Jie Fu

Zihan Qiu, Zeyu Huang, Shuang Cheng et al.

The scaling of large language models (LLMs) has revolutionized their capabilities in various tasks, yet this growth must be matched with efficient computational strategies. The Mixture-of-Experts (MoE) architecture stands out for its ability to scale model size without significantly increasing training costs. Despite their advantages, current MoE models often display parameter inefficiency. For instance, a pre-trained MoE-based LLM with 52 billion parameters might perform comparably to a standard model with 6.7 billion parameters. Being a crucial part of MoE, current routers in different layers independently assign tokens without leveraging historical routing information, potentially leading to suboptimal token-expert combinations and the parameter inefficiency problem. To alleviate this issue, we introduce the Layerwise Recurrent Router for Mixture-of-Experts (RMoE). RMoE leverages a Gated Recurrent Unit (GRU) to establish dependencies between routing decisions across consecutive layers. Such layerwise recurrence can be efficiently parallelly computed for input tokens and introduces negotiable costs. Our extensive empirical evaluations demonstrate that RMoE-based language models consistently outperform a spectrum of baseline models. Furthermore, RMoE integrates a novel computation stage orthogonal to existing methods, allowing seamless compatibility with other MoE architectures. Our analyses attribute RMoE's gains to its effective cross-layer information sharing, which also improves expert selection and diversity. Our code is at https://github.com/qiuzh20/RMoE .

Jingbang Chen, Yian Wang, Xingwei Qu et al. · mila

Molecular dynamics simulations have emerged as a fundamental instrument for studying biomolecules. At the same time, it is desirable to perform simulations of a collection of particles under various conditions in which the molecules can fluctuate. In this paper, we explore and adapt the soft prompt-based learning method to molecular dynamics tasks. Our model can remarkably generalize to unseen and out-of-distribution scenarios with limited training data. While our work focuses on temperature as a test case, the versatility of our approach allows for efficient simulation through any continuous dynamic conditions, such as pressure and volumes. Our framework has two stages: 1) Pre-trains with data mixing technique, augments molecular structure data and temperature prompts, then applies a curriculum learning method by increasing the ratio of them smoothly. 2) Meta-learning-based fine-tuning framework improves sample-efficiency of fine-tuning process and gives the soft prompt-tuning better initialization points. Comprehensive experiments reveal that our framework excels in accuracy for in-domain data and demonstrates strong generalization capabilities for unseen and out-of-distribution samples.

Haoze Wu, Zihan Qiu, Zili Wang et al.

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 tokens in the MoE models have uncertain routing results. These tokens have nearly equal scores for choosing each expert, and we demonstrate that this uncertainty can lead to incorrect selections. Inspired by the Global Workspace Theory (GWT), we propose a new fine-tuning method, GW-MoE, to address this issue. The core idea is to broadcast the uncertain tokens across experts during fine-tuning. Therefore, these tokens can acquire the necessary knowledge from any expert during inference and become less sensitive to the choice. GW-MoE does not introduce additional inference overhead. We validate that GW can mitigate the uncertain problem and consistently improve in different tasks (text classification, question answering, summarization, code generation, and mathematical problem solving) and model sizes (650M and 8B parameters).

Shuo Wu, Haoxiang Ma, Jie Fu et al.

The problem of reward design examines the interaction between a leader and a follower, where the leader aims to shape the follower's behavior to maximize the leader's payoff by modifying the follower's reward function. Current approaches to reward design rely on an accurate model of how the follower responds to reward modifications, which can be sensitive to modeling inaccuracies. To address this issue of sensitivity, we present a solution that offers robustness against uncertainties in modeling the follower, including 1) how the follower breaks ties in the presence of nonunique best responses, 2) inexact knowledge of how the follower perceives reward modifications, and 3) bounded rationality of the follower. Our robust solution is guaranteed to exist under mild conditions and can be obtained numerically by solving a mixed-integer linear program. Numerical experiments on multiple test cases demonstrate that our solution improves robustness compared to the standard approach without incurring significant additional computing costs.