中文
相关论文

相关论文: Drug discovery with explainable artificial intelli…

200 篇论文

In recent years, Artificial Intelligence technology has excelled in various applications across all domains and fields. However, the various algorithms in neural networks make it difficult to understand the reasons behind decisions. For…

人工智能 · 计算机科学 2025-05-13 Bowen Long , Enjie Liu , Renxi Qiu , Yanqing Duan

Artificial Intelligence is providing astonishing results, with medicine being one of its favourite playgrounds. In a few decades, computers may be capable of formulating diagnoses and choosing the correct treatment, while robots may perform…

Society's capacity for algorithmic problem-solving has never been greater. Artificial Intelligence is now applied across more domains than ever, a consequence of powerful abstractions, abundant data, and accessible software. As capabilities…

机器学习 · 统计学 2024-08-20 Kris Sankaran

Deep neural networks have been well-known for their superb handling of various machine learning and artificial intelligence tasks. However, due to their over-parameterized black-box nature, it is often difficult to understand the prediction…

机器学习 · 计算机科学 2022-07-18 Xuhong Li , Haoyi Xiong , Xingjian Li , Xuanyu Wu , Xiao Zhang , Ji Liu , Jiang Bian , Dejing Dou

We characterize three notions of explainable AI that cut across research fields: opaque systems that offer no insight into its algo- rithmic mechanisms; interpretable systems where users can mathemat- ically analyze its algorithmic…

人工智能 · 计算机科学 2017-10-03 Derek Doran , Sarah Schulz , Tarek R. Besold

Explainable Artificial Intelligence (XAI) has experienced a significant growth over the last few years. This is due to the widespread application of machine learning, particularly deep learning, that has led to the development of highly…

人工智能 · 计算机科学 2020-10-13 Giulia Vilone , Luca Longo

Artificial intelligence (AI) agents are emerging as transformative tools in drug discovery, with the ability to autonomously reason, act, and learn through complicated research workflows. Building on large language models (LLMs) coupled…

A common trait of many machine learning models is that it is often difficult to understand and explain what caused the model to produce the given output. While the explainability of neural networks has been an active field of research in…

Interpretability, explainability and transparency are key issues to introducing Artificial Intelligence methods in many critical domains: This is important due to ethical concerns and trust issues strongly connected to reliability,…

机器学习 · 计算机科学 2023-01-25 George A. Vouros

Interpretable machine learning tackles the important problem that humans cannot understand the behaviors of complex machine learning models and how these models arrive at a particular decision. Although many approaches have been proposed, a…

机器学习 · 计算机科学 2019-05-21 Mengnan Du , Ninghao Liu , Xia Hu

Advances in machine learning have led to graph neural network-based methods for drug discovery, yielding promising results in molecular design, chemical synthesis planning, and molecular property prediction. However, current graph neural…

定量方法 · 定量生物学 2021-07-13 Jiahua Rao , Shuangjia Zheng , Yuedong Yang

The popularity of Deep Learning for real-world applications is ever-growing. With the introduction of high performance hardware, applications are no longer limited to image recognition. With the introduction of more complex problems comes…

机器学习 · 计算机科学 2019-09-13 Liam Hiley , Alun Preece , Yulia Hicks

Designing and implementing explainable systems is seen as the next step towards increasing user trust in, acceptance of and reliance on Artificial Intelligence (AI) systems. While explaining choices made by black-box algorithms such as…

多智能体系统 · 计算机科学 2022-08-23 Sharadhi Alape Suryanarayana , David Sarne , Sarit Kraus

Explainability is needed to establish confidence in machine learning results. Some explainable methods take a post hoc approach to explain the weights of machine learning models, others highlight areas of the input contributing to…

机器学习 · 计算机科学 2024-07-15 Paul Whitten , Francis Wolff , Chris Papachristou

Deep neural networks are becoming more and more popular due to their revolutionary success in diverse areas, such as computer vision, natural language processing, and speech recognition. However, the decision-making processes of these…

计算与语言 · 计算机科学 2021-10-15 Oana-Maria Camburu

Over the past few years, we have seen fundamental breakthroughs in core problems in machine learning, largely driven by advances in deep neural networks. At the same time, the amount of data collected in a wide array of scientific domains…

机器学习 · 计算机科学 2020-03-27 Maithra Raghu , Eric Schmidt

Explainable information retrieval is an emerging research area aiming to make transparent and trustworthy information retrieval systems. Given the increasing use of complex machine learning models in search systems, explainability is…

信息检索 · 计算机科学 2022-11-07 Avishek Anand , Lijun Lyu , Maximilian Idahl , Yumeng Wang , Jonas Wallat , Zijian Zhang

The application of machine learning to support the processing of large datasets holds promise in many industries, including financial services. However, practical issues for the full adoption of machine learning remain with the focus being…

机器学习 · 计算机科学 2021-05-14 Ismini Psychoula , Andreas Gutmann , Pradip Mainali , S. H. Lee , Paul Dunphy , Fabien A. P. Petitcolas

Explainable AI is an emerging field providing solutions for acquiring insights into automated systems' rationale. It has been put on the AI map by suggesting ways to tackle key ethical and societal issues. Existing explanation techniques…

机器学习 · 计算机科学 2022-05-02 Ioannis Mollas , Nick Bassiliades , Grigorios Tsoumakas