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Inverse design of heterogeneous material microstructures is a fundamentally ill-posed and famously computationally expensive problem. This is exacerbated by the high-dimensional design spaces associated with finely resolved images,…

Machine Learning · Computer Science 2026-03-17 Reza T. Batley , Sourav Saha

Inverse molecular design, i.e., designing molecules with specific target properties, can be posed as an optimization problem. High-dimensional optimization tasks in the natural sciences are commonly tackled via population-based…

Neural and Evolutionary Computing · Computer Science 2021-08-17 AkshatKumar Nigam , Robert Pollice , Alan Aspuru-Guzik

The generation of high-quality synthetic data presents significant challenges in machine learning research, particularly regarding statistical fidelity and uncertainty quantification. Existing generative models produce compelling synthetic…

Machine Learning · Computer Science 2025-05-13 Rahul Vishwakarma , Shrey Dharmendra Modi , Vishwanath Seshagiri

Graph Neural Networks (GNNs) have demonstrated remarkable performance across various applications, yet they are vulnerable to sophisticated adversarial attacks, particularly node injection attacks. The success of such attacks heavily relies…

Machine Learning · Computer Science 2025-09-17 Jiahao Zhang , Xiaobing Pei , Zhaokun Zhong , Wenqiang Hao , Zhenghao Tang

In modern science, the growing complexity of large-scale scientific projects has led to an increasing reliance on cross-facility scientific workflows, where resources and expertise from multiple institutions and geographic locations are…

Distributed, Parallel, and Cluster Computing · Computer Science 2025-12-01 Vladislav Esaulov , Jieyang Chen , Norbert Podhorszki , Fred Suter , Scott Klasky , Anu G Bourgeois , Lipeng Wan

Deep neural networks (DNNs) have made a revolution in numerous fields during the last decade. However, in tasks with high safety requirements, such as medical or autonomous driving applications, providing an assessment of the models…

Machine Learning · Computer Science 2020-11-20 Omer Achrack , Raizy Kellerman , Ouriel Barzilay

Inverse problems and inverse design in multiphase media, i.e., recovering or engineering microstructures to achieve target macroscopic responses, require operating on discrete-valued material fields, rendering the problem non-differentiable…

Machine Learning · Statistics 2026-02-17 Matthaios Chatzopoulos , Phaedon-Stelios Koutsourelakis

Generative Adversarial Networks (GANs) are proficient at generating synthetic data but continue to suffer from mode collapse, where the generator produces a narrow range of outputs that fool the discriminator but fail to capture the full…

Machine Learning · Computer Science 2025-11-03 Mahsa Valizadeh , Rui Tuo , James Caverlee

Synthetic data generation for tabular datasets must balance fidelity, efficiency, and versatility to meet the demands of real-world applications. We introduce the Tabular Auto-Regressive Generative Network (TabularARGN), a flexible…

Machine Learning · Computer Science 2025-02-07 Paul Tiwald , Ivona Krchova , Andrey Sidorenko , Mariana Vargas Vieyra , Mario Scriminaci , Michael Platzer

Crash data is often greatly imbalanced, with the majority of crashes being non-fatal crashes, and only a small number being fatal crashes due to their rarity. Such data imbalance issue poses a challenge for crash severity modeling since it…

Machine Learning · Computer Science 2024-04-04 Junlan Chen , Ziyuan Pu , Nan Zheng , Xiao Wen , Hongliang Ding , Xiucheng Guo

Automated CT triage requires models that are simultaneously accurate across diverse pathologies and reliable under institutional shift. While Vision Transformers provide strong visual representations, many clinically significant findings…

Computer Vision and Pattern Recognition · Computer Science 2026-05-14 Lavsen Dahal , Yubraj Bhandari , Geoffrey Rubin , Joseph Y. Lo

Scaling data volume and diversity is critical for generalizing embodied intelligence. While synthetic data generation offers a scalable alternative to expensive physical data acquisition, existing pipelines remain fragmented and…

In this paper, we introduce Janus, an autoregressive framework that unifies multimodal understanding and generation. Prior research often relies on a single visual encoder for both tasks, such as Chameleon. However, due to the differing…

Computer Vision and Pattern Recognition · Computer Science 2024-10-18 Chengyue Wu , Xiaokang Chen , Zhiyu Wu , Yiyang Ma , Xingchao Liu , Zizheng Pan , Wen Liu , Zhenda Xie , Xingkai Yu , Chong Ruan , Ping Luo

High-fidelity Monte Carlo simulations and complex inverse problems, such as mapping smeared experimental observations to ground-truth states, are computationally intensive yet essential for robust data analysis. Conditional Flow Matching…

Machine Learning · Computer Science 2026-04-03 Zeyu Xia , Tyler Kim , Trevor Reed , Judy Fox , Geoffrey Fox , Adam Szczepaniak

Deep Generative Models (DGMs) have been shown to be powerful tools for generating tabular data, as they have been increasingly able to capture the complex distributions that characterize them. However, to generate realistic synthetic data,…

Machine Learning · Computer Science 2024-02-08 Mihaela Cătălina Stoian , Salijona Dyrmishi , Maxime Cordy , Thomas Lukasiewicz , Eleonora Giunchiglia

We develop a generative model-based approach to Bayesian inverse problems, such as image reconstruction from noisy and incomplete images. Our framework addresses two common challenges of Bayesian reconstructions: 1) It makes use of complex,…

Machine Learning · Statistics 2019-10-24 Vanessa Böhm , François Lanusse , Uroš Seljak

To address the intermittency of renewable energy source (RES) generation, scenario forecasting offers a series of stochastic realizations for predictive objects with superior flexibility and direct views. Based on a long time-series…

Machine Learning · Computer Science 2025-09-23 Yifei Wu , Bo Wang , Jingshi Cui , Pei-chun Lin , Junzo Watada

With the widespread deployment of deep neural networks (DNNs), ensuring the reliability of DNN-based systems is of great importance. Serious reliability issues such as system failures can be caused by numerical defects, one of the most…

Software Engineering · Computer Science 2023-04-25 Linyi Li , Yuhao Zhang , Luyao Ren , Yingfei Xiong , Tao Xie

Synthetic tabular data generation addresses data scarcity and privacy constraints in a variety of domains. Tabular Prior-Data Fitted Network (TabPFN), a recent foundation model for tabular data, has been shown capable of generating…

Machine Learning · Computer Science 2026-03-12 Davide Tugnoli , Andrea De Lorenzo , Marco Virgolin , Giovanni Cinà

The rapid evolution of deep neural networks is demanding deep learning (DL) frameworks not only to satisfy the requirement of quickly executing large computations, but also to support straightforward programming models for quickly…

Programming Languages · Computer Science 2019-03-12 Eunji Jeong , Sungwoo Cho , Gyeong-In Yu , Joo Seong Jeong , Dong-Jin Shin , Byung-Gon Chun
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