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Mixture-of-Experts (MoE) has been demonstrated as an efficient method to scale up models. By dynamically and sparsely selecting activated experts, MoE can effectively reduce computational costs. Despite the success, we observe that many…

Machine Learning · Computer Science 2024-06-19 Haoze Wu , Zihan Qiu , Zili Wang , Hang Zhao , Jie Fu

Quantization method plays a crucial role in improving model efficiency and reducing deployment costs, enabling the widespread application of deep learning models on resource-constrained devices. However, the quantization process inevitably…

Machine Learning · Computer Science 2025-09-30 Jinhao Zhang , Yunquan Zhang , Boyang Zhang , Zeyu Liu , Daning Cheng

Researchers have proposed several approaches for neural network (NN) based uncertainty quantification (UQ). However, most of the approaches are developed considering strong assumptions. Uncertainty quantification algorithms often perform…

This work is directed to uncertainty quantification of homogenized effective properties for composite materials with complex, three dimensional microstructure. The uncertainties arise in the material parameters of the single constituents as…

Machine Learning · Computer Science 2021-10-27 Alexander Henkes , Ismail Caylak , Rolf Mahnken

As machine learning (ML) models are increasingly deployed in high-stakes domains, trustworthy uncertainty quantification (UQ) is critical for ensuring the safety and reliability of these models. Traditional UQ methods rely on specifying a…

Machine Learning · Statistics 2025-05-14 Abhineet Agarwal , Michael Xiao , Rebecca Barter , Omer Ronen , Boyu Fan , Bin Yu

The value of uncertainty quantification on predictions for trained neural networks (NNs) on quantum chemical reference data is quantitatively explored. For this, the architecture of the PhysNet NN was suitably modified and the resulting…

Chemical Physics · Physics 2022-07-22 Luis Itza Vazquez-Salazar , Eric D. Boittier , M. Meuwly

In chemistry, deep neural network models have been increasingly utilized in a variety of applications such as molecular property predictions, novel molecule designs, and planning chemical reactions. Despite the rapid increase in the use of…

Chemical Physics · Physics 2019-05-17 Seongok Ryu , Yongchan Kwon , Woo Youn Kim

Mixture-of-Experts (MoE) has become a practical architecture for scaling LLM capacity while keeping per-token compute modest, but deploying MoE models on a single, memory-limited GPU remains difficult because expert weights dominate the HBM…

Performance · Computer Science 2026-02-09 Kexin Chu , Dawei Xiang , Zixu Shen , Yiwei Yang , Zecheng Liu , Wei Zhang

Quantization is a technique for creating efficient Deep Neural Networks (DNNs), which involves performing computations and storing tensors at lower bit-widths than f32 floating point precision. Quantization reduces model size and inference…

Machine Learning · Computer Science 2023-10-02 Eliska Kloberdanz , Wei Le

The ability to replicate predictions by machine learning (ML) or artificial intelligence (AI) models and results in scientific workflows that incorporate such ML/AI predictions is driven by numerous factors. An uncertainty-aware metric that…

Machine Learning · Computer Science 2023-08-28 Line Pouchard , Kristofer G. Reyes , Francis J. Alexander , Byung-Jun Yoon

Uncertainty Quantification (UQ) is a promising approach to improve model reliability, yet quantifying the uncertainty of Large Language Models (LLMs) is non-trivial. In this work, we establish a connection between the uncertainty of LLMs…

Computation and Language · Computer Science 2025-10-16 Mingda Li , Xinyu Li , Weinan Zhang , Longxuan Ma

Quantum fidelity estimation is essential for benchmarking quantum states and processes on noisy quantum devices. While stabilizer operations form the foundation of fault-tolerant quantum computing, non-stabilizer resources further enable…

Quantum Physics · Physics 2025-06-17 Zhiping Liu , Kun Wang , Xin Wang

Uncertainty estimation is pivotal in machine learning, especially for classification tasks, as it improves the robustness and reliability of models. We introduce a novel `Epistemic Wrapping' methodology aimed at improving uncertainty…

Recently, we have been witnessing the scale-up of superconducting quantum computers; however, the noise of quantum bits (qubits) is still an obstacle for real-world applications to leveraging the power of quantum computing. Although there…

Quantum Physics · Physics 2023-04-11 Zhirui Hu , Youzuo Lin , Qiang Guan , Weiwen Jiang

Mixture-of-Experts (MoE) models face deployment challenges due to their large parameter counts and computational demands. We explore quantization for MoE models and highlight two key insights: 1) linear blocks exhibit varying quantization…

Machine Learning · Computer Science 2025-05-12 Haojie Duanmu , Xiuhong Li , Zhihang Yuan , Size Zheng , Jiangfei Duan , Xingcheng Zhang , Dahua Lin

Operator learning enables fast surrogate modeling of high-dimensional dynamical systems, but existing approaches face two fundamental limitations: quadratic inference complexity and unreliable uncertainty quantification in safety-critical…

Machine Learning · Computer Science 2026-05-04 Purav Matlia , Christian Moya , Guang Lin

To accelerate the inference of deep neural networks (DNNs), quantization with low-bitwidth numbers is actively researched. A prominent challenge is to quantize the DNN models into low-bitwidth numbers without significant accuracy…

Machine Learning · Computer Science 2024-02-14 Jiajun Zhou , Jiajun Wu , Yizhao Gao , Yuhao Ding , Chaofan Tao , Boyu Li , Fengbin Tu , Kwang-Ting Cheng , Hayden Kwok-Hay So , Ngai Wong

Mixture-of-Experts (MoE) architectures enable efficient scaling of large language models by activating only a subset of parameters per input. However, existing MoE models suffer from two critical limitations: (1) inefficient token-to-expert…

Computation and Language · Computer Science 2025-10-10 Jing Li , Zhijie Sun , Dachao Lin , Xuan He , Binfan Zheng , Yi Lin , Rongqian Zhao , Xin Chen

Deep learning-based surrogate models have demonstrated remarkable advantages over classical solvers in terms of speed, often achieving speedups of 10 to 1000 times over traditional partial differential equation (PDE) solvers. However, a…

Machine Learning · Computer Science 2024-02-14 Tailin Wu , Willie Neiswanger , Hongtao Zheng , Stefano Ermon , Jure Leskovec

Mixture-of-Experts (MoE) models enable scalable computation and performance in large-scale deep learning but face quantization challenges due to sparse expert activation and dynamic routing. Existing post-training quantization (PTQ) methods…

Computation and Language · Computer Science 2026-02-03 Zhongqian Fu , Tianyi Zhao , Ning Ding , Xianzhi Yu , Xiaosong Li , Yehui Tang , Yunhe Wang
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