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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:…

机器学习 · 计算机科学 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…

无序系统与神经网络 · 物理学 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…

神经与进化计算 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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…

机器学习 · 统计学 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,…

机器学习 · 计算机科学 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…

计算机视觉与模式识别 · 计算机科学 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.,…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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,…

信息论 · 计算机科学 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…

神经元与认知 · 定量生物学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

机器学习 · 计算机科学 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…

神经元与认知 · 定量生物学 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…

机器学习 · 计算机科学 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…

神经元与认知 · 定量生物学 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…

计算机视觉与模式识别 · 计算机科学 2018-03-30 Ruth Fong , Andrea Vedaldi