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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

We propose V2Flow, a novel tokenizer that produces discrete visual tokens capable of high-fidelity reconstruction, while ensuring structural and latent distribution alignment with the vocabulary space of large language models (LLMs).…

Computer Vision and Pattern Recognition · Computer Science 2025-03-11 Guiwei Zhang , Tianyu Zhang , Mohan Zhou , Yalong Bai , Biye Li

Coarse Grained Reconfigurable Arrays (CGRAs) present both high flexibility and efficiency, making them well-suited for the acceleration of intensive workloads. Nevertheless, a key barrier towards their widespread adoption is posed by CGRA…

Software Engineering · Computer Science 2025-09-22 Yuxuan Wang , Cristian Tirelli , Giovanni Ansaloni , Laura Pozzi , David Atienza

Comprehensive specifications are essential for various activities across the entire validation continuum for system-on-chip (SoC) designs. However, specifications are often ambiguous, incomplete, or even contain inconsistencies or errors.…

Distributed, Parallel, and Cluster Computing · Computer Science 2020-05-05 Yuting Cao , Parijat Mukherjee , Mahesh Ketkar , Jin Yang , Hao Zheng

Many generative applications, such as synthesis-based 3D molecular design, involve constructing compositional objects with continuous features. Here, we introduce Compositional Generative Flows (CGFlow), a novel framework that extends flow…

Machine Learning · Computer Science 2025-07-16 Tony Shen , Seonghwan Seo , Ross Irwin , Kieran Didi , Simon Olsson , Woo Youn Kim , Martin Ester

Material discovery is a critical area of research with the potential to revolutionize various fields, including carbon capture, renewable energy, and electronics. However, the immense scale of the chemical space makes it challenging to…

Machine Learning · Computer Science 2024-11-01 Anuroop Sriram , Benjamin Kurt Miller , Ricky T. Q. Chen , Brandon M. Wood

As Machine Learning (ML) gains adoption across industries and new use cases, practitioners increasingly realize the challenges around effectively developing and iterating on ML systems: reproducibility, debugging, scalability, and…

Machine Learning · Computer Science 2023-03-22 Jacopo Tagliabue , Hugo Bowne-Anderson , Ville Tuulos , Savin Goyal , Romain Cledat , David Berg

Flow-based generative modeling is a powerful tool for solving inverse problems in physical sciences that can be used for sampling and likelihood evaluation with much lower inference times than traditional methods. We propose to refine flows…

Machine Learning · Computer Science 2024-10-31 Benjamin Holzschuh , Nils Thuerey

An essential part of research and scientific communication is researchers' ability to reproduce the results of others. While there have been increasing standards for authors to make data and code available, many of these files are hard to…

Digital Libraries · Computer Science 2021-09-23 Layan Bahaidarah , Ethan Hung , Andreas F. De Melo Oliveira , Jyotsna Penumaka , Lukas Rosario , Ana Trisovic

Flow-based generative models have emerged as powerful priors for solving inverse problems. One option is to directly optimize the initial latent code (noise), such that the flow output solves the inverse problem. However, this requires…

Image and Video Processing · Electrical Eng. & Systems 2026-02-10 Alexander Denker , Moshe Eliasof , Zeljko Kereta , Carola-Bibiane Schönlieb

Generative modeling has emerged as a powerful paradigm for representation learning, but its direct applicability to challenging fields like medical imaging remains limited: mere generation, without task alignment, fails to provide a robust…

Machine Learning · Computer Science 2025-10-28 Luca Caldera , Giacomo Bottacini , Lara Cavinato

Numerical investigation of compressible flows faces two main challenges. In order to accurately describe the flow characteristics, high-resolution nonlinear numerical schemes are needed to capture discontinuities and resolve wide…

Computational Physics · Physics 2020-12-09 Nils Hoppe , Stefan Adami , Nikolaus A. Adams

Programming Language Processing (PLP) using machine learning has made vast improvements in the past few years. Increasingly more people are interested in exploring this promising field. However, it is challenging for new researchers and…

Machine Learning · Computer Science 2023-06-19 Patrick Flynn , Tristan Vanderbruggen , Chunhua Liao , Pei-Hung Lin , Murali Emani , Xipeng Shen

Large Language Models (LLMs) have recently made significant advances in code generation through the 'Chain-of-Thought' prompting technique. This technique empowers the model to autonomously devise "solution plans" to tackle intricate…

Software Engineering · Computer Science 2024-03-21 Zhihong Sun , Chen Lyu , Bolun Li , Yao Wan , Hongyu Zhang , Ge Li , Zhi Jin

Flow-based generative models are powerful exact likelihood models with efficient sampling and inference. Despite their computational efficiency, flow-based models generally have much worse density modeling performance compared to…

Machine Learning · Computer Science 2019-05-17 Jonathan Ho , Xi Chen , Aravind Srinivas , Yan Duan , Pieter Abbeel

As we approach the physical limits of CMOS technology, advances in materials science and nanotechnology are making available a variety of unconventional computing substrates that can potentially replace top-down-designed silicon-based…

Emerging Technologies · Computer Science 2014-05-05 Alireza Goudarzi , Matthew R. Lakin , Darko Stefanovic

Modern code generation has made significant strides in functional correctness and execution efficiency. However, these systems often overlook a critical dimension in real-world software development: maintainability. To handle dynamic…

Software Engineering · Computer Science 2025-09-30 Zhengren Wang , Rui Ling , Chufan Wang , Yongan Yu , Sizhe Wang , Zhiyu Li , Feiyu Xiong , Wentao Zhang

Large Language Models (LLMs) are widely used in software engineering to generate, complete, translate, and fix code, improving developer productivity. While most research focuses on the energy consumption and carbon emissions of model…

Software Engineering · Computer Science 2026-04-15 Sabiya Banu Masthan Ali , Oussema Kirmani , Aroosa Hameed , Syed Muhammad Danish , Gautam Srivastava

Graphic design generation demands a delicate balance between high visual fidelity and fine-grained structural editability. However, existing approaches typically bifurcate into either non-editable raster image synthesis or abstract layout…

Graphics · Computer Science 2026-02-24 Ziyuan Liu , Shizhao Sun , Danqing Huang , Yingdong Shi , Meisheng Zhang , Ji Li , Jingsong Yu , Jiang Bian

Multimodal large language models (MLLMs) that think with images can interactively use tools to reason about visual inputs, but current approaches often rely on a narrow set of tools with limited real-world necessity and scalability. In this…

Computer Vision and Pattern Recognition · Computer Science 2025-12-04 Zirun Guo , Minjie Hong , Feng Zhang , Kai Jia , Tao Jin