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Related papers: SAGE-Amine: Generative Amine Design with Multi-Pro…

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While cloud-resolving models can explicitly simulate the details of small-scale storm formation and morphology, these details are often ignored by climate models for lack of computational resources. Here, we explore the potential of…

Atmospheric and Oceanic Physics · Physics 2020-10-27 Griffin Mooers , Jens Tuyls , Stephan Mandt , Michael Pritchard , Tom Beucler

Fine-tuning is widely used to adapt language models for specific goals, often leveraging real-world data such as patient records, customer-service interactions, or web content in languages not covered in pre-training. These datasets are…

Machine Learning · Computer Science 2024-10-22 Masaru Isonuma , Ivan Titov

In this paper, we propose a method to build molecular cages designed to capture a specific substrate. We model a cage as a graph of atoms with coordinates in space, and several constraints on their edges (degree, length and angle). We use a…

Data Structures and Algorithms · Computer Science 2026-04-14 Noé Demange , Yann Strozecki , Sandrine Vial

Segment anything model (SAM) addresses two practical yet challenging segmentation tasks: \textbf{segment anything (SegAny)}, which utilizes a certain point to predict the mask for a single object of interest, and \textbf{segment everything…

Computer Vision and Pattern Recognition · Computer Science 2023-12-18 Chaoning Zhang , Dongshen Han , Sheng Zheng , Jinwoo Choi , Tae-Ho Kim , Choong Seon Hong

The Segment Anything Model (SAM) is a foundational model for image segmentation tasks, known for its strong generalization across diverse applications. However, its impressive performance comes with significant computational and resource…

Computer Vision and Pattern Recognition · Computer Science 2026-04-15 Xiaorui Sun , Jun Liu , Heng Tao Shen , Xiaofeng Zhu , Ping Hu

Sentence-based Image Editing (SIE) aims to deploy natural language to edit an image. Offering potentials to reduce expensive manual editing, SIE has attracted much interest recently. However, existing methods can hardly produce accurate…

Computer Vision and Pattern Recognition · Computer Science 2021-10-22 Liuqing Zhao , Fan Lyu , Fuyuan Hu , Kaizhu Huang , Fenglei Xu , Linyan Li

Dataset distillation aims to synthesize a small dataset from a large dataset, enabling the model trained on it to perform well on the original dataset. With the blooming of large language models and multimodal large language models, the…

Computer Vision and Pattern Recognition · Computer Science 2025-09-29 Zhenghao Zhao , Haoxuan Wang , Junyi Wu , Yuzhang Shang , Gaowen Liu , Yan Yan

The Shapley Additive Global Importance (SAGE) value is a theoretically appealing interpretability method that fairly attributes global importance to a model's features. However, its exact calculation requires the computation of the…

Machine Learning · Statistics 2023-04-07 Christoph Luther , Gunnar König , Moritz Grosse-Wentrup

We propose a novel Skew Gradient Embedding (SGE) framework for systematically reformulating thermodynamically consistent partial differential equation (PDE) models-capturing both reversible and irreversible processes-as generalized gradient…

Numerical Analysis · Mathematics 2025-09-24 Xuelong Gu , Qi Wang

Stacked AutoEncoders (SAE) have been widely adopted in edge anomaly detection scenarios. However, the resource-intensive nature of SAE can pose significant challenges for edge devices, which are typically resource-constrained and must adapt…

Neural and Evolutionary Computing · Computer Science 2026-03-17 Lizhao Zhang , Shengsong Kong , Tao Guo , Shaobo Li , Zhenzhou Ji

Both computational and experimental material discovery bring forth the challenge of exploring multidimensional and multimodal parameter spaces, such as phase diagrams of Hamiltonians with multiple interactions, composition spaces of…

Machine Learning · Computer Science 2024-09-20 Arpan Biswas , Rama Vasudevan , Rohit Pant , Ichiro Takeuchi , Hiroshi Funakubo , Yongtao Liu

The discovery of novel odorant molecules is key for the fragrance and flavor industries, yet efficiently navigating the vast chemical space to identify structures with desirable olfactory properties remains a significant challenge.…

Chemical Physics · Physics 2025-12-30 Tim C. Pearce , Ahmed Ibrahim

A novel system containing nanoporous materials and carbonate ions is proposed, which is capable to capture CO2 from ambient air simply by controlling the amount of water (humidity) in the system. The system absorbs CO2 from the air when the…

Chemical Physics · Physics 2017-02-02 Xiaoyang Shi , Hang Xiao , Xi Chen , Klaus. S. Lackner

Language models of code have demonstrated state-of-the-art performance across various software engineering and source code analysis tasks. However, their demanding computational resource requirements and consequential environmental…

Software Engineering · Computer Science 2025-02-12 Mootez Saad , José Antonio Hernández López , Boqi Chen , Dániel Varró , Tushar Sharma

Recent years have witnessed Spiking Neural Networks (SNNs) gaining attention for their ultra-low energy consumption and high biological plausibility compared with traditional Artificial Neural Networks (ANNs). Despite their distinguished…

Neural and Evolutionary Computing · Computer Science 2024-08-30 Jiahang Cao , Hanzhong Guo , Ziqing Wang , Deming Zhou , Hao Cheng , Qiang Zhang , Renjing Xu

Generative retrieval has recently emerged as a promising approach to sequential recommendation, framing candidate item retrieval as an autoregressive sequence generation problem. However, existing generative methods typically focus solely…

Information Retrieval · Computer Science 2024-07-04 Ye Wang , Jiahao Xun , Minjie Hong , Jieming Zhu , Tao Jin , Wang Lin , Haoyuan Li , Linjun Li , Yan Xia , Zhou Zhao , Zhenhua Dong

Sharpness-Aware Minimization (SAM) and adaptive sharpness-aware minimization (ASAM) aim to improve the model generalization. And in this project, we proposed three experiments to valid their generalization from the sharpness aware…

Machine Learning · Computer Science 2022-08-16 Jozef Marus Coldenhoff , Chengkun Li , Yurui Zhu

Design mining is the use of computational intelligence techniques to iteratively search and model the attribute space of physical objects evaluated directly through rapid prototyping to meet given objectives. It enables the exploitation of…

Neural and Evolutionary Computing · Computer Science 2022-12-05 Richard J. Preen , Larry Bull

The AdamW optimizer, while standard for LLM pretraining, is a critical memory bottleneck, consuming optimizer states equivalent to twice the model's size. Although light-state optimizers like SinkGD attempt to address this issue, we…

Machine Learning · Computer Science 2026-04-17 Wooin Lee , Hyun-Tae Kim

Billions of organic molecules are known, but only a tiny fraction of the functional inorganic materials have been discovered, a particularly relevant problem to the community searching for new quantum materials. Recent advancements in…