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In this paper, we investigate the degree of explainability of graph neural networks (GNNs). Existing explainers work by finding global/local subgraphs to explain a prediction, but they are applied after a GNN has already been trained. Here,…

Machine Learning · Computer Science 2022-12-21 Indro Spinelli , Simone Scardapane , Aurelio Uncini

Neural networks leverage robust internal representations in order to generalise. Learning them is difficult, and often requires a large training set that covers the data distribution densely. We study a common setting where our task is not…

Scaling model capacity has been vital in the success of deep learning. For a typical network, necessary compute resources and training time grow dramatically with model size. Conditional computation is a promising way to increase the number…

Machine Learning · Computer Science 2018-11-14 Louis Kirsch , Julius Kunze , David Barber

Molecular representation learning, a cornerstone for downstream tasks like molecular captioning and molecular property prediction, heavily relies on Graph Neural Networks (GNN). However, GNN suffers from the over-smoothing problem, where…

Machine Learning · Computer Science 2025-08-13 Zihang Shao , Wentao Lei , Lei Wang , Wencai Ye , Li Liu

Due to the widespread use of complex machine learning models in real-world applications, it is becoming critical to explain model predictions. However, these models are typically black-box deep neural networks, explained post-hoc via…

Machine Learning · Computer Science 2022-10-20 Filip Radenovic , Abhimanyu Dubey , Dhruv Mahajan

Multimodal brain networks characterize complex connectivities among different brain regions from both structural and functional aspects and provide a new means for mental disease analysis. Recently, Graph Neural Networks (GNNs) have become…

Neurons and Cognition · Quantitative Biology 2022-05-25 Yanqiao Zhu , Hejie Cui , Lifang He , Lichao Sun , Carl Yang

The interpretability of neural networks has recently received extensive attention. Previous prototype-based explainable networks involved prototype activation in both reasoning and interpretation processes, requiring specific explainable…

Computer Vision and Pattern Recognition · Computer Science 2022-11-22 Yitao Peng , Yihang Liu , Longzhen Yang , Lianghua He

Visual question answering requires high-order reasoning about an image, which is a fundamental capability needed by machine systems to follow complex directives. Recently, modular networks have been shown to be an effective framework for…

Computer Vision and Pattern Recognition · Computer Science 2019-01-24 David Mascharka , Philip Tran , Ryan Soklaski , Arjun Majumdar

Deep learning models have achieved state-of-the-art performance in many classification tasks. However, most of them cannot provide an interpretation for their classification results. Machine learning models that are interpretable are…

Machine Learning · Computer Science 2021-11-04 Miles Q. Li , Benjamin C. M. Fung , Adel Abusitta

Training a Neural Network (NN) with lots of parameters or intricate architectures creates undesired phenomena that complicate the optimization process. To address this issue we propose a first modular approach to NN design, wherein the NN…

Machine Learning · Computer Science 2019-02-26 David Castillo-Bolado , Cayetano Guerra-Artal , Mario Hernandez-Tejera

Monolithic neural networks that make use of a single set of weights to learn useful representations for downstream tasks explicitly dismiss the compositional nature of data generation processes. This characteristic exists in data where…

Computer Vision and Pattern Recognition · Computer Science 2023-06-05 Hamed Damirchi , Forest Agostinelli , Pooyan Jamshidi

Artificial neural networks (ANNs) have achieved significant success in tackling classical and modern machine learning problems. As learning problems grow in scale and complexity, and expand into multi-disciplinary territory, a more modular…

Machine Learning · Computer Science 2019-04-30 Mohammed Amer , Tomás Maul

Transformers have achieved remarkable success across diverse domains, but their monolithic architecture presents challenges in interpretability, adaptability, and scalability. This paper introduces a novel modular Transformer architecture…

Machine Learning · Computer Science 2025-01-07 Zhenyu Guo , Wenguang Chen

Recurrent neural networks (RNNs) trained on compositional tasks can exhibit functional modularity, in which neurons can be clustered by activity similarity and participation in shared computational subtasks. Unlike brains, these RNNs do not…

Neurons and Cognition · Quantitative Biology 2023-10-12 Ziming Liu , Mikail Khona , Ila R. Fiete , Max Tegmark

Compositional and relational learning is a hallmark of human intelligence, but one which presents challenges for neural models. One difficulty in the development of such models is the lack of benchmarks with clear compositional and…

Machine Learning · Computer Science 2020-07-09 Tim Klinger , Dhaval Adjodah , Vincent Marois , Josh Joseph , Matthew Riemer , Alex 'Sandy' Pentland , Murray Campbell

Collaborative reasoning for understanding image-question pairs is a very critical but underexplored topic in interpretable visual question answering systems. Although very recent studies have attempted to use explicit compositional…

Computer Vision and Pattern Recognition · Computer Science 2019-12-30 Qingxing Cao , Bailin Li , Xiaodan Liang , Liang Lin

Large language models (LLMs) have substantially advanced machine learning research, including natural language processing, computer vision, data mining, etc., yet they still exhibit critical limitations in explainability, reliability,…

Machine Learning · Computer Science 2025-09-19 Xin Wang , Haoyang Li , Haibo Chen , Zeyang Zhang , Wenwu Zhu

Recent years have seen the vast potential of Graph Neural Networks (GNN) in many fields where data is structured as graphs (e.g., chemistry, recommender systems). In particular, GNNs are becoming increasingly popular in the field of…

Visual question answering is fundamentally compositional in nature---a question like "where is the dog?" shares substructure with questions like "what color is the dog?" and "where is the cat?" This paper seeks to simultaneously exploit the…

Computer Vision and Pattern Recognition · Computer Science 2017-07-25 Jacob Andreas , Marcus Rohrbach , Trevor Darrell , Dan Klein

We introduce Brain-Inspired Modular Training (BIMT), a method for making neural networks more modular and interpretable. Inspired by brains, BIMT embeds neurons in a geometric space and augments the loss function with a cost proportional to…

Neural and Evolutionary Computing · Computer Science 2023-06-07 Ziming Liu , Eric Gan , Max Tegmark