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Retrosynthesis prediction is one of the fundamental challenges in organic synthesis. The task is to predict the reactants given a core product. With the advancement of machine learning, computer-aided synthesis planning has gained…

Chemical Physics · Physics 2022-02-01 Yue Wan , Benben Liao , Chang-Yu Hsieh , Shengyu Zhang

Preconditioning is at the heart of iterative solutions of large, sparse linear systems of equations in scientific disciplines. Several algebraic approaches, which access no information beyond the matrix itself, are widely studied and used,…

Numerical Analysis · Mathematics 2025-01-28 Jie Chen

The Transformer architecture has become a cornerstone of modern artificial intelligence, but its core self-attention mechanism suffers from a complexity bottleneck that scales quadratically with sequence length, severely limiting its…

Machine Learning · Computer Science 2025-08-29 Zhongpan Tang

Recent research in the design of end to end communication system using deep learning has produced models which can outperform traditional communication schemes. Most of these architectures leveraged autoencoders to design the encoder at the…

Information Theory · Computer Science 2020-01-28 Vishnu Raj , Sheetal Kalyani

This work aims to accelerate the convergence of proximal gradient methods used to solve regularized linear inverse problems. This is achieved by designing a polynomial-based preconditioner that targets the eigenvalue spectrum of the normal…

Recurrent Neural Networks were, until recently, one of the best ways to capture the timely dependencies in sequences. However, with the introduction of the Transformer, it has been proven that an architecture with only attention-mechanisms…

Machine Learning · Computer Science 2021-08-19 Radostin Cholakov , Todor Kolev

We propose TabTransformer, a novel deep tabular data modeling architecture for supervised and semi-supervised learning. The TabTransformer is built upon self-attention based Transformers. The Transformer layers transform the embeddings of…

Machine Learning · Computer Science 2020-12-15 Xin Huang , Ashish Khetan , Milan Cvitkovic , Zohar Karnin

The performance of time series forecasting has recently been greatly improved by the introduction of transformers. In this paper, we propose a general multi-scale framework that can be applied to the state-of-the-art transformer-based time…

Machine Learning · Computer Science 2023-02-08 Amin Shabani , Amir Abdi , Lili Meng , Tristan Sylvain

Recursive (looped) Transformers decouple computational depth from parameter depth by repeatedly applying shared layers, providing an explicit architectural primitive for iterative refinement and latent reasoning. However, early looped…

Machine Learning · Computer Science 2026-04-21 Chengting Yu , Xiaobo Shu , Yadao Wang , Yizhen Zhang , Haoyi Wu , You Wu , Rujiao Long , Ziheng Chen , Yuchi Xu , Wenbo Su , Bo Zheng

Optimization-based solvers play a central role in a wide range of signal processing and communication tasks. However, their applicability in latency-sensitive systems is limited by the sequential nature of iterative methods and the high…

Signal Processing · Electrical Eng. & Systems 2026-03-12 Dvir Avrahami , Amit Milstein , Caroline Chaux , Tirza Routtenberg , Nir Shlezinger

Transformer model architectures have garnered immense interest lately due to their effectiveness across a range of domains like language, vision and reinforcement learning. In the field of natural language processing for example,…

Machine Learning · Computer Science 2022-03-15 Yi Tay , Mostafa Dehghani , Dara Bahri , Donald Metzler

Effectively learning from sequential data is a longstanding goal of Artificial Intelligence, especially in the case of long sequences. From the dawn of Machine Learning, several researchers have pursued algorithms and architectures capable…

Machine Learning · Computer Science 2025-08-19 Matteo Tiezzi , Michele Casoni , Alessandro Betti , Marco Gori , Stefano Melacci

Precise load forecasting in buildings could increase the bill savings potential and facilitate optimized strategies for power generation planning. With the rapid evolution of computer science, data-driven techniques, in particular the Deep…

Machine Learning · Computer Science 2023-01-30 Menna Nawar , Moustafa Shomer , Samy Faddel , Huangjie Gong

Solving systems of linear equations is a problem occuring frequently in water engineering applications. Usually the size of the problem is too large to be solved via direct factorization. One can resort to iterative approaches, in…

Machine Learning · Computer Science 2019-06-18 Johannes Sappl , Laurent Seiler , Matthias Harders , Wolfgang Rauch

This paper presents a transformative framework for artificial neural networks over graded vector spaces, tailored to model hierarchical and structured data in fields like algebraic geometry and physics. By exploiting the algebraic…

Artificial Intelligence · Computer Science 2026-01-07 Tony Shaska

Efficient numerical solvers for sparse linear systems are crucial in science and engineering. One of the fastest methods for solving large-scale sparse linear systems is algebraic multigrid (AMG). The main challenge in the construction of…

Machine Learning · Computer Science 2020-09-25 Ilay Luz , Meirav Galun , Haggai Maron , Ronen Basri , Irad Yavneh

For the solution of discrete ill-posed problems, in this paper a novel preconditioned iterative method based on the Arnoldi algorithm for matrix functions is presented. The method is also extended to work in connection with Tikhonov…

Numerical Analysis · Mathematics 2011-11-18 Paolo Novati , Michela Redivo-Zaglia , Maria Rosaria Russo

This paper outlines the use of Transformer networks trained to translate math word problems to equivalent arithmetic expressions in infix, prefix, and postfix notations. We compare results produced by many neural configurations and find…

Computation and Language · Computer Science 2021-06-03 Kaden Griffith , Jugal Kalita

This paper presents a residual-informed machine learning approach for replacing algebraic loops in equation-based Modelica models with neural network surrogates. A feedforward neural network is trained using the residual (error) of the…

Machine Learning · Computer Science 2025-10-13 Felix Brandt , Andreas Heuermann , Philip Hannebohm , Bernhard Bachmann

In this work, we propose a model order reduction framework to deal with inverse problems in a non-intrusive setting. Inverse problems, especially in a partial differential equation context, require a huge computational load due to the…

Numerical Analysis · Mathematics 2024-01-22 Anna Ivagnes , Nicola Demo , Gianluigi Rozza