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Designing a neural network architecture for molecular representation is crucial for AI-driven drug discovery and molecule design. In this work, we propose a new framework for molecular representation learning. Our contribution is threefold:…

Machine Learning · Computer Science 2022-10-18 Jiye Kim , Seungbeom Lee , Dongwoo Kim , Sungsoo Ahn , Jaesik Park

The inverse statistical problem of finding direct interactions in complex networks is difficult. In the natural sciences, well-controlled perturbation experiments are widely used to probe the structure of complex networks. However, our…

Disordered Systems and Neural Networks · Physics 2019-10-24 Jialong Jiang , David A. Sivak , Matt Thomson

In this paper, we propose a new scheme for modelling the diverse behavior of neurons. We introduce the conditional activation, in which a neurons activation function is dynamically modified by a control signal. We apply this method to…

Neural and Evolutionary Computing · Computer Science 2018-03-15 Albert Lee , Bonnie Lam , Wenyuan Li , Hochul Lee , Wei-Hao Chen , Meng-Fan Chang , Kang. -L. Wang

Understanding the inner workings of neural networks is essential for enhancing model performance and interpretability. Current research predominantly focuses on examining the connection between individual neurons and the model's final…

Computer Vision and Pattern Recognition · Computer Science 2025-02-25 Tue M. Cao , Nhat X. Hoang , Hieu H. Pham , Phi Le Nguyen , My T. Thai

Layered neural networks have greatly improved the performance of various applications including image processing, speech recognition, natural language processing, and bioinformatics. However, it is still difficult to discover or interpret…

Machine Learning · Statistics 2017-10-05 Chihiro Watanabe , Kaoru Hiramatsu , Kunio Kashino

One of the roadblocks to a better understanding of neural networks' internals is \textit{polysemanticity}, where neurons appear to activate in multiple, semantically distinct contexts. Polysemanticity prevents us from identifying concise,…

Machine Learning · Computer Science 2023-10-05 Hoagy Cunningham , Aidan Ewart , Logan Riggs , Robert Huben , Lee Sharkey

In this paper, we introduce the concept of Prior Activation Distribution (PAD) as a versatile and general technique to capture the typical activation patterns of hidden layer units of a Deep Neural Network used for classification tasks. We…

Computer Vision and Pattern Recognition · Computer Science 2019-07-08 Lakmal Meegahapola , Vengateswaran Subramaniam , Lance Kaplan , Archan Misra

Implicit Neural Representations (INRs) have gained popularity for encoding signals as compact, differentiable entities. While commonly using techniques like Fourier positional encodings or non-traditional activation functions (e.g.,…

Machine Learning · Computer Science 2024-02-09 Hemanth Saratchandran , Sameera Ramasinghe , Violetta Shevchenko , Alexander Long , Simon Lucey

A variety of methods have been proposed for interpreting nodes in deep neural networks, which typically involve scoring nodes at lower layers with respect to their effects on the output of higher-layer nodes (where lower and higher layers…

Machine Learning · Computer Science 2018-12-04 Jonathan Warrell , Hussein Mohsen , Mark Gerstein

We model sensory streams as observations from high-dimensional stochastic dynamical systems and conceptualize sensory neurons as self-supervised learners of compact representations of such dynamics. From prior experience, neurons learn…

We introduce a new tool for interpreting neural net responses, namely full-gradients, which decomposes the neural net response into input sensitivity and per-neuron sensitivity components. This is the first proposed representation which…

Machine Learning · Computer Science 2019-12-04 Suraj Srinivas , Francois Fleuret

Extracting the spectral representations of the neural processes that underlie spiking activity is key to understanding how the brain rhythms mediate cognitive functions. While spectral estimation of continuous time-series is well studied,…

Information Theory · Computer Science 2020-12-02 Anuththara Rupasinghe , Behtash Babadi

For the study of functional aspects of the brain network. This paper is a study on the hypergraph representation, based on the functional regions of the brain network. A new parameter that can measure how many multifunctioning regions each…

Neurons and Cognition · Quantitative Biology 2023-12-20 Anagha P , Selvakumar R

The demand for more transparency of decision-making processes of deep reinforcement learning agents is greater than ever, due to their increased use in safety critical and ethically challenging domains such as autonomous driving. In this…

Machine Learning · Computer Science 2020-04-08 Richard Meyes , Moritz Schneider , Tobias Meisen

Concept probing has recently gained popularity as a way for humans to peek into what is encoded within artificial neural networks. In concept probing, additional classifiers are trained to map the internal representations of a model into…

Machine Learning · Computer Science 2025-07-28 Manuel de Sousa Ribeiro , Afonso Leote , João Leite

Representations of multivariate functions with low-dimensional functions that depend on subsets of original coordinates (corresponding of different orders of coupling) are useful in quantum dynamics and other applications, especially where…

Machine Learning · Computer Science 2024-06-26 Sergei Manzhos , Manabu Ihara

The representations of neural networks are often compared to those of biological systems by performing regression between the neural network responses and those measured from biological systems. Many different state-of-the-art deep neural…

Neurons and Cognition · Quantitative Biology 2023-12-13 Abdulkadir Canatar , Jenelle Feather , Albert Wakhloo , SueYeon Chung

We propose an efficient and interpretable neural network with a novel activation function called the weighted Lehmer transform. This new activation function enables adaptive feature selection and extends to the complex domain, capturing…

Machine Learning · Computer Science 2025-01-28 Masoud Ataei , Xiaogang Wang

The ongoing exponential rise in recording capacity calls for new approaches for analysing and interpreting neural data. Effective dimensionality has emerged as an important property of neural activity across populations of neurons, yet…

Neurons and Cognition · Quantitative Biology 2021-08-30 Mehrdad Jazayeri , Srdjan Ostojic

In an effort to understand the meaning of the intermediate representations captured by deep networks, recent papers have tried to associate specific semantic concepts to individual neural network filter responses, where interesting…

Computer Vision and Pattern Recognition · Computer Science 2018-03-30 Ruth Fong , Andrea Vedaldi