Related papers: Scaling Machine Learning Interatomic Potentials wi…

Developing machine learning interatomic potentials (MLIPs) for complex materials systems remains challenging because it requires expertise in atomistic simulations, machine learning, and workflow design, as well as iterative active learning…

The vastness of chemical space makes generalization a central challenge in the development of machine learning interatomic potentials (MLIPs). While MLIPs could enable large-scale atomistic simulations with near-quantum accuracy, their…

Despite their practical success, it remains unclear why Mixture of Experts (MoE) models can outperform dense networks beyond sheer parameter scaling. We study an iso-parameter regime where inputs exhibit latent modular structure but are…

We introduce a Mixture of Raytraced Experts, a stacked Mixture of Experts (MoE) architecture which can dynamically select sequences of experts, producing computational graphs of variable width and depth. Existing MoE architectures generally…

Mixture-of-Experts (MoE) presents a naturally compatible and scalable framework for multimodal learning, demonstrating strong adaptability across diverse modalities and tasks. Despite its growing success, a comprehensive and systematic…

Mixture-of-Experts (MoE) represents an ensemble methodology that amalgamates predictions from several specialized sub-models (referred to as experts). This fusion is accomplished through a router mechanism, dynamically assigning weights to…

An increasing number of LLMs employ Mixture-of-Experts (MoE) architectures where the feed-forward layer is replaced by a pool of experts and each token only activates a small subset of them. During autoregressive generation, these models…

Machine-learned interatomic potentials can offer near first-principles accuracy but are computationally expensive, limiting their application to large-scale molecular dynamics simulations. Inspired by quantum mechanics/molecular mechanics…

Sparse Mixture-of-Experts (MoE) is a neural architecture design that can be utilized to add learnable parameters to Large Language Models (LLMs) without increasing inference cost. Instruction tuning is a technique for training LLMs to…

Recent advances in reinforcement learning (RL) have substantially improved the training of large-scale language models, leading to significant gains in generation quality and reasoning ability. However, most existing research focuses on…

Scaling large language models has driven remarkable advancements across various domains, yet the continual increase in model size presents significant challenges for real-world deployment. The Mixture of Experts (MoE) architecture offers a…

A useful strategy to deal with complex classification scenarios is the "divide and conquer" approach. The mixture of experts (MOE) technique makes use of this strategy by joinly training a set of classifiers, or experts, that are…

Machine learning interatomic potentials (MLIPs) evaluate potential energy surfaces orders of magnitude faster while maintaining accuracy comparable to first-principles calculations, and universal MLIPs that cover most of the periodic table…

Mixture-of-Experts (MoE), a conditional computation architecture, achieved promising performance by scaling local module (i.e. feed-forward network) of transformer. However, scaling the cross-token module (i.e. self-attention) is…

The Mixtures-of-Experts (MoE) model is a widespread distributed and integrated learning method for large language models (LLM), which is favored due to its ability to sparsify and expand models efficiently. However, the performance of MoE…

The Mixture of Experts (MoE) selects a few feed-forward networks (FFNs) per token, achieving an effective trade-off between computational cost and performance. In conventional MoE, each expert is treated as entirely independent, and experts…

We present Self-MoE, an approach that transforms a monolithic LLM into a compositional, modular system of self-specialized experts, named MiXSE (MiXture of Self-specialized Experts). Our approach leverages self-specialization, which…

Machine learning interatomic potentials (MLIPs) have massively changed the field of atomistic modeling. They enable the accuracy of density functional theory in large-scale simulations while being nearly as fast as classical interatomic…

Mixture of Experts (MoE) are rising in popularity as a means to train extremely large-scale models, yet allowing for a reasonable computational cost at inference time. Recent state-of-the-art approaches usually assume a large number of…

Recent studies have shown that combining parameter-efficient fine-tuning (PEFT) with mixture-of-experts (MoE) is an effective strategy for adapting large language models (LLMs) to the downstream tasks. However, most existing approaches rely…