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The message-passing mechanism helps Graph Neural Networks (GNNs) achieve remarkable results on various node classification tasks. Nevertheless, the recursive nodes fetching and aggregation in message-passing cause inference latency when…

Machine Learning · Computer Science 2022-10-19 Jie Chen , Shouzhen Chen , Mingyuan Bai , Junbin Gao , Junping Zhang , Jian Pu

Neural machine translation (NMT) offers a novel alternative formulation of translation that is potentially simpler than statistical approaches. However to reach competitive performance, NMT models need to be exceedingly large. In this paper…

Computation and Language · Computer Science 2016-09-23 Yoon Kim , Alexander M. Rush

Incremental learning targets at achieving good performance on new categories without forgetting old ones. Knowledge distillation has been shown critical in preserving the performance on old classes. Conventional methods, however,…

Computer Vision and Pattern Recognition · Computer Science 2020-09-08 Peng Zhou , Long Mai , Jianming Zhang , Ning Xu , Zuxuan Wu , Larry S. Davis

Large Language Models (LLMs) demonstrate exceptional reasoning capabilities, often achieving state-of-the-art performance in various tasks. However, their substantial computational and memory demands, due to billions of parameters, hinder…

Computation and Language · Computer Science 2024-11-25 Xunyu Zhu , Jian Li , Can Ma , Weiping Wang

Ensuring that Large Language Models (LLMs) generate text representative of diverse sub-populations is essential, particularly when key concepts related to under-represented groups are scarce in the training data. We address this challenge…

Computation and Language · Computer Science 2024-12-17 Sabit Hassan , Anthony Sicilia , Malihe Alikhani

Idempotent generative networks (IGNs) are a new line of generative models based on idempotent mapping to a target manifold. IGNs support both single-and multi-step generation, allowing for a flexible trade-off between computational cost and…

Machine Learning · Computer Science 2025-09-29 Shehtab Zaman , Chengyan Liu , Kenneth Chiu

We propose a simple, but efficient and accurate machine learning (ML) model for developing high-dimensional potential energy surface. This so-called embedded atom neural network (EANN) approach is inspired by the well-known empirical…

Chemical Physics · Physics 2019-10-23 Yaolong Zhang , Ce Hu , Bin Jiang

Neural networks adapt very well to distributed and continuous representations, but struggle to generalize from small amounts of data. Symbolic systems commonly achieve data efficient generalization by exploiting modularity to benefit from…

Neural and Evolutionary Computing · Computer Science 2023-03-15 Eli Whitehouse

Large language models (LLMs) have demonstrated remarkable capabilities across various NLP tasks. However, their computational costs are prohibitively high. To address this issue, previous research has attempted to distill the knowledge of…

Computation and Language · Computer Science 2024-03-12 Chengyuan Liu , Yangyang Kang , Fubang Zhao , Kun Kuang , Zhuoren Jiang , Changlong Sun , Fei Wu

The common practice for training commonsense models has gone from-human-to-corpus-to-machine: humans author commonsense knowledge graphs in order to train commonsense models. In this work, we investigate an alternative,…

Computation and Language · Computer Science 2022-11-30 Peter West , Chandra Bhagavatula , Jack Hessel , Jena D. Hwang , Liwei Jiang , Ronan Le Bras , Ximing Lu , Sean Welleck , Yejin Choi

Protein representation learning is critical for numerous biological tasks. Recently, large transformer-based protein language models (pLMs) pretrained on large scale protein sequences have demonstrated significant success in sequence-based…

Machine Learning · Computer Science 2025-08-12 Xuefeng Liu , Songhao Jiang , Chih-chan Tien , Jinbo Xu , Rick Stevens

Significant progress in computer hardware and software have enabled molecular dynamics (MD) simulations to model complex biological phenomena such as protein folding. However, enabling MD simulations to access biologically relevant…

Biomolecules · Quantitative Biology 2019-08-02 Heng Ma , Debsindhu Bhowmik , Hyungro Lee , Matteo Turilli , Michael T. Young , Shantenu Jha , Arvind Ramanathan

Weight Space Learning (WSL), which frames neural network weights as a data modality, is an emerging field with potential for tasks like meta-learning or transfer learning. Particularly, Implicit Neural Representations (INRs) provide a…

Machine Learning · Computer Science 2026-02-02 Tianming Qiu , Christos Sonis , Hao Shen

Invariant models, one important class of geometric deep learning models, are capable of generating meaningful geometric representations by leveraging informative geometric features in point clouds. These models are characterized by their…

Machine Learning · Computer Science 2025-06-17 Zian Li , Xiyuan Wang , Shijia Kang , Muhan Zhang

We have developed a Generative Recurrent Neural Networks (GRNN) that learns the probability of the next residue torsions $X_{i+1}=\ [\phi_{i+1},\psi_{i+1},\omega _{i+1}, \chi_{i+1}]$ from the previous residue in the sequence $X_i$ to…

As deep learning models grow in complexity and the volume of training data increases, reducing storage and computational costs becomes increasingly important. Dataset distillation addresses this challenge by synthesizing a compact set of…

Computer Vision and Pattern Recognition · Computer Science 2025-05-20 Zhe Li , Sarah Cechnicka , Cheng Ouyang , Katharina Breininger , Peter Schüffler , Bernhard Kainz

Improving the performance of semantic segmentation models using multispectral information is crucial, especially for environments with low-light and adverse conditions. Multi-modal fusion techniques pursue either the learning of…

Computer Vision and Pattern Recognition · Computer Science 2023-12-06 Aniruddh Sikdar , Jayant Teotia , Suresh Sundaram

Spiking Neural Networks (SNNs) are biologically realistic and practically promising in low-power computation because of their event-driven mechanism. Usually, the training of SNNs suffers accuracy loss on various tasks, yielding an inferior…

Neural and Evolutionary Computing · Computer Science 2023-04-19 Di Hong , Jiangrong Shen , Yu Qi , Yueming Wang

In image restoration (IR), leveraging semantic priors from segmentation models has been a common approach to improve performance. The recent segment anything model (SAM) has emerged as a powerful tool for extracting advanced semantic priors…

Computer Vision and Pattern Recognition · Computer Science 2024-04-03 Quan Zhang , Xiaoyu Liu , Wei Li , Hanting Chen , Junchao Liu , Jie Hu , Zhiwei Xiong , Chun Yuan , Yunhe Wang

The foundation model (FM) paradigm is transforming Machine Learning Force Fields (MLFFs), leveraging general-purpose representations and scalable training to perform a variety of computational chemistry tasks. Although MLFF FMs have begun…

Chemical Physics · Physics 2025-02-03 Ishan Amin , Sanjeev Raja , Aditi Krishnapriyan