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We consider how to generate chemical reaction networks (CRNs) from functional specifications. We propose a two-stage approach that combines synthesis by satisfiability modulo theories and Markov chain Monte Carlo based optimisation. First,…

Emerging Technologies · Computer Science 2015-08-19 Neil Dalchau , Niall Murphy , Rasmus Petersen , Boyan Yordanov

Neural networks performance has been significantly improved in the last few years, at the cost of an increasing number of floating point operations per second (FLOPs). However, more FLOPs can be an issue when computational resources are…

Computer Vision and Pattern Recognition · Computer Science 2022-12-08 Thibault Castells , Seul-Ki Yeom

In software reverse engineering, decompilation is the process of recovering source code from binary files. Decompilers are used when it is necessary to understand or analyze software for which the source code is not available. Although…

Software Engineering · Computer Science 2021-02-25 Javier Escalada , Ted Scully , Francisco Ortin

Although backpropagation is widely accepted as a training algorithm for artificial neural networks, researchers are always looking for inspiration from the brain to find ways with potentially better performance. Forward-Forward is a novel…

Computer Vision and Pattern Recognition · Computer Science 2025-12-02 Hossein Aghagolzadeh , Mehdi Ezoji

Improving the ability to predict protein function can potentially facilitate research in the fields of drug discovery and precision medicine. Technically, the properties of proteins are directly or indirectly reflected in their sequence and…

Biomolecules · Quantitative Biology 2024-11-19 Runze Ma , Chengxin He , Huiru Zheng , Xinye Wang , Haiying Wang , Yidan Zhang , Lei Duan

Random backpropagation (RBP) is a variant of the backpropagation algorithm for training neural networks, where the transpose of the forward matrices are replaced by fixed random matrices in the calculation of the weight updates. It is…

Machine Learning · Computer Science 2017-12-25 Pierre Baldi , Peter Sadowski , Zhiqin Lu

The use of deep learning techniques has achieved significant progress for program synthesis from input-output examples. However, when the program semantics become more complex, it still remains a challenge to synthesize programs that are…

Machine Learning · Computer Science 2020-10-23 Kavi Gupta , Peter Ebert Christensen , Xinyun Chen , Dawn Song

Automated scraping stands out as a common method for collecting data in deep learning models without the authorization of data owners. Recent studies have begun to tackle the privacy concerns associated with this data collection method.…

Machine Learning · Computer Science 2026-05-25 Thushari Hapuarachchi , Jing Lin , Kaiqi Xiong , Mohamed Rahouti , Gitte Ost

Deeply-learned planning methods are often based on learning representations that are optimized for unrelated tasks. For example, they might be trained on reconstructing the environment. These representations are then combined with predictor…

Machine Learning · Computer Science 2021-03-18 Hlynur Davíð Hlynsson , Merlin Schüler , Robin Schiewer , Tobias Glasmachers , Laurenz Wiskott

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

Errors in data are usually unwelcome and so some means to correct them is useful. However, it is difficult to define, detect or correct errors in an unsupervised way. Here, we train a deep neural network to re-synthesize its inputs at its…

Machine Learning · Computer Science 2015-02-17 Andrew J. R. Simpson

In general, neural networks are not currently capable of learning tasks in a sequential fashion. When a novel, unrelated task is learnt by a neural network, it substantially forgets how to solve previously learnt tasks. One of the original…

Machine Learning · Computer Science 2018-05-08 Craig Atkinson , Brendan McCane , Lech Szymanski , Anthony Robins

Synthesis planning and reaction outcome prediction are two fundamental problems in computer-aided organic chemistry for which a variety of data-driven approaches have emerged. Natural language approaches that model each problem as a…

Machine Learning · Computer Science 2021-10-20 Zhengkai Tu , Connor W. Coley

We introduce the first learning-based reconstructability predictor to improve view and path planning for large-scale 3D urban scene acquisition using unmanned drones. In contrast to previous heuristic approaches, our method learns a model…

Graphics · Computer Science 2022-09-22 Yilin Liu , Liqiang Lin , Yue Hu , Ke Xie , Chi-Wing Fu , Hao Zhang , Hui Huang

Reactive synthesis is a paradigm for automatically building correct-by-construction systems that interact with an unknown or adversarial environment. We study how to do reactive synthesis when part of the specification of the system is that…

Logic in Computer Science · Computer Science 2018-04-23 Daniel J. Fremont , Sanjit A. Seshia

Reactive synthesis is the task of automatically deriving a correct implementation from a specification. It is a promising technique for the development of verified programs and hardware. Despite recent advances in terms of algorithms and…

Logic in Computer Science · Computer Science 2021-12-17 Bernd Finkbeiner , Gideon Geier , Noemi Passing

We propose proximal backpropagation (ProxProp) as a novel algorithm that takes implicit instead of explicit gradient steps to update the network parameters during neural network training. Our algorithm is motivated by the step size…

Machine Learning · Computer Science 2018-02-21 Thomas Frerix , Thomas Möllenhoff , Michael Moeller , Daniel Cremers

Recently, a large number of efficient deep learning methods for solving inverse problems have been developed and show outstanding numerical performance. For these deep learning methods, however, a solid theoretical foundation in the form of…

Numerical Analysis · Mathematics 2020-02-04 Daniel Obmann , Johannes Schwab , Markus Haltmeier

Neural Machine Translation has achieved state-of-the-art performance for several language pairs using a combination of parallel and synthetic data. Synthetic data is often generated by back-translating sentences randomly sampled from…

Computation and Language · Computer Science 2018-09-24 Marzieh Fadaee , Christof Monz

Deep neural networks often develop spurious bias, reliance on correlations between non-essential features and classes for predictions. For example, a model may identify objects based on frequently co-occurring backgrounds rather than…

Machine Learning · Computer Science 2025-06-02 Guangtao Zheng , Wenqian Ye , Aidong Zhang