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Geometric deep learning (GDL), which is based on neural network architectures that incorporate and process symmetry information, has emerged as a recent paradigm in artificial intelligence. GDL bears particular promise in molecular modeling…

Chemical Physics · Physics 2022-01-03 Kenneth Atz , Francesca Grisoni , Gisbert Schneider

The increased availability of data and computing resources has enabled researchers to successfully adopt machine learning (ML) techniques and make significant contributions in several engineering areas. ML and in particular deep learning…

Machine Learning · Computer Science 2025-02-10 Nunzio A. Letizia

Much of the world's most valued data is stored in relational databases and data warehouses, where the data is organized into many tables connected by primary-foreign key relations. However, building machine learning models using this data…

Machine Learning · Computer Science 2023-12-11 Matthias Fey , Weihua Hu , Kexin Huang , Jan Eric Lenssen , Rishabh Ranjan , Joshua Robinson , Rex Ying , Jiaxuan You , Jure Leskovec

Despite their impact on the society, deep neural networks are often regarded as black-box models due to their intricate structures and the absence of explanations for their decisions. This opacity poses a significant challenge to AI systems…

Machine Learning · Computer Science 2024-07-18 Biagio La Rosa

As the use of deep learning techniques has grown across various fields over the past decade, complaints about the opaqueness of the black-box models have increased, resulting in an increased focus on transparency in deep learning models.…

Computation and Language · Computer Science 2024-03-19 Siwen Luo , Hamish Ivison , Caren Han , Josiah Poon

Deep learning has arguably achieved tremendous success in recent years. In simple words, deep learning uses the composition of many nonlinear functions to model the complex dependency between input features and labels. While neural networks…

Machine Learning · Statistics 2019-04-16 Jianqing Fan , Cong Ma , Yiqiao Zhong

While Large Language Models (LLMs) have achieved strong performance across many NLP tasks, their opaque internal mechanisms hinder trustworthiness and safe deployment. Existing surveys in explainable AI largely focus on post-hoc explanation…

Computation and Language · Computer Science 2026-04-21 Yutong Gao , Qinglin Meng , Yuan Zhou , Liangming Pan

Deep learning is very effective at jointly learning feature representations and classification models, especially when dealing with high dimensional input patterns. Probabilistic logic reasoning, on the other hand, is capable to take…

Machine Learning · Computer Science 2019-01-15 Giuseppe Marra , Francesco Giannini , Michelangelo Diligenti , Marco Gori

Reinforcement Learning (RL) is a popular machine learning paradigm where intelligent agents interact with the environment to fulfill a long-term goal. Driven by the resurgence of deep learning, Deep RL (DRL) has witnessed great success over…

Machine Learning · Computer Science 2025-09-01 Yunpeng Qing , Shunyu Liu , Jie Song , Yang Zhou , Kaixuan Chen , Huiqiong Wang , Mingli Song

Recently, artificial intelligence and machine learning in general have demonstrated remarkable performances in many tasks, from image processing to natural language processing, especially with the advent of deep learning. Along with…

Machine Learning · Computer Science 2020-10-23 Erico Tjoa , Cuntai Guan

Recent developments in single-cell omics technologies have enabled the quantification of molecular profiles in individual cells at an unparalleled resolution. Deep learning, a rapidly evolving sub-field of machine learning, has instilled a…

Genomics · Quantitative Biology 2024-01-17 Manoj M Wagle , Siqu Long , Carissa Chen , Chunlei Liu , Pengyi Yang

In recent years, the use of sophisticated statistical models that influence decisions in domains of high societal relevance is on the rise. Although these models can often bring substantial improvements in the accuracy and efficiency of…

Machine Learning · Computer Science 2021-04-13 Alfredo Carrillo , Luis F. Cantú , Alejandro Noriega

Deep neural networks achieve outstanding results in a large variety of tasks, often outperforming human experts. However, a known limitation of current neural architectures is the poor accessibility to understand and interpret the network…

Computer Vision and Pattern Recognition · Computer Science 2022-03-08 Nicola Garau , Niccolò Bisagno , Zeno Sambugaro , Nicola Conci

Recent technological advancements in data acquisition tools allowed life scientists to acquire multimodal data from different biological application domains. Broadly categorized in three types (i.e., sequences, images, and signals), these…

Quantitative Methods · Quantitative Biology 2020-03-03 Mufti Mahmud , M Shamim Kaiser , Amir Hussain

The recent boom of large language models (LLMs) has re-ignited the hope that artificial intelligence (AI) systems could aid medical diagnosis. Yet despite dazzling benchmark scores, LLM assistants have yet to deliver measurable improvements…

Artificial Intelligence · Computer Science 2025-07-03 Matthew JY Kang , Wenli Yang , Monica R Roberts , Byeong Ho Kang , Charles B Malpas

Symbolic regression is a fundamental tool for discovering interpretable mathematical expressions from data, with broad applications across scientific and engineering domains. Recently, large language models (LLMs) have demonstrated strong…

Machine Learning · Computer Science 2025-06-06 Runxiang Wang , Boxiao Wang , Kai Li , Yifan Zhang , Jian Cheng

Deep learning (DL) models are very effective on many computer vision problems and increasingly used in critical applications. They are also inherently black box. A number of methods exist to generate image-wise explanations that allow…

Computer Vision and Pattern Recognition · Computer Science 2021-12-20 Justin Engelmann , Amos Storkey , Miguel O. Bernabeu

Despite the artificial intelligence (AI) revolution, deep learning has yet to achieve much success with tabular data due to heterogeneous feature space and limited sample sizes without viable transfer learning. The new era of generative AI,…

Machine Learning · Computer Science 2025-01-14 Shourav B. Rabbani , Ibna Kowsar , Manar D. Samad

Developments in the field of Artificial Intelligence (AI), and particularly large language models (LLMs), have created a 'perfect storm' for observing 'sparks' of Artificial General Intelligence (AGI) that are spurious. Like simpler models,…

Artificial Intelligence · Computer Science 2024-06-03 Patrick Altmeyer , Andrew M. Demetriou , Antony Bartlett , Cynthia C. S. Liem

Self-explaining models are models that reveal decision making parameters in an interpretable manner so that the model reasoning process can be directly understood by human beings. General Linear Models (GLMs) are self-explaining because the…

Machine Learning · Computer Science 2019-05-31 Yingjing Lu , Runde Yang