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Large language models have demonstrated remarkable reasoning capabilities across diverse natural language tasks. However, comparable breakthroughs in scientific discovery are more limited, because understanding complex physical phenomena…

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Recent progress in Large Language Models (LLMs) has drawn attention to their potential for accelerating drug discovery. However, a central problem remains: translating theoretical ideas into robust implementations in the highly specialized…

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Over the years several studies have demonstrated the ability to identify potential drug-drug interactions via data mining from the literature (MEDLINE), electronic health records, public databases (Drugbank), etc. While each one of these…

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Large Language Models (LLMs) are widely used by students, yet their tendency to provide fast and complete answers may discourage reflection and foster overconfidence. We examined how alternative LLM interaction designs support deeper…

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The clinical trial is a pivotal and costly process, often spanning multiple years and requiring substantial financial resources. Therefore, the development of clinical trial outcome prediction models aims to exclude drugs likely to fail and…

Machine Learning · Computer Science 2025-01-29 Wenhao Zheng , Liaoyaqi Wang , Dongshen Peng , Hongxia Xu , Yun Li , Hongtu Zhu , Tianfan Fu , Huaxiu Yao

Drug-drug interactions (DDIs) represent a critical challenge in pharmacology, often leading to adverse drug reactions with significant implications for patient safety and healthcare outcomes. While graph-based methods have achieved strong…

Machine Learning · Computer Science 2025-07-15 Mengjie Chen , Ming Zhang , Cunquan Qu

Recent advances and achievements of artificial intelligence (AI) as well as deep and graph learning models have established their usefulness in biomedical applications, especially in drug-drug interactions (DDIs). DDIs refer to a change in…

Large language models (LLMs) have achieved remarkable performance on diverse benchmarks, yet existing evaluation practices largely rely on coarse summary metrics that obscure underlying reasoning abilities. In this work, we propose novel…

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The increasing global prevalence of mental disorders, such as depression and PTSD, requires objective and scalable diagnostic tools. Traditional clinical assessments often face limitations in accessibility, objectivity, and consistency.…

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Traffic safety remains a critical global challenge, with traditional Advanced Driver-Assistance Systems (ADAS) often struggling in dynamic real-world scenarios due to fragmented sensor processing and susceptibility to adversarial…

Computer Vision and Pattern Recognition · Computer Science 2025-04-24 Mohammad Abu Tami , Mohammed Elhenawy , Huthaifa I. Ashqar

Recent advances in product bundling have leveraged multimodal information through sophisticated encoders, but remain constrained by limited semantic understanding and a narrow scope of knowledge. Therefore, some attempts employ In-context…

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Click-Through Rate (CTR) prediction is essential in online advertising, where semantic information plays a pivotal role in shaping user decisions and enhancing CTR effectiveness. Capturing and modeling deep semantic information, such as a…

Machine Learning · Computer Science 2025-03-05 Guoxiao Zhang , Yi Wei , Yadong Zhang , Huajian Feng , Qiang Liu

The rapid progress of Multimodal Large Language Models(MLLMs) has transformed the AI landscape. These models combine pre-trained LLMs with various modality encoders. This integration requires a systematic understanding of how different…

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Self-supervised pre-training techniques have achieved remarkable progress in Document AI. Most multimodal pre-trained models use a masked language modeling objective to learn bidirectional representations on the text modality, but they…

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Over the past decade, wearable computing devices (``smart glasses'') have undergone remarkable advancements in sensor technology, design, and processing power, ushering in a new era of opportunity for high-density human behavior data.…

Tool-augmented large language model (LLM) agents promise to unify scientific reasoning with computation, yet their deployment in high-stakes domains like drug discovery is bottlenecked by two critical barriers: unconstrained tool-use…

Artificial Intelligence · Computer Science 2026-03-05 He Cao , Siyu Liu , Fan Zhang , Zijing Liu , Hao Li , Bin Feng , Shengyuan Bai , Leqing Chen , Kai Xie , Yu Li

Empowered by vast internal knowledge reservoir, the new generation of large language models (LLMs) demonstrate untapped potential to tackle medical tasks. However, there is insufficient effort made towards summoning up a synergic effect…

Computation and Language · Computer Science 2025-05-23 Kexin Shang , Chia-Hsuan Chang , Christopher C. Yang

Chemical reaction and retrosynthesis prediction are fundamental tasks in drug discovery. Recently, large language models (LLMs) have shown potential in many domains. However, directly applying LLMs to these tasks faces two major challenges:…

Machine Learning · Computer Science 2025-05-06 Xuan Lin , Qingrui Liu , Hongxin Xiang , Daojian Zeng , Xiangxiang Zeng

The identification of compound-protein interactions (CPI) plays a critical role in drug screening, drug repurposing, and combination therapy studies. The effectiveness of CPI prediction relies heavily on the features extracted from both…

Biomolecules · Quantitative Biology 2023-06-16 Li Zhang , Wenhao Li , Haotian Guan , Zhiquan He , Mingjun Cheng , Han Wang

Drug overdose remains a critical global health issue, often driven by misuse of opioids, painkillers, and psychiatric medications. Traditional research methods face limitations, whereas social media offers real-time insights into…

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