相关论文: Interpretable Deep Learning in Drug Discovery

Methods for understanding the decisions of and mechanisms underlying deep neural networks (DNNs) typically rely on building intuition by emphasizing sensory or semantic features of individual examples. For instance, methods aim to visualize…

Deep Neural Networks (DNNs) deliver state-of-the-art performance in many image recognition and understanding applications. However, despite their outstanding performance, these models are black-boxes and it is hard to understand how they…

Even though neural networks have been long deployed in applications involving tabular data, still existing neural architectures are not explainable by design. In this paper, we propose a new class of interpretable neural networks for…

Artificial neural networks have proven to be extremely useful models that have allowed for multiple recent breakthroughs in the field of Artificial Intelligence and many others. However, they are typically regarded as black boxes, given how…

Deep learning algorithms are growing in popularity in the field of exoplanetary science due to their ability to model highly non-linear relations and solve interesting problems in a data-driven manner. Several works have attempted to…

The conventional, widely used treatment of deep learning models as black boxes provides limited or no insights into the mechanisms that guide neural network decisions. Significant research effort has been dedicated to building interpretable…

Deep neural networks have achieved state of the art accuracy at classifying molecules with respect to whether they bind to specific protein targets. A key breakthrough would occur if these models could reveal the fragment pharmacophores…

Deep neural networks have become essential for numerous applications due to their strong empirical performance such as vision, RL, and classification. Unfortunately, these networks are quite difficult to interpret, and this limits their…

The ``black-box'' nature of deep learning models presents a significant barrier to their adoption for scientific discovery, where interpretability is paramount. This challenge is especially pronounced in discovering the governing equations…

Deep Neural Networks (DNNs) are widely used for decision making in a myriad of critical applications, ranging from medical to societal and even judicial. Given the importance of these decisions, it is crucial for us to be able to interpret…

With the continue development of Convolutional Neural Networks (CNNs), there is a growing concern regarding representations that they encode internally. Analyzing these internal representations is referred to as model interpretation. While…

Deep neural networks (DNNs) have demonstrated impressive performance on a wide array of tasks, but they are usually considered opaque since internal structure and learned parameters are not interpretable. In this paper, we re-examine the…

Deep neural networks are vulnerable to adversarial attacks and hard to interpret because of their black-box nature. The recently proposed invertible network is able to accurately reconstruct the inputs to a layer from its outputs, thus has…

Interpretable insights from predictive models remain critical in bio-statistics, particularly when assessing causality, where classical statistical and machine learning methods often provide inherent clarity. While Neural Networks (NNs)…

State of the art machine learning algorithms are highly optimized to provide the optimal prediction possible, naturally resulting in complex models. While these models often outperform simpler more interpretable models by order of…

Human brains lie at the core of complex neurobiological systems, where the neurons, circuits, and subsystems interact in enigmatic ways. Understanding the structural and functional mechanisms of the brain has long been an intriguing pursuit…

As deep learning systems are scaled up to many billions of parameters, relating their internal structure to external behaviors becomes very challenging. Although daunting, this problem is not new: Neuroscientists and cognitive scientists…

Computer vision systems in real-world applications need to be robust to partial occlusion while also being explainable. In this work, we show that black-box deep convolutional neural networks (DCNNs) have only limited robustness to partial…

In this paper, we propose Describe-and-Dissect (DnD), a novel method to describe the roles of hidden neurons in vision networks. DnD utilizes recent advancements in multimodal deep learning to produce complex natural language descriptions,…

Recent advancements in post-hoc and inherently interpretable methods have markedly enhanced the explanations of black box classifier models. These methods operate either through post-analysis or by integrating concept learning during model…