Sparsely activated Mixture-of-Experts (SMoE) has shown promise to scale up the learning capacity of neural networks, however, they have issues like (a) High Memory Usage, due to duplication of the network layers into multiple copies as experts; and (b) Redundancy in Experts, as common learning-based routing policies suffer from representational collapse. Therefore, vanilla SMoE models are memory inefficient and non-scalable, especially for resource-constrained downstream scenarios. In this paper, we ask: Can we craft a compact SMoE model by consolidating expert information? What is the best recipe to merge multiple experts into fewer but more knowledgeable experts? Our pilot investigation reveals that conventional model merging methods fail to be effective in such expert merging for SMoE. The potential reasons are: (1) redundant information overshadows critical experts; (2) appropriate neuron permutation for each expert is missing to bring all of them in alignment. To address this, we propose M-SMoE, which leverages routing statistics to guide expert merging. Specifically, it starts with neuron permutation alignment for experts; then, dominant experts and their "group members" are formed; lastly, every expert group is merged into a single expert by utilizing each expert's activation frequency as their weight for merging, thus diminishing the impact of insignificant experts. Moreover, we observed that our proposed merging promotes a low dimensionality in the merged expert's weight space, naturally paving the way for additional compression. Hence, our final method, MC-SMoE (i.e., Merge, then Compress SMoE), further decomposes the merged experts into low-rank and structural sparse alternatives. Extensive experiments across 8 benchmarks validate the effectiveness of MC-SMoE. For instance, our MC-SMoE achieves up to 80% memory and a 20% FLOPs reduction, with virtually no loss in performance.
In the evolving landscape of natural language processing (NLP), fine-tuning pre-trained Large Language Models (LLMs) with first-order (FO) optimizers like SGD and Adam has become standard. Yet, as LLMs grow {in size}, the substantial memory overhead from back-propagation (BP) for FO gradient computation presents a significant challenge. Addressing this issue is crucial, especially for applications like on-device training where memory efficiency is paramount. This paper proposes a shift towards BP-free, zeroth-order (ZO) optimization as a solution for reducing memory costs during LLM fine-tuning, building on the initial concept introduced by MeZO. Unlike traditional ZO-SGD methods, our work expands the exploration to a wider array of ZO optimization techniques, through a comprehensive, first-of-its-kind benchmarking study across five LLM families (Roberta, OPT, LLaMA, Vicuna, Mistral), three task complexities, and five fine-tuning schemes. Our study unveils previously overlooked optimization principles, highlighting the importance of task alignment, the role of the forward gradient method, and the balance between algorithm complexity and fine-tuning performance. We further introduce novel enhancements to ZO optimization, including block-wise descent, hybrid training, and gradient sparsity. Our study offers a promising direction for achieving further memory-efficient LLM fine-tuning. Codes to reproduce all our experiments are at https://github.com/ZO-Bench/ZO-LLM .
Mixture-of-experts (MoE) architectures could achieve impressive computational efficiency with expert parallelism, which relies heavily on all-to-all communication across devices. Unfortunately, such communication overhead typically constitutes a significant portion of the total runtime, hampering the scalability of distributed training and inference for modern MoE models (consuming over $40\%$ runtime in large-scale training). In this paper, we first define collaborative communication to illustrate this intrinsic limitation, and then propose system- and algorithm-level innovations to reduce communication costs. Specifically, given a pair of experts co-activated by one token, we call them "collaborated", which comprises $2$ cases as intra- and inter-collaboration, depending on whether they are kept on the same device. Our pilot investigations reveal that augmenting the proportion of intra-collaboration can accelerate expert parallelism at scale. It motivates us to strategically optimize collaborative communication for accelerated MoE training and inference, dubbed Occult. Our designs are capable of either delivering exact results with reduced communication cost or controllably minimizing the cost with collaboration pruning, materialized by modified fine-tuning. Comprehensive experiments on various MoE-LLMs demonstrate that Occult can be faster than popular state-of-the-art inference or training frameworks (more than $1.5\times$ speed up across multiple tasks and models) with comparable or superior quality compared to the standard fine-tuning. Code is available at $\href{https://github.com/UNITES-Lab/Occult}{https://github.com/UNITES-Lab/Occult}$.
Quantum computing is an exciting non-Von Neumann paradigm, offering provable speedups over classical computing for specific problems. However, the practical limits of classical simulatability for quantum circuits remain unclear, especially with current noisy quantum devices. In this work, we explore the potential of leveraging Large Language Models (LLMs) to simulate the output of a quantum Turing machine using Grover's quantum circuits, known to provide quadratic speedups over classical counterparts. To this end, we developed GroverGPT, a specialized model based on LLaMA's 8-billion-parameter architecture, trained on over 15 trillion tokens. Unlike brute-force state-vector simulations, which demand substantial computational resources, GroverGPT employs pattern recognition to approximate quantum search algorithms without explicitly representing quantum states. Analyzing 97K quantum search instances, GroverGPT consistently outperformed OpenAI's GPT-4o (45\% accuracy), achieving nearly 100\% accuracy on 6- and 10-qubit datasets when trained on 4-qubit or larger datasets. It also demonstrated strong generalization, surpassing 95\% accuracy for systems with over 20 qubits when trained on 3- to 6-qubit data. Analysis indicates GroverGPT captures quantum features of Grover's search rather than classical patterns, supported by novel prompting strategies to enhance performance. Although accuracy declines with increasing system size, these findings offer insights into the practical boundaries of classical simulatability. This work suggests task-specific LLMs can surpass general-purpose models like GPT-4o in quantum algorithm learning and serve as powerful tools for advancing quantum research.
Sparsely activated Mixture-of-Experts (SMoE) has shown promise in scaling up the learning capacity of neural networks. However, vanilla SMoEs have issues such as expert redundancy and heavy memory requirements, making them inefficient and non-scalable, especially for resource-constrained scenarios. Expert-level sparsification of SMoEs involves pruning the least important experts to address these limitations. In this work, we aim to address three questions: (1) What is the best recipe to identify the least knowledgeable subset of experts that can be dropped with minimal impact on performance? (2) How should we perform expert dropping (one-shot or iterative), and what correction measures can we undertake to minimize its drastic impact on SMoE subnetwork capabilities? (3) What capabilities of full-SMoEs are severely impacted by the removal of the least dominant experts, and how can we recover them? Firstly, we propose MoE Experts Compression Suite (MC-Suite), which is a collection of some previously explored and multiple novel recipes to provide a comprehensive benchmark for estimating expert importance from diverse perspectives, as well as unveil numerous valuable insights for SMoE experts. Secondly, unlike prior works with a one-shot expert pruning approach, we explore the benefits of iterative pruning with the re-estimation of the MC-Suite criterion. Moreover, we introduce the benefits of task-agnostic fine-tuning as a correction mechanism during iterative expert dropping, which we term MoE Lottery Subnetworks. Lastly, we present an experimentally validated conjecture that, during expert dropping, SMoEs' instruction-following capabilities are predominantly hurt, which can be restored to a robust level subject to external augmentation of instruction-following capabilities using k-shot examples and supervised fine-tuning.
Optimization techniques in deep learning are predominantly led by first-order gradient methodologies, such as SGD. However, neural network training can greatly benefit from the rapid convergence characteristics of second-order optimization. Newton's GD stands out in this category, by rescaling the gradient using the inverse Hessian. Nevertheless, one of its major bottlenecks is matrix inversion, which is notably time-consuming in $O(N^3)$ time with weak scalability. Matrix inversion can be translated into solving a series of linear equations. Given that quantum linear solver algorithms (QLSAs), leveraging the principles of quantum superposition and entanglement, can operate within a $\text{polylog}(N)$ time frame, they present a promising approach with exponential acceleration. Specifically, one of the most recent QLSAs demonstrates a complexity scaling of $O(d\cdotκ\log(N\cdotκ/ε))$, depending on: {size~$N$, condition number~$κ$, error tolerance~$ε$, quantum oracle sparsity~$d$} of the matrix. However, this also implies that their potential exponential advantage may be hindered by certain properties (i.e. $κ$ and $d$). We propose Q-Newton, a hybrid quantum-classical scheduler for accelerating neural network training with Newton's GD. Q-Newton utilizes a streamlined scheduling module that coordinates between quantum and classical linear solvers, by estimating & reducing $κ$ and constructing $d$ for the quantum solver. Our evaluation showcases the potential for Q-Newton to significantly reduce the total training time compared to commonly used optimizers like SGD. We hypothesize a future scenario where the gate time of quantum machines is reduced, possibly realized by attoseconds physics. Our evaluation establishes an ambitious and promising target for the evolution of quantum computing.
Knowledge Distillation (KD) accelerates training of large language models (LLMs) but poses intellectual property protection and LLM diversity risks. Existing KD detection methods based on self-identity or output similarity can be easily evaded through prompt engineering. We present a KD detection framework effective in both white-box and black-box settings by exploiting an overlooked signal: the transfer of MoE "structural habits", especially internal routing patterns. Our approach analyzes how different experts specialize and collaborate across various inputs, creating distinctive fingerprints that persist through the distillation process. To extend beyond the white-box setup and MoE architectures, we further propose Shadow-MoE, a black-box method that constructs proxy MoE representations via auxiliary distillation to compare these patterns between arbitrary model pairs. We establish a comprehensive, reproducible benchmark that offers diverse distilled checkpoints and an extensible framework to facilitate future research. Extensive experiments demonstrate >94% detection accuracy across various scenarios and strong robustness to prompt-based evasion, outperforming existing baselines while highlighting the structural habits transfer in LLMs.
Quantum computing offers theoretical advantages over classical computing for specific tasks, yet the boundary of practical quantum advantage remains an open question. To investigate this boundary, it is crucial to understand whether, and how, classical machines can learn and simulate quantum algorithms. Recent progress in large language models (LLMs) has demonstrated strong reasoning abilities, prompting exploration into their potential for this challenge. In this work, we introduce GroverGPT-2, an LLM-based method for simulating Grover's algorithm using Chain-of-Thought (CoT) reasoning and quantum-native tokenization. Building on its predecessor, GroverGPT-2 performs simulation directly from quantum circuit representations while producing logically structured and interpretable outputs. Our results show that GroverGPT-2 can learn and internalize quantum circuit logic through efficient processing of quantum-native tokens, providing direct evidence that classical models like LLMs can capture the structure of quantum algorithms. Furthermore, GroverGPT-2 outputs interleave circuit data with natural language, embedding explicit reasoning into the simulation. This dual capability positions GroverGPT-2 as a prototype for advancing machine understanding of quantum algorithms and modeling quantum circuit logic. We also identify an empirical scaling law for GroverGPT-2 with increasing qubit numbers, suggesting a path toward scalable classical simulation. These findings open new directions for exploring the limits of classical simulatability, enhancing quantum education and research, and laying groundwork for future foundation models in quantum computing.
Mixture-of-Experts (MoE) is a promising way to scale up the learning capacity of large language models. It increases the number of parameters while keeping FLOPs nearly constant during inference through sparse activation. Yet, it still suffers from significant memory overheads due to the vast parameter size, necessitating model compression techniques. Post-training quantization offers a powerful approach for model compression. Existing methods adopt a fixed quantization precision for the entire MoE model. This rigid setup can lead to suboptimal performance, without considering the inherent sparse structure. For example, MoE's sparse routing mechanism leads to different activation patterns, where shared experts are accessed by all tokens while token-conditioned experts are selectively activated. This activation disparity suggests different quantization requirements, with consistently activated shared experts potentially needing higher precision to maintain model quality. In this paper, we study a fine-grained precision setup for MoE quantization. We explore MoE structure-aware quantization heuristics, ranging from coarse (e.g., MoE layers) to fine granularity (e.g., linear layers). Our investigations reveal critical principles, where different MoE structures require varying numbers of bits for effective quantization. Conclusions are supported by extensive benchmarking across two representative MoE models and six tasks including commonsense reasoning and natural language understanding. We further show that an MoE quantized in a fined-grained mixed precision achieved state-of-the-art 65.35% performance on average compared to the baseline 64.30% (i.e., GPTQ). Moreover, based on the findings, we introduce novel data-driven techniques for optimizing bit allocation in MoE quantization, including the outlier-aware linear layer scorer and MoE block importance predictor.