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Chemical Reaction Neural Networks (CRNNs) have emerged as an interpretable machine learning framework for discovering reaction kinetics directly from data, while strictly adhering to the Arrhenius and mass action laws. However, standard…

Chemical Physics · Physics 2026-05-15 Benjamin C. Koenig , Sili Deng

Deep learning is a powerful tool whose applications in quantitative finance are growing every day. Yet, artificial neural networks behave as black boxes and this hinders validation and accountability processes. Being able to interpret the…

Pricing of Securities · Quantitative Finance 2021-04-20 Damiano Brigo , Xiaoshan Huang , Andrea Pallavicini , Haitz Saez de Ocariz Borde

Deep neural networks for medical image classification often fail to generalize consistently in clinical practice due to violations of the i.i.d. assumption and opaque decision-making. This paper examines interpretability in deep neural…

Computer Vision and Pattern Recognition · Computer Science 2025-04-09 Mohammad Hossein Najafi , Mohammad Morsali , Mohammadreza Pashanejad , Saman Soleimani Roudi , Mohammad Norouzi , Saeed Bagheri Shouraki

While deep neural networks have achieved remarkable performance, they tend to lack transparency in prediction. The pursuit of greater interpretability in neural networks often results in a degradation of their original performance. Some…

Computer Vision and Pattern Recognition · Computer Science 2024-08-09 Hefeng Wu , Hao Jiang , Keze Wang , Ziyi Tang , Xianghuan He , Liang Lin

Mechanistic interpretability is an emerging diagnostic approach for neural models that has gained traction in broader natural language processing domains. This paradigm aims to provide attribution to components of neural systems where…

Information Retrieval · Computer Science 2025-01-20 Andrew Parry , Catherine Chen , Carsten Eickhoff , Sean MacAvaney

The Evidential Regression Network (ERN) represents a novel approach that integrates deep learning with Dempster-Shafer's theory to predict a target and quantify the associated uncertainty. Guided by the underlying theory, specific…

Machine Learning · Computer Science 2024-01-04 Kai Ye , Tiejin Chen , Hua Wei , Liang Zhan

The integration of Deep Learning (DL) in System Dynamics (SD) modeling for transportation logistics offers significant advantages in scalability and predictive accuracy. However, these gains are often offset by the loss of explainability…

Artificial Intelligence · Computer Science 2025-09-11 Riccardo D'Elia , Alberto Termine , Francesco Flammini

State-of-the-art deep neural networks (DNNs) are highly effective at tackling many real-world tasks. However, their wide adoption in mission-critical contexts is hampered by two major weaknesses - their susceptibility to adversarial attacks…

Machine Learning · Computer Science 2022-11-17 Ofir Moshe , Gil Fidel , Ron Bitton , Asaf Shabtai

Deep Research Agents (DRAs) are promising agentic systems that gather and synthesize information to support research across domains such as financial decision-making, medical analysis, and scientific discovery. Despite recent improvements…

Artificial Intelligence · Computer Science 2026-02-27 Haotian Zhai , Elias Stengel-Eskin , Pratik Patil , Liu Leqi

Neural networks predictions are unreliable when the input sample is out of the training distribution or corrupted by noise. Being able to detect such failures automatically is fundamental to integrate deep learning algorithms into robotics.…

Computer Vision and Pattern Recognition · Computer Science 2020-02-18 Antonio Loquercio , Mattia Segù , Davide Scaramuzza

Deep 'Analog Artificial Neural Networks' (ANNs) perform complex classification problems with remarkably high accuracy. However, they rely on humongous amount of power to perform the calculations, veiling the accuracy benefits. The…

Emerging Technologies · Computer Science 2018-04-17 Parami Wijesinghe , Aayush Ankit , Abhronil Sengupta , Kaushik Roy

Automated medical report generation in spine radiology, i.e., given spinal medical images and directly create radiologist-level diagnosis reports to support clinical decision making, is a novel yet fundamental study in the domain of…

Computer Vision and Pattern Recognition · Computer Science 2020-04-29 Zhongyi Han , Benzheng Wei , Yilong Yin , Shuo Li

We propose a direct optimization framework for learning reduced and sparse chemical reaction networks (CRNs) from time-series trajectory data. In contrast to widely used indirect methods-such as those based on sparse identification of…

Molecular Networks · Quantitative Biology 2025-08-27 Maurice Filo , Mustafa Khammash

Rapid progress in machine learning and deep learning has enabled a wide range of applications in the electricity load forecasting of power systems, for instance, univariate and multivariate short-term load forecasting. Though the strong…

Machine Learning · Computer Science 2024-02-20 Yuqi Jiang , Yan Li , Yize Chen

Widespread adoption of AI for medical decision making is still hindered due to ethical and safety-related concerns. For AI-based decision support systems in healthcare settings it is paramount to be reliable and trustworthy. Common deep…

Machine Learning · Computer Science 2024-01-26 Adrian Lindenmeyer , Malte Blattmann , Stefan Franke , Thomas Neumuth , Daniel Schneider

Subgraph-enhanced graph neural networks (SGNN) can increase the expressive power of the standard message-passing framework. This model family represents each graph as a collection of subgraphs, generally extracted by random sampling or with…

Machine Learning · Computer Science 2023-04-17 Indro Spinelli , Michele Guerra , Filippo Maria Bianchi , Simone Scardapane

In science, we are interested not only in forecasting but also in understanding how predictions are made, specifically what the interpretable underlying model looks like. Data-driven machine learning technology can significantly streamline…

Symbolic Computation · Computer Science 2025-05-29 Weiting Liu , Jiaxu Cui , Jiao Hu , En Wang , Bo Yang

The widespread use of deep neural networks has achieved substantial success in many tasks. However, there still exists a huge gap between the operating mechanism of deep learning models and human-understandable decision making, so that…

Artificial Intelligence · Computer Science 2021-03-08 Xiaowei Zhou , Jie Yin , Ivor Tsang , Chen Wang

Spiking neural networks (SNNs) promise low-power event-driven computation for temporally rich tasks, but commonly used neuron models often trade off gradient-based trainability, dynamical richness, and high activity sparsity. These…

Neural and Evolutionary Computing · Computer Science 2026-05-13 Alex Fulleda-Garcia , Saray Soldado-Magraner , Josep Maria Margarit-Taulé

This paper provides an entry point to the problem of interpreting a deep neural network model and explaining its predictions. It is based on a tutorial given at ICASSP 2017. It introduces some recently proposed techniques of interpretation,…

Machine Learning · Computer Science 2017-11-15 Grégoire Montavon , Wojciech Samek , Klaus-Robert Müller