1 focuses on ranking images based on their alignment with a given nominal compound that may carry idiomatic meaning in both English and Brazilian Portuguese. To address this challenge, this work uses generative large…

Instruction tuning as an effective technique aligns the outputs of large language models (LLMs) with human preference. But how to generate the seasonal multi-turn dialogues from raw documents for instruction tuning still requires further…

In almost all text generation applications, word sequences are constructed in a left-to-right (L2R) or right-to-left (R2L) manner, as natural language sentences are written either L2R or R2L. However, we find that the natural language…

Training data are usually limited or heterogeneous in many chemical and biological applications. Existing machine learning models for chemistry and materials science fail to consider generalizing beyond training domains. In this article, we…

Large-scale single-stream pre-training has shown dramatic performance in image-text retrieval. Regrettably, it faces low inference efficiency due to heavy attention layers. Recently, two-stream methods like CLIP and ALIGN with high…

Vision-Language Models (VLMs) have achieved remarkable progress in integrating visual perception with language understanding. However, effective multimodal reasoning requires both accurate perception and robust reasoning, and weakness in…

This paper introduces reconstructive visual instruction tuning (ROSS), a family of Large Multimodal Models (LMMs) that exploit vision-centric supervision signals. In contrast to conventional visual instruction tuning approaches that…

The rapid progress of large language models (LLMs) has led to remarkable performance gains across a wide range of tasks. However, when handling long documents that exceed the model's context window limit, the entire context cannot be…

Document retrieval is an important task for search and Retrieval-Augmented Generation (RAG) applications. Large Language Models (LLMs) have contributed to improving the accuracy of text-based document retrieval. However, documents with…

The integration of biomolecular modeling with natural language (BL) has emerged as a promising interdisciplinary area at the intersection of artificial intelligence, chemistry and biology. This approach leverages the rich, multifaceted…

Reliable in silico molecular toxicity prediction is a cornerstone of modern drug discovery, offering a scalable alternative to experimental screening. However, the black-box nature of state-of-the-art models remains a significant barrier to…

Automated Machine Learning (AutoML) offers a promising approach to streamline the training of machine learning models. However, existing AutoML frameworks are often limited to unimodal scenarios and require extensive manual configuration.…

Multimodal Large Language Models (MLLMs) have achieved significant success in Speech-to-Text Translation (S2TT) tasks. While most existing research has focused on English-centric translation directions, the exploration of many-to-many…

Retrieving molecular structures from tandem mass spectra is a crucial step in rapid compound identification. Existing retrieval methods, such as traditional mass spectral library matching, suffer from limited spectral library coverage,…

Recent advances in image-text pretraining have significantly enhanced visual understanding by aligning visual and textual representations. Contrastive Language-Image Pretraining (CLIP) has played a pivotal role in multimodal learning.…

Large Language Models (LLMs), with their remarkable task-handling capabilities and innovative outputs, have catalyzed significant advancements across a spectrum of fields. However, their proficiency within specialized domains such as…

Automatic structuring of electronic medical records is of high demand for clinical workflow solutions to facilitate extraction, storage, and querying of patient care information. However, developing a scalable solution is extremely…

Large Language Models (LLMs) have demonstrated great performance in few-shot In-Context Learning (ICL) for a variety of generative and discriminative chemical design tasks. The newly expanded context windows of LLMs can further improve ICL…

Text Image Machine Translation (TIMT)-the task of translating textual content embedded in images-is critical for applications in accessibility, cross-lingual information access, and real-world document understanding. However, TIMT remains a…