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The computational cost associated with simulating fluid flows can make it infeasible to run many simulations across multiple flow conditions. Building upon concepts from generative modeling, we introduce a new method for learning neural…

Computational Physics · Physics 2019-12-17 Jeremy Morton , Freddie D. Witherden , Mykel J. Kochenderfer

Scientific progress increasingly depends on synthesizing knowledge across vast literature, yet most experimental data remains trapped in semi-structured formats that resist systematic extraction and analysis. Here, we present MatSKRAFT, a…

Information Retrieval · Computer Science 2025-09-15 Kausik Hira , Mohd Zaki , Mausam , N. M. Anoop Krishnan

Procedural content generation (PCG) is a growing field, with numerous applications in the video game industry and great potential to help create better games at a fraction of the cost of manual creation. However, much of the work in PCG is…

Artificial Intelligence · Computer Science 2023-07-20 Michael Beukman , Manuel Fokam , Marcel Kruger , Guy Axelrod , Muhammad Nasir , Branden Ingram , Benjamin Rosman , Steven James

Generative art unlocks boundless creative possibilities, yet its full potential remains untapped due to the technical expertise required for advanced architectural concepts and computational workflows. To bridge this gap, we present…

Computer Vision and Pattern Recognition · Computer Science 2025-09-11 Duc-Hung Nguyen , Huu-Phuc Huynh , Minh-Triet Tran , Trung-Nghia Le

In materials science, the challenge of rapid prototyping materials with desired properties often involves extensive experimentation to find suitable microstructures. Additionally, finding microstructures for given properties is typically an…

Machine Learning · Computer Science 2024-05-22 Sébastien Bompas , Stefan Sandfeld

In this paper, we present a machine learning-based data generator framework tailored to aid researchers who utilize simulations to examine various physical systems or processes. High computational costs and the resulting limited data often…

Machine Learning · Computer Science 2023-05-17 Sabber Ahamed , Md Mesbah Uddin

Scene graphs provide a rich, structured representation of a scene by encoding the entities (objects) and their spatial relationships in a graphical format. This representation has proven useful in several tasks, such as question answering,…

Computer Vision and Pattern Recognition · Computer Science 2022-12-01 Sanjoy Kundu , Sathyanarayanan N. Aakur

Discovering new drug molecules is a pivotal yet challenging process due to the near-infinitely large chemical space and notorious demands on time and resources. Numerous generative models have recently been introduced to accelerate the drug…

Computational Engineering, Finance, and Science · Computer Science 2025-12-23 Shitong Luo , Wenhao Gao , Zuofan Wu , Jian Peng , Connor W. Coley , Jianzhu Ma

To capture the semantic graph structure from raw text, most existing summarization approaches are built on GNNs with a pre-trained model. However, these methods suffer from cumbersome procedures and inefficient computations for long-text…

Computation and Language · Computer Science 2021-10-22 Ye Liu , Jian-Guo Zhang , Yao Wan , Congying Xia , Lifang He , Philip S. Yu

This paper presents a novel generative model to synthesize fluid simulations from a set of reduced parameters. A convolutional neural network is trained on a collection of discrete, parameterizable fluid simulation velocity fields. Due to…

Machine Learning · Computer Science 2019-09-05 Byungsoo Kim , Vinicius C. Azevedo , Nils Thuerey , Theodore Kim , Markus Gross , Barbara Solenthaler

As generative models become ubiquitous, there is a critical need for fine-grained control over the generation process. Yet, while controlled generation methods from prompting to fine-tuning proliferate, a fundamental question remains…

Artificial Intelligence · Computer Science 2026-01-12 Emily Cheng , Carmen Amo Alonso , Federico Danieli , Arno Blaas , Luca Zappella , Pau Rodriguez , Xavier Suau

Deep generative models are able to suggest new organic molecules by generating strings, trees, and graphs representing their structure. While such models allow one to generate molecules with desirable properties, they give no guarantees…

Machine Learning · Computer Science 2019-12-05 John Bradshaw , Brooks Paige , Matt J. Kusner , Marwin H. S. Segler , José Miguel Hernández-Lobato

Foundation models are applied in a broad spectrum of settings with different inference constraints, from massive multi-accelerator clusters to resource-constrained standalone mobile devices. However, the substantial costs associated with…

Procedural content generation via machine learning (PCGML) is typically framed as the task of fitting a generative model to full-scale examples of a desired content distribution. This approach presents a fundamental tension: the more design…

Machine Learning · Computer Science 2018-09-13 Isaac Karth , Adam M. Smith

Discrete-Time Dynamic Graphs (DTDGs), which are prevalent in real-world implementations and notable for their ease of data acquisition, have garnered considerable attention from both academic researchers and industry practitioners. The…

Machine Learning · Computer Science 2024-07-29 Xi Chen , Yun Xiong , Siwei Zhang , Jiawei Zhang , Yao Zhang , Shiyang Zhou , Xixi Wu , Mingyang Zhang , Tengfei Liu , Weiqiang Wang

Molecular dynamics (MD) is a powerful technique for studying microscopic phenomena, but its computational cost has driven significant interest in the development of deep learning-based surrogate models. We introduce generative modeling of…

Biomolecules · Quantitative Biology 2024-09-27 Bowen Jing , Hannes Stärk , Tommi Jaakkola , Bonnie Berger

Generating images from semantic visual knowledge is a challenging task, that can be useful to condition the synthesis process in complex, subtle, and unambiguous ways, compared to alternatives such as class labels or text descriptions.…

Computer Vision and Pattern Recognition · Computer Science 2022-07-04 Renato Sortino , Simone Palazzo , Concetto Spampinato

Transformers are effective and efficient at modeling complex relationships and learning patterns from structured data in many applications. The main aim of this paper is to propose and design NLAFormer, which is a transformer-based…

Numerical Analysis · Mathematics 2025-08-28 Zhantao Ma , Yihang Gao , Michael K. Ng

The rise of graph-structured data has driven interest in graph learning and synthetic data generation. While successful in text and image domains, synthetic graph generation remains challenging -- especially for real-world graphs with…

Machine Learning · Computer Science 2025-07-29 Tianhao Wang , Simon Klancher , Kunal Mukherjee , Josh Wiedemeier , Feng Chen , Murat Kantarcioglu , Kangkook Jee

We consider the problem of molecular graph generation using deep models. While graphs are discrete, most existing methods use continuous latent variables, resulting in inaccurate modeling of discrete graph structures. In this work, we…

Machine Learning · Computer Science 2021-06-03 Youzhi Luo , Keqiang Yan , Shuiwang Ji
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