Related papers: Scaling Machine Learning Interatomic Potentials wi…

Mixture-of-Experts (MoE) activates only a subset of experts during inference, allowing the model to maintain low inference FLOPs and latency even as the parameter count scales up. However, since MoE dynamically selects the experts, all the…

Mixture of Experts (MoE) models enable parameter-efficient scaling through sparse expert activations, yet optimizing their inference and memory costs remains challenging due to limited understanding of their specialization behavior. We…

Machine learning interatomic potentials (MLIPs) provide an effective approach for accurately and efficiently modeling atomic interactions, expanding the capabilities of atomistic simulations to complex systems. However, a priori feature…

Recently, mixture of experts (MoE) has become a popular paradigm for achieving the trade-off between modal capacity and efficiency of multi-modal large language models (MLLMs). Different from previous efforts, we are dedicated to exploring…

Machine learning interatomic potentials (MLIPs) enable atomistic simulations with near ab initio accuracy at significantly reduced computational cost, but their broader adoption is often limited by fragmented tooling, limited scalability,…

Mixture-of-Experts (MoE) architectures have shown strong multilingual capabilities, yet the internal mechanisms underlying performance gains and cross-language differences remain insufficiently understood. In this work, we conduct a…

First-principles atomistic simulations are essential for understanding complex material phenomena but are fundamentally limited by their computational cost. While Machine Learning Interatomic Potentials (MLIPs) have drastically improved…

Sparse Mixture-of-Experts (MoE) models scale capacity by routing each token to a small subset of experts. However, their routers exhibit a fundamental trade-off: strong load balancing can suppress expert specialization, while aggressive…

Scaling the size of a model enhances its capabilities but significantly increases computation complexity. Mixture-of-Experts models (MoE) address the issue by allowing model size to scale up without substantially increasing training or…

Mixture-of-Experts (MoE) models scale large language models efficiently by sparsely activating experts, but once an expert is selected, it is executed fully. Hence, the trade-off between accuracy and computation in an MoE model typically…

Machine-learning interatomic potential (MLIP) has been of growing interest as a useful method to describe the energetics of systems of interest. In the present study, we examine the accuracy of linearized pairwise MLIPs and…

The Mixture of Experts (MoE) paradigm provides a powerful way to decompose dense layers into smaller, modular computations often more amenable to human interpretation, debugging, and editability. However, a major challenge lies in the…

Sparse Mixture-of-Experts (MoE) architectures route each token through a subset of experts at each layer independently. We propose viewing MoE computation through the lens of \emph{expert paths} -- the sequence of expert selections a token…

Machine learning interatomic potentials (MLIPs) with broad chemical flexibility are important for atomistic simulations of compositionally complex materials such as high-entropy alloys. Here, we study two state-of-the-art MLIP frameworks,…

Sparsely Mixture of Experts (MoE) has received great interest due to its promising scaling capability with affordable computational overhead. MoE converts dense layers into sparse experts, and utilizes a gated routing network to make…

Mixture of Experts (MoE) has become a key architectural paradigm for efficiently scaling Large Language Models (LLMs) by selectively activating a subset of parameters for each input token. However, standard MoE architectures face…

Mixture-of-Experts (MoEs) can scale up beyond traditional deep learning models by employing a routing strategy in which each input is processed by a single "expert" deep learning model. This strategy allows us to scale up the number of…

Mixture-of-Experts (MoE) models enable efficient scaling of large language models (LLMs) by activating only a subset of experts per input. However, we observe that the commonly used auxiliary load balancing loss often leads to expert…

Class-incremental learning (CIL) requires deep learning models to continuously acquire new knowledge from streaming data while preserving previously learned information. Recently, CIL based on pre-trained models (PTMs) has achieved…

Mixture-of-Experts (MoE) architectures have become the key to scaling modern LLMs, yet little is understood about how their sparse routing dynamics respond to multilingual data. In this work, we analyze expert routing patterns using…