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Synthesizability in generative molecular design remains a pressing challenge. Existing methods to assess synthesizability span heuristics-based methods, retrosynthesis models, and synthesizability-constrained molecular generation. The…

Biomolecules · Quantitative Biology 2024-07-18 Jeff Guo , Philippe Schwaller

We present an error-detected hyperparallel Toffoli (hyper-Toffoli) gate for a three-photon system based on the interface between polarized photon and cavity-nitrogen-vacancy(NV) center system. This hyper-Toffoli gate can be used to perform…

Quantum Physics · Physics 2022-06-16 Y. M. Wu , G. Fan , F. F. Du

Generating new molecules with specified chemical and biological properties via generative models has emerged as a promising direction for drug discovery. However, existing methods require extensive training/fine-tuning with a large dataset,…

Quantitative Methods · Quantitative Biology 2023-04-25 Zichao Wang , Weili Nie , Zhuoran Qiao , Chaowei Xiao , Richard Baraniuk , Anima Anandkumar

Template based single step retrosynthesis predicts reactants by selecting and applying an explicit reaction template, making each prediction traceable to a chemical transformation rule. This is useful for synthesis planning, but template…

Machine Learning · Computer Science 2026-05-14 Mohammad Jahid Ibna Basher , Ali Khodabandeh Yalabadi , Ivan Garibay , Ozlem Ozmen Garibay

Linear reversible circuits represent a subclass of reversible circuits with many applications in quantum computing. These circuits can be efficiently simulated by classical computers and their size is polynomially bounded by the number of…

We present an n-bit Toffoli gate quantum circuit based on the realization proposed by Barenco, where some of the Toffoli gates in their construction are replaced with Peres gates. This results in a significant cost reduction. Our main…

Quantum Physics · Physics 2011-08-01 Dmitri Maslov , Gerhard W. Dueck

Image generation from scene description is a cornerstone technique for the controlled generation, which is beneficial to applications such as content creation and image editing. In this work, we aim to synthesize images from scene…

Computer Vision and Pattern Recognition · Computer Science 2020-07-17 Hung-Yu Tseng , Hsin-Ying Lee , Lu Jiang , Ming-Hsuan Yang , Weilong Yang

State-of-the-art quantum circuit optimization (QCO) algorithms for T-count reduction often lead to a substantial increase in two-qubit gate count (2Q-count) -- a drawback that existing 2Q-count optimization techniques struggle to address…

Quantum Physics · Physics 2025-08-19 Mu-Te Lau , Hsiang-Chun Yang , Hsin-Yu Chen , Chung-Yang Ric Huang

Quantum unitary synthesis addresses the problem of translating abstract quantum algorithms into sequences of hardware-executable quantum gates. Solving this task exactly is infeasible in general due to the exponential growth of the…

Quantum Physics · Physics 2026-02-19 Lukas Theißinger , Thore Gerlach , David Berghaus , Christian Bauckhage

We present a new method for the automated synthesis of digital controllers with formal safety guarantees for systems with nonlinear dynamics, noisy output measurements, and stochastic disturbances. Our method derives digital controllers…

Systems and Control · Electrical Eng. & Systems 2019-08-21 Fedor Shmarov , Sadegh Soudjani , Nicola Paoletti , Ezio Bartocci , Shan Lin , Scott A. Smolka , Paolo Zuliani

Reactive synthesis supports designers by automatically constructing correct hardware from declarative specifications. Synthesis algorithms usually compute a strategy, and then construct a circuit that implements it. In this work, we study…

Logic in Computer Science · Computer Science 2014-08-26 Roderick Bloem , Uwe Egly , Patrick Klampfl , Robert Koenighofer , Florian Lonsing

A novel approach to the synthesis of the electromagnetic field distribution in a chain of coupled resonators has been developed. This approach is based on the new matrix form of the solutions of the second-order difference equations. If a…

Accelerator Physics · Physics 2017-09-05 M. I. Ayzatsky

In this work, we present a new approach to high level synthesis (HLS), where high level functions are first mapped to an architectural template, before hardware synthesis is performed. As FPGA platforms are especially suitable for…

Hardware Architecture · Computer Science 2016-06-22 Shaoyi Cheng , John Wawrzynek

In this study, we propose an efficient quantum multiplication approach based on a QFT-assisted parallelized addition scheme. The multiplication stage is implemented using a structure composed entirely of Toffoli gates, which generate…

Quantum Physics · Physics 2026-04-03 Murat Kurtand Selçuk Çakmak , Azmi Gençten

While synthetic data generation with large language models (LLMs) is widely used in post-training pipelines, existing approaches typically generate full outputs before applying quality filters, leading to substantial token waste on samples…

Artificial Intelligence · Computer Science 2026-05-15 Anjir Ahmed Chowdhury , Syed Zawad , Feng Yan

We study the synthesis problem for distributed architectures with a parametric number of finite-state components. Parameterized specifications arise naturally in a synthesis setting, but thus far it was unclear how to detect realizability…

Logic in Computer Science · Computer Science 2015-07-01 Swen Jacobs , Roderick Bloem

Methods for automatic chemical retrosynthesis have found recent success through the application of models traditionally built for natural language processing, primarily through transformer neural networks. These models have demonstrated…

Machine Learning · Computer Science 2025-06-04 Sean Current , Ziqi Chen , Daniel Adu-Ampratwum , Xia Ning , Srinivasan Parthasarathy

Retrosynthesis planning is a fundamental challenge in chemistry which aims at designing reaction pathways from commercially available starting materials to a target molecule. Each step in multi-step retrosynthesis planning requires accurate…

Quantitative Methods · Quantitative Biology 2024-03-27 Ilia Igashov , Arne Schneuing , Marwin Segler , Michael Bronstein , Bruno Correia

We propose a method for exact circuit synthesis using a discrete gate set, as required for fault-tolerant quantum computing. Our approach translates the problem of synthesizing a gate specified by its unitary matrix into a boolean…

Quantum Physics · Physics 2025-03-20 Élie Gouzien , Nicolas Sangouard

Tensor networks provide a powerful framework for compressing multi-dimensional data. The optimal tensor network structure for a given data tensor depends on both data characteristics and specific optimality criteria, making tensor network…

Computational Engineering, Finance, and Science · Computer Science 2026-03-23 Zheng Guo , Aditya Deshpande , Brian Kiedrowski , Xinyu Wang , Alex Gorodetsky