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Discovering heterogeneous catalysts tailored for specific reaction intermediates remains a fundamental bottleneck in materials science. While traditional trial-and-error methods and recent generative models have shown promise, they struggle…

Materials Science · Physics 2026-05-19 Minkyu Kim , Nayoung Kim , Honghui Kim , Sungsoo Ahn

Compact models often lose the structure of their embedding space. The issue shows up when the capacity is tight or the data spans several languages. Such collapse makes it difficult for downstream tasks to build on the resulting…

Computation and Language · Computer Science 2026-01-05 Chung-Wei Victor Yuan

The applications being developed within the U.S. Exascale Computing Project (ECP) to run on imminent Exascale computers will generate scientific results with unprecedented fidelity and record turn-around time. Many of these codes are based…

Distributed, Parallel, and Cluster Computing · Computer Science 2021-08-04 Lipeng Wan , Axel Huebl , Junmin Gu , Franz Poeschel , Ana Gainaru , Ruonan Wang , Jieyang Chen , Xin Liang , Dmitry Ganyushin , Todd Munson , Ian Foster , Jean-Luc Vay , Norbert Podhorszki , Kesheng Wu , Scott Klasky

Dynamic graph clustering aims to detect and track time-varying clusters in dynamic graphs, revealing the evolutionary mechanisms of complex real-world dynamic systems. Matrix factorization-based methods are promising approaches for this…

Machine Learning · Computer Science 2025-02-11 Dongyuan Li , Satoshi Kosugi , Ying Zhang , Manabu Okumura , Feng Xia , Renhe Jiang

Graph-based Retrieval-Augmented Generation (Graph-RAG) enhances large language models (LLMs) by structuring retrieval over an external corpus. However, existing approaches typically assume a static corpus, requiring expensive full-graph…

Information Retrieval · Computer Science 2025-07-08 Fangyuan Zhang , Zhengjun Huang , Yingli Zhou , Qintian Guo , Zhixun Li , Wensheng Luo , Di Jiang , Yixiang Fang , Xiaofang Zhou

Dataset distillation seeks to synthesize a highly compact dataset that achieves performance comparable to the original dataset on downstream tasks. For the classification task that use pre-trained self-supervised models as backbones,…

Computer Vision and Pattern Recognition · Computer Science 2026-05-12 Qianxin Xia , Jiawei Du , Xin Zhang , Yuhan Zhang , Jielei Wang , Guoming Lu

Large language models (LLMs) have shown remarkable reasoning capabilities when trained with chain-of-thought (CoT) supervision. However, the long and verbose CoT traces, especially those distilled from large reasoning models (LRMs) such as…

Machine Learning · Computer Science 2025-06-05 Jinghan Jia , Hadi Reisizadeh , Chongyu Fan , Nathalie Baracaldo , Mingyi Hong , Sijia Liu

Modern large language model-based reasoning systems frequently recompute similar reasoning steps across tasks, wasting computational resources, inflating inference latency, and limiting reproducibility. These inefficiencies underscore the…

Artificial Intelligence · Computer Science 2025-11-21 Yash Raj Singh

When the color distribution of input images changes at inference, the performance of conventional neural network architectures drops considerably. A few researchers have begun to incorporate prior knowledge of color geometry in neural…

Computer Vision and Pattern Recognition · Computer Science 2026-03-17 Yulong Yang , Zhikun Xu , Yaojun Li , Christine Allen-Blanchette

Synthesis of distributed protocols is a hard, often undecidable, problem. Completion techniques provide partial remedy by turning the problem into a search problem. However, the space of candidate completions is still massive. In this…

Logic in Computer Science · Computer Science 2023-07-31 Derek Egolf , Stavros Tripakis

E-graphs have emerged as a versatile data structure with applications in synthesis, optimization, and verification through techniques such as equality saturation. This paper introduces Python bindings for the experimental egglog library…

Programming Languages · Computer Science 2024-04-08 Saul Shanabrook

Inference-Time Scaling (ITS) improves language models by allocating more computation at generation time. Particle Filtering (PF) has emerged as a strong ITS method for complex mathematical reasoning tasks, but it is vulnerable when guided…

In partially known environments, robots must combine exploration to gather information with task planning for efficient execution. To address this challenge, we propose EPoG, an Exploration-based sequential manipulation Planning framework…

Robotics · Computer Science 2026-02-17 Heqing Yang , Ziyuan Jiao , Shu Wang , Yida Niu , Si Liu , Hangxin Liu

Transformers are gaining increasing attention across Natural Language Processing (NLP) application domains due to their outstanding accuracy. However, these data-intensive models add significant performance demands to the existing computing…

Hardware Architecture · Computer Science 2025-08-07 Ahmed J. Abdelmaksoud , Shady Agwa , Themis Prodromakis

Inverse design of high-resolution and fine-detailed 3D lightweight mechanical structures is notoriously expensive due to the need for vast computational resources and the use of very fine-scaled complex meshes. Furthermore, in designing for…

Graph partition is a key component to achieve workload balance and reduce job completion time in parallel graph processing systems. Among the various partition strategies, edge partition has demonstrated more promising performance in…

Data Structures and Algorithms · Computer Science 2020-12-18 Zhenyu Guo , Mingyu Xiao , Yi Zhou , Dongxiang Zhang , Kian-Lee Tan

Identifying complex neural circuitry from electron microscopic (EM) images may help unlock the mysteries of the brain. However, identifying this circuitry requires time-consuming, manual tracing (proofreading) due to the size and intricacy…

Quantitative Methods · Quantitative Biology 2014-09-04 Stephen M. Plaza

Flexible optical network is a promising technology to accommodate high-capacity demands in next-generation networks. To ensure uninterrupted communication, existing lightpath provisioning schemes are mainly done with the assumption of…

Networking and Internet Architecture · Computer Science 2022-07-13 Cao Chen , Fen Zhou , Yuanhao Liu , Shilin Xiao

Current state-of-the-art generative models map noise to data distributions by matching flows or scores. A key limitation of these models is their inability to readily integrate available partial observations and additional priors. In…

GraphRAG integrates (knowledge) graphs with large language models (LLMs) to improve reasoning accuracy and contextual relevance. Despite its promising applications and strong relevance to multiple research communities, such as databases and…

Artificial Intelligence · Computer Science 2025-08-20 Yukun Cao , Zengyi Gao , Zhiyang Li , Xike Xie , S. Kevin Zhou , Jianliang Xu