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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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…
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…