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We present an interactive approach to train a deep neural network pixel classifier for the segmentation of neuronal structures. An interactive training scheme reduces the extremely tedious manual annotation task that is typically required…

Computer Vision and Pattern Recognition · Computer Science 2016-10-31 Felix Gonda , Verena Kaynig , Ray Thouis , Daniel Haehn , Jeff Lichtman , Toufiq Parag , Hanspeter Pfister

A Perceptron is a fundamental building block of a neural network. The flexibility and scalability of perceptron make it ubiquitous in building intelligent systems. Studies have shown the efficacy of a single neuron in making intelligent…

Quantum Physics · Physics 2025-03-25 Ashutosh Hathidara , Lalit Pandey

Attentional mechanisms are order-invariant. Positional encoding is a crucial component to allow attention-based deep model architectures such as Transformer to address sequences or images where the position of information matters. In this…

Machine Learning · Computer Science 2021-11-10 Yang Li , Si Si , Gang Li , Cho-Jui Hsieh , Samy Bengio

Perceptrons are neuronal devices capable of fully discriminating linearly separable classes. Although straightforward to implement and train, their applicability is usually hindered by non-trivial requirements imposed by real-world…

Neural and Evolutionary Computing · Computer Science 2016-03-23 André L. V. Coelho , Fabrício O. de França

The folding structure of the DNA molecule combined with helper molecules, also referred to as the chromatin, is highly relevant for the functional properties of DNA. The chromatin structure is largely determined by the underlying primary…

Machine Learning · Computer Science 2018-06-14 Bojian Yin , Marleen Balvert , Davide Zambrano , Alexander Schönhuth , Sander Bohte

The current biochemical information processing systems behave in a predetermined manner because all features are defined during the design phase. To make such unconventional computing systems reusable and programmable for biomedical…

Molecular Networks · Quantitative Biology 2014-07-15 Peter Banda , Christof Teuscher

As the global need for large-scale data storage is rising exponentially, existing storage technologies are approaching their theoretical and functional limits in terms of density and energy consumption, making DNA based storage a potential…

Emerging Technologies · Computer Science 2021-10-12 Yotam Nahum , Eyar Ben-Tolila , Leon Anavy

Graph Transformers have recently attracted attention for molecular property prediction by combining the inductive biases of graph neural networks (GNNs) with the global receptive field of Transformers. However, many existing hybrid…

Machine Learning · Computer Science 2026-04-09 Yi Yang , Ovidiu Daescu

Random input patterns induce a partition of the coupling space of a perceptron into cells labeled by their output sequences. Learning some data with a maximal error rate leads to clusters of neighboring cells. By analyzing the internal…

Disordered Systems and Neural Networks · Physics 2009-10-30 M. Weigt

Contrastive learning have been widely used as pretext tasks for self-supervised pre-trained molecular representation learning models in AI-aided drug design and discovery. However, exiting methods that generate molecular views by…

Biomolecules · Quantitative Biology 2023-03-14 Ziqiao Zhang , Ailin Xie , Jihong Guan , Shuigeng Zhou

Fragment-based drug design is a promising strategy leveraging the binding of small chemical moieties that can efficiently guide drug discovery. The initial step of fragment identification remains challenging, as fragments often bind weakly…

Biomolecules · Quantitative Biology 2025-09-17 Rebecca Manuela Neeser , Ilia Igashov , Arne Schneuing , Michael Bronstein , Philippe Schwaller , Bruno Correia

A key property of neural networks (both biological and artificial) is how they learn to represent and manipulate input information in order to solve a task. Different types of representations may be suited to different types of tasks,…

Machine Learning · Computer Science 2023-07-18 Ryan Pyle , Sebastian Musslick , Jonathan D. Cohen , Ankit B. Patel

Recently, a noticeable trend has emerged in developing pre-trained foundation models in the domains of CV and NLP. However, for molecular pre-training, there lacks a universal model capable of effectively applying to various categories of…

Biomolecules · Quantitative Biology 2024-05-21 Shikun Feng , Yuyan Ni , Minghao Li , Yanwen Huang , Zhi-Ming Ma , Wei-Ying Ma , Yanyan Lan

We propose a technique to detect and generate patterns in a network of locally interacting dynamical systems. Central to our approach is a novel spatial superposition logic, whose semantics is defined over the quad-tree of a partitioned…

Artificial Intelligence · Computer Science 2014-09-22 Ebru Aydin Gol , Ezio Bartocci , Calin Belta

In this paper, we present an optical computing method for string data alignment applicable to genome information analysis. By applying moire technique to spatial encoding patterns of deoxyribonucleic acid (DNA) sequences, association…

Fractional gradient descent has been studied extensively, with a focus on its ability to extend traditional gradient descent methods by incorporating fractional-order derivatives. This approach allows for more flexibility in navigating…

Machine Learning · Computer Science 2024-11-25 Teodor Alexandru Szente , James Harrison , Mihai Zanfir , Cristian Sminchisescu

In current molecular communication (MC) systems, performing computational operations at the nanoscale remains challenging, restricting their applicability in complex scenarios such as adaptive biochemical control and advanced nanoscale…

Signal Processing · Electrical Eng. & Systems 2025-03-03 Jianqiao Long , Lei Zhang , Miaowen Wen , Kezhi Wang , Natalio Krasnogor , Jichun Li

Identifying novel functional protein structures is at the heart of molecular engineering and molecular biology, requiring an often computationally exhaustive search. We introduce the use of a Deep Convolutional Generative Adversarial…

Biomolecules · Quantitative Biology 2021-04-20 Ethan Moyer , Jeff Winchell , Isamu Isozaki , Yigit Alparslan , Mali Halac , Edward Kim

Molecule generation is a challenging open problem in cheminformatics. Currently, deep generative approaches addressing the challenge belong to two broad categories, differing in how molecules are represented. One approach encodes molecular…

Machine Learning · Statistics 2020-11-02 Marco Podda , Davide Bacciu , Alessio Micheli

We present a novel framework for chemical learning based on Competitive Dimerization Networks (CDNs) - systems in which multiple molecular species, e.g. proteins or DNA/RNA oligomers, reversibly bind to form dimers. We show that these…

Statistical Mechanics · Physics 2025-06-18 Alexei V. Tkachenko , Bortolo Matteo Mognetti , Sergei Maslov