LGAug 9, 2023
When and How Does Known Class Help Discover Unknown Ones? Provable Understanding Through Spectral AnalysisYiyou Sun, Zhenmei Shi, Yingyu Liang et al. · berkeley
Novel Class Discovery (NCD) aims at inferring novel classes in an unlabeled set by leveraging prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for NCD. This paper bridges the gap by providing an analytical framework to formalize and investigate when and how known classes can help discover novel classes. Tailored to the NCD problem, we introduce a graph-theoretic representation that can be learned by a novel NCD Spectral Contrastive Loss (NSCL). Minimizing this objective is equivalent to factorizing the graph's adjacency matrix, which allows us to derive a provable error bound and provide the sufficient and necessary condition for NCD. Empirically, NSCL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.
CLJul 22, 2024Code
Do Large Language Models Have Compositional Ability? An Investigation into Limitations and ScalabilityZhuoyan Xu, Zhenmei Shi, Yingyu Liang
Large language models (LLMs) have emerged as powerful tools for many AI problems and exhibit remarkable in-context learning (ICL) capabilities. Compositional ability, solving unseen complex tasks that combine two or more simple tasks, is an essential reasoning ability for Artificial General Intelligence. Despite the tremendous success of LLMs, how they approach composite tasks, especially those not encountered during the pretraining phase, remains an open and largely underexplored question. In this study, we delve into the ICL capabilities of LLMs on composite tasks, with only simple tasks as in-context examples. We develop a test suite of composite tasks including linguistic and logical challenges and perform empirical studies across different LLM families. We observe that models exhibit divergent behaviors: (1) For simpler composite tasks that apply distinct mapping mechanisms to different input segments, the models demonstrate decent compositional ability, while scaling up the model enhances this ability; (2) for more complex composite tasks involving reasoning multiple steps, where each step represents one task, models typically underperform, and scaling up generally provides no improvements. We offer theoretical analysis in a simplified setting, explaining that models exhibit compositional capability when the task handles different input parts separately. We believe our work sheds new light on the capabilities of LLMs in solving composite tasks regarding the nature of the tasks and model scale. Our dataset and code are available at {\url{https://github.com/OliverXUZY/LLM_Compose}}.
CLSep 25, 2024Code
Discovering the Gems in Early Layers: Accelerating Long-Context LLMs with 1000x Input Token ReductionZhenmei Shi, Yifei Ming, Xuan-Phi Nguyen et al.
Large Language Models (LLMs) have demonstrated remarkable capabilities in handling long context inputs, but this comes at the cost of increased computational resources and latency. Our research introduces a novel approach for the long context bottleneck to accelerate LLM inference and reduce GPU memory consumption. Our research demonstrates that LLMs can identify relevant tokens in the early layers before generating answers to a query. Leveraging this insight, we propose an algorithm that uses early layers of an LLM as filters to select and compress input tokens, significantly reducing the context length for subsequent processing. Our method, GemFilter, demonstrates substantial improvements in both speed and memory efficiency compared to existing techniques, such as standard attention and SnapKV/H2O. Notably, it achieves a 2.4$\times$ speedup and 30\% reduction in GPU memory usage compared to SOTA methods. Evaluation on the Needle in a Haystack task shows that GemFilter significantly outperforms standard attention, SnapKV and demonstrates comparable performance on the LongBench challenge. GemFilter is simple, training-free, and broadly applicable across different LLMs. Crucially, it provides interpretability by allowing humans to inspect the selected input sequence. These findings not only offer practical benefits for LLM deployment, but also enhance our understanding of LLM internal mechanisms, paving the way for further optimizations in LLM design and inference. Our code is available at \url{https://github.com/SalesforceAIResearch/GemFilter}.
LGNov 6, 2023
A Graph-Theoretic Framework for Understanding Open-World Semi-Supervised LearningYiyou Sun, Zhenmei Shi, Yixuan Li · berkeley
Open-world semi-supervised learning aims at inferring both known and novel classes in unlabeled data, by harnessing prior knowledge from a labeled set with known classes. Despite its importance, there is a lack of theoretical foundations for this problem. This paper bridges the gap by formalizing a graph-theoretic framework tailored for the open-world setting, where the clustering can be theoretically characterized by graph factorization. Our graph-theoretic framework illuminates practical algorithms and provides guarantees. In particular, based on our graph formulation, we apply the algorithm called Spectral Open-world Representation Learning (SORL), and show that minimizing our loss is equivalent to performing spectral decomposition on the graph. Such equivalence allows us to derive a provable error bound on the clustering performance for both known and novel classes, and analyze rigorously when labeled data helps. Empirically, SORL can match or outperform several strong baselines on common benchmark datasets, which is appealing for practical usage while enjoying theoretical guarantees.
LGFeb 28, 2023
The Trade-off between Universality and Label Efficiency of Representations from Contrastive LearningZhenmei Shi, Jiefeng Chen, Kunyang Li et al.
Pre-training representations (a.k.a. foundation models) has recently become a prevalent learning paradigm, where one first pre-trains a representation using large-scale unlabeled data, and then learns simple predictors on top of the representation using small labeled data from the downstream tasks. There are two key desiderata for the representation: label efficiency (the ability to learn an accurate classifier on top of the representation with a small amount of labeled data) and universality (usefulness across a wide range of downstream tasks). In this paper, we focus on one of the most popular instantiations of this paradigm: contrastive learning with linear probing, i.e., learning a linear predictor on the representation pre-trained by contrastive learning. We show that there exists a trade-off between the two desiderata so that one may not be able to achieve both simultaneously. Specifically, we provide analysis using a theoretical data model and show that, while more diverse pre-training data result in more diverse features for different tasks (improving universality), it puts less emphasis on task-specific features, giving rise to larger sample complexity for down-stream supervised tasks, and thus worse prediction performance. Guided by this analysis, we propose a contrastive regularization method to improve the trade-off. We validate our analysis and method empirically with systematic experiments using real-world datasets and foundation models.
LGJun 3, 2022
A Theoretical Analysis on Feature Learning in Neural Networks: Emergence from Inputs and Advantage over Fixed FeaturesZhenmei Shi, Junyi Wei, Yingyu Liang
An important characteristic of neural networks is their ability to learn representations of the input data with effective features for prediction, which is believed to be a key factor to their superior empirical performance. To better understand the source and benefit of feature learning in neural networks, we consider learning problems motivated by practical data, where the labels are determined by a set of class relevant patterns and the inputs are generated from these along with some background patterns. We prove that neural networks trained by gradient descent can succeed on these problems. The success relies on the emergence and improvement of effective features, which are learned among exponentially many candidates efficiently by exploiting the data (in particular, the structure of the input distribution). In contrast, no linear models on data-independent features of polynomial sizes can learn to as good errors. Furthermore, if the specific input structure is removed, then no polynomial algorithm in the Statistical Query model can learn even weakly. These results provide theoretical evidence showing that feature learning in neural networks depends strongly on the input structure and leads to the superior performance. Our preliminary experimental results on synthetic and real data also provide positive support.
LGMar 13, 2023
Domain Generalization via Nuclear Norm RegularizationZhenmei Shi, Yifei Ming, Ying Fan et al.
The ability to generalize to unseen domains is crucial for machine learning systems deployed in the real world, especially when we only have data from limited training domains. In this paper, we propose a simple and effective regularization method based on the nuclear norm of the learned features for domain generalization. Intuitively, the proposed regularizer mitigates the impacts of environmental features and encourages learning domain-invariant features. Theoretically, we provide insights into why nuclear norm regularization is more effective compared to ERM and alternative regularization methods. Empirically, we conduct extensive experiments on both synthetic and real datasets. We show nuclear norm regularization achieves strong performance compared to baselines in a wide range of domain generalization tasks. Moreover, our regularizer is broadly applicable with various methods such as ERM and SWAD with consistently improved performance, e.g., 1.7% and 0.9% test accuracy improvements respectively on the DomainBed benchmark.
LGAug 23, 2024
Multi-Layer Transformers Gradient Can be Approximated in Almost Linear TimeYingyu Liang, Zhizhou Sha, Zhenmei Shi et al.
The computational complexity of the self-attention mechanism in popular transformer architectures poses significant challenges for training and inference, and becomes the bottleneck for long inputs. Is it possible to significantly reduce the quadratic time complexity of computing the gradients in multi-layer transformer models? This paper proves that a novel fast approximation method can calculate the gradients in almost linear time $n^{1+o(1)}$ where $n$ is the input sequence length, while it maintains a polynomially small approximation error $1 / \mathrm{poly}(n)$ across the entire model. Our theory holds for general loss functions and when the multi-layer transformer model contains many practical sub-modules, such as residual connection, casual mask, and multi-head attention. By improving the efficiency of gradient computation, we hope that this work will facilitate more effective training and deployment of long-context language models based on our theoretical results.
DSAug 22, 2024
A Tighter Complexity Analysis of SparseGPTXiaoyu Li, Yingyu Liang, Zhenmei Shi et al.
In this work, we improved the analysis of the running time of SparseGPT [Frantar, Alistarh ICML 2023] from $O(d^{3})$ to $O(d^ω + d^{2+a+o(1)} + d^{1+ω(1,1,a)-a})$ for any $a \in [0, 1]$, where $ω$ is the exponent of matrix multiplication. In particular, for the current $ω\approx 2.371$ [Alman, Duan, Williams, Xu, Xu, Zhou 2024], our running time boils down to $O(d^{2.53})$. This running time is due to the analysis of the lazy update behavior in iterative maintenance problems such as [Deng, Song, Weinstein 2022; Brand, Song, Zhou ICML 2024].
LGJul 20, 2024
Provable Differentially Private Computation of the Cross-Attention MechanismYekun Ke, Yingyu Liang, Zhenmei Shi et al.
Cross-attention has emerged as a cornerstone module in modern artificial intelligence, underpinning critical applications such as retrieval-augmented generation (RAG), system prompting, and guided stable diffusion. However, this is a rising concern about securing the privacy of cross-attention, as the underlying key and value matrices frequently encode sensitive data or private user information. In this work, we introduce a novel data structure designed to enforce differential privacy (DP) for cross-attention mechanisms, accompanied by provable theoretical guarantees. Specifically, letting $n$ denote the input sequence length, $d$ the feature dimension, $R$ the maximum magnitude of query and key matrices, $R_w$ the maximum magnitude of the value matrix, and $r, s, ε_s$ the parameters for polynomial kernel methods, our proposed structure achieves $\widetilde{O}(ndr^2)$ space and initialization complexity, with a query time of $\widetilde{O}(d r^2)$ per token. Moreover, we demonstrate that our mechanism satisfies $(ε, δ)$-DP, incurring an additive error of $\widetilde{O}((1-ε_s)^{-1} n^{-1} ε^{-1} R^{2s} R_w r^2)$ and a relative error of $2ε_s/(1-ε_s)$ with respect to the ground truth. Crucially, our framework maintains robustness against adaptive queries, ensuring security even in adversarial settings. To the best of our knowledge, this constitutes the first approach providing provable differential privacy for cross-attention, establishing a foundation for future privacy-preserving algorithms in large generative models (LGMs).
LGJul 18, 2024
Differential Privacy Mechanisms in Neural Tangent Kernel RegressionJiuxiang Gu, Yingyu Liang, Zhizhou Sha et al.
Training data privacy is a fundamental problem in modern Artificial Intelligence (AI) applications, such as face recognition, recommendation systems, language generation, and many others, as it may contain sensitive user information related to legal issues. To fundamentally understand how privacy mechanisms work in AI applications, we study differential privacy (DP) in the Neural Tangent Kernel (NTK) regression setting, where DP is one of the most powerful tools for measuring privacy under statistical learning, and NTK is one of the most popular analysis frameworks for studying the learning mechanisms of deep neural networks. In our work, we can show provable guarantees for both differential privacy and test accuracy of our NTK regression. Furthermore, we conduct experiments on the basic image classification dataset CIFAR10 to demonstrate that NTK regression can preserve good accuracy under a modest privacy budget, supporting the validity of our analysis. To our knowledge, this is the first work to provide a DP guarantee for NTK regression.
DSAug 12, 2024
Fast John Ellipsoid Computation with Differential Privacy OptimizationXiaoyu Li, Yingyu Liang, Zhenmei Shi et al.
Determining the John ellipsoid - the largest volume ellipsoid contained within a convex polytope - is a fundamental problem with applications in machine learning, optimization, and data analytics. Recent work has developed fast algorithms for approximating the John ellipsoid using sketching and leverage score sampling techniques. However, these algorithms do not provide privacy guarantees for sensitive input data. In this paper, we present the first differentially private algorithm for fast John ellipsoid computation. Our method integrates noise perturbation with sketching and leverages score sampling to achieve both efficiency and privacy. We prove that (1) our algorithm provides $(ε,δ)$-differential privacy and the privacy guarantee holds for neighboring datasets that are $ε_0$-close, allowing flexibility in the privacy definition; (2) our algorithm still converges to a $(1+ξ)$-approximation of the optimal John ellipsoid in $Θ(ξ^{-2}(\log(n/δ_0) + (Lε_0)^{-2}))$ iterations where $n$ is the number of data point, $L$ is the Lipschitz constant, $δ_0$ is the failure probability, and $ε_0$ is the closeness of neighboring input datasets. Our theoretical analysis demonstrates the algorithm's convergence and privacy properties, providing a robust approach for balancing utility and privacy in John ellipsoid computation. This is the first differentially private algorithm for fast John ellipsoid computation, opening avenues for future research in privacy-preserving optimization techniques.
LGOct 19, 2023
Provable Guarantees for Neural Networks via Gradient Feature LearningZhenmei Shi, Junyi Wei, Yingyu Liang
Neural networks have achieved remarkable empirical performance, while the current theoretical analysis is not adequate for understanding their success, e.g., the Neural Tangent Kernel approach fails to capture their key feature learning ability, while recent analyses on feature learning are typically problem-specific. This work proposes a unified analysis framework for two-layer networks trained by gradient descent. The framework is centered around the principle of feature learning from gradients, and its effectiveness is demonstrated by applications in several prototypical problems, such as mixtures of Gaussians and parity functions. The framework also sheds light on interesting network learning phenomena such as feature learning beyond kernels and the lottery ticket hypothesis.
LGFeb 22, 2024Code
Towards Few-Shot Adaptation of Foundation Models via Multitask FinetuningZhuoyan Xu, Zhenmei Shi, Junyi Wei et al.
Foundation models have emerged as a powerful tool for many AI problems. Despite the tremendous success of foundation models, effective adaptation to new tasks, particularly those with limited labels, remains an open question and lacks theoretical understanding. An emerging solution with recent success in vision and NLP involves finetuning a foundation model on a selection of relevant tasks, before its adaptation to a target task with limited labeled samples. In this paper, we study the theoretical justification of this multitask finetuning approach. Our theoretical analysis reveals that with a diverse set of related tasks, this multitask finetuning leads to reduced error in the target task, in comparison to directly adapting the same pretrained model. We quantify the relationship between finetuning tasks and target tasks by diversity and consistency metrics, and further propose a practical task selection algorithm. We substantiate our theoretical claims with extensive empirical evidence. Further, we present results affirming our task selection algorithm adeptly chooses related finetuning tasks, providing advantages to the model performance on target tasks. We believe our study shed new light on the effective adaptation of foundation models to new tasks that lack abundant labels. Our code is available at https://github.com/OliverXUZY/Foudation-Model_Multitask.
LGMay 1, 2025Code
T2VPhysBench: A First-Principles Benchmark for Physical Consistency in Text-to-Video GenerationXuyang Guo, Jiayan Huo, Zhenmei Shi et al.
Text-to-video generative models have made significant strides in recent years, producing high-quality videos that excel in both aesthetic appeal and accurate instruction following, and have become central to digital art creation and user engagement online. Yet, despite these advancements, their ability to respect fundamental physical laws remains largely untested: many outputs still violate basic constraints such as rigid-body collisions, energy conservation, and gravitational dynamics, resulting in unrealistic or even misleading content. Existing physical-evaluation benchmarks typically rely on automatic, pixel-level metrics applied to simplistic, life-scenario prompts, and thus overlook both human judgment and first-principles physics. To fill this gap, we introduce \textbf{T2VPhysBench}, a first-principled benchmark that systematically evaluates whether state-of-the-art text-to-video systems, both open-source and commercial, obey twelve core physical laws including Newtonian mechanics, conservation principles, and phenomenological effects. Our benchmark employs a rigorous human evaluation protocol and includes three targeted studies: (1) an overall compliance assessment showing that all models score below 0.60 on average in each law category; (2) a prompt-hint ablation revealing that even detailed, law-specific hints fail to remedy physics violations; and (3) a counterfactual robustness test demonstrating that models often generate videos that explicitly break physical rules when so instructed. The results expose persistent limitations in current architectures and offer concrete insights for guiding future research toward truly physics-aware video generation.
CVMar 10, 2025Code
Text-to-Image Diffusion Models Cannot Count, and Prompt Refinement Cannot HelpYuefan Cao, Xuyang Guo, Jiayan Huo et al.
Generative modeling is widely regarded as one of the most essential problems in today's AI community, with text-to-image generation having gained unprecedented real-world impacts. Among various approaches, diffusion models have achieved remarkable success and have become the de facto solution for text-to-image generation. However, despite their impressive performance, these models exhibit fundamental limitations in adhering to numerical constraints in user instructions, frequently generating images with an incorrect number of objects. While several prior works have mentioned this issue, a comprehensive and rigorous evaluation of this limitation remains lacking. To address this gap, we introduce T2ICountBench, a novel benchmark designed to rigorously evaluate the counting ability of state-of-the-art text-to-image diffusion models. Our benchmark encompasses a diverse set of generative models, including both open-source and private systems. It explicitly isolates counting performance from other capabilities, provides structured difficulty levels, and incorporates human evaluations to ensure high reliability. Extensive evaluations with T2ICountBench reveal that all state-of-the-art diffusion models fail to generate the correct number of objects, with accuracy dropping significantly as the number of objects increases. Additionally, an exploratory study on prompt refinement demonstrates that such simple interventions generally do not improve counting accuracy. Our findings highlight the inherent challenges in numerical understanding within diffusion models and point to promising directions for future improvements.
CVApr 5, 2025Code
Can You Count to Nine? A Human Evaluation Benchmark for Counting Limits in Modern Text-to-Video ModelsXuyang Guo, Zekai Huang, Jiayan Huo et al.
Generative models have driven significant progress in a variety of AI tasks, including text-to-video generation, where models like Video LDM and Stable Video Diffusion can produce realistic, movie-level videos from textual instructions. Despite these advances, current text-to-video models still face fundamental challenges in reliably following human commands, particularly in adhering to simple numerical constraints. In this work, we present T2VCountBench, a specialized benchmark aiming at evaluating the counting capability of SOTA text-to-video models as of 2025. Our benchmark employs rigorous human evaluations to measure the number of generated objects and covers a diverse range of generators, covering both open-source and commercial models. Extensive experiments reveal that all existing models struggle with basic numerical tasks, almost always failing to generate videos with an object count of 9 or fewer. Furthermore, our comprehensive ablation studies explore how factors like video style, temporal dynamics, and multilingual inputs may influence counting performance. We also explore prompt refinement techniques and demonstrate that decomposing the task into smaller subtasks does not easily alleviate these limitations. Our findings highlight important challenges in current text-to-video generation and provide insights for future research aimed at improving adherence to basic numerical constraints.
CVMay 8, 2025Code
T2VTextBench: A Human Evaluation Benchmark for Textual Control in Video Generation ModelsXuyang Guo, Jiayan Huo, Zhenmei Shi et al.
Thanks to recent advancements in scalable deep architectures and large-scale pretraining, text-to-video generation has achieved unprecedented capabilities in producing high-fidelity, instruction-following content across a wide range of styles, enabling applications in advertising, entertainment, and education. However, these models' ability to render precise on-screen text, such as captions or mathematical formulas, remains largely untested, posing significant challenges for applications requiring exact textual accuracy. In this work, we introduce T2VTextBench, the first human-evaluation benchmark dedicated to evaluating on-screen text fidelity and temporal consistency in text-to-video models. Our suite of prompts integrates complex text strings with dynamic scene changes, testing each model's ability to maintain detailed instructions across frames. We evaluate ten state-of-the-art systems, ranging from open-source solutions to commercial offerings, and find that most struggle to generate legible, consistent text. These results highlight a critical gap in current video generators and provide a clear direction for future research aimed at enhancing textual manipulation in video synthesis.
CVJul 24, 2025Code
T2VWorldBench: A Benchmark for Evaluating World Knowledge in Text-to-Video GenerationYubin Chen, Xuyang Guo, Zhenmei Shi et al.
Text-to-video (T2V) models have shown remarkable performance in generating visually reasonable scenes, while their capability to leverage world knowledge for ensuring semantic consistency and factual accuracy remains largely understudied. In response to this challenge, we propose T2VWorldBench, the first systematic evaluation framework for evaluating the world knowledge generation abilities of text-to-video models, covering 6 major categories, 60 subcategories, and 1,200 prompts across a wide range of domains, including physics, nature, activity, culture, causality, and object. To address both human preference and scalable evaluation, our benchmark incorporates both human evaluation and automated evaluation using vision-language models (VLMs). We evaluated the 10 most advanced text-to-video models currently available, ranging from open source to commercial models, and found that most models are unable to understand world knowledge and generate truly correct videos. These findings point out a critical gap in the capability of current text-to-video models to leverage world knowledge, providing valuable research opportunities and entry points for constructing models with robust capabilities for commonsense reasoning and factual generation.
LGOct 27, 2025Code
Can Language Models Compose Skills In-Context?Zidong Liu, Zhuoyan Xu, Zhenmei Shi et al.
Composing basic skills from simple tasks to accomplish composite tasks is crucial for modern intelligent systems. We investigate the in-context composition ability of language models to perform composite tasks that combine basic skills demonstrated in in-context examples. This is more challenging than the standard setting, where skills and their composition can be learned in training. We conduct systematic experiments on various representative open-source language models, utilizing linguistic and logical tasks designed to probe composition abilities. The results reveal that simple task examples can have a surprising negative impact on the performance, because the models generally struggle to recognize and assemble the skills correctly, even with Chain-of-Thought examples. Theoretical analysis further shows that it is crucial to align examples with the corresponding steps in the composition. This inspires a method for the probing tasks, whose improved performance provides positive support for our insights.
LGJun 20, 2024Code
Towards Infinite-Long Prefix in TransformerYingyu Liang, Zhenmei Shi, Zhao Song et al.
Prompting and context-based fine-tuning methods, which we call Prefix Learning, have been proposed to enhance the performance of language models on various downstream tasks. They are empirically efficient and effective, matching the performance of full parameter fine-tuning, but the theoretical understandings are limited. In this paper, we aim to address this limitation by studying their ability from the perspective of prefix length. In particular, we provide a convergence guarantee for training an ultra-long prefix in a stylized setting using the Neural Tangent Kernel (NTK) framework. Based on this strong theoretical guarantee, we design and implement an algorithm that only needs to introduce and fine-tune a few extra trainable parameters instead of an infinite-long prefix in each layer of a transformer, and can approximate the prefix attention to a guaranteed polynomial-small error. Preliminary experimental results on vision, natural language, and math data show that our method achieves superior or competitive performance compared to existing methods like full parameters fine-tuning, P-Tuning V2, and LoRA. This demonstrates our method is promising for parameter-efficient fine-tuning. Our code can be found at \url{https://github.com/ChristianYang37/chiwun/tree/main/src/NTK-Attention}.
LGOct 6, 2021Code
Attentive Walk-Aggregating Graph Neural NetworksMehmet F. Demirel, Shengchao Liu, Siddhant Garg et al.
Graph neural networks (GNNs) have been shown to possess strong representation power, which can be exploited for downstream prediction tasks on graph-structured data, such as molecules and social networks. They typically learn representations by aggregating information from the $K$-hop neighborhood of individual vertices or from the enumerated walks in the graph. Prior studies have demonstrated the effectiveness of incorporating weighting schemes into GNNs; however, this has been primarily limited to $K$-hop neighborhood GNNs so far. In this paper, we aim to design an algorithm incorporating weighting schemes into walk-aggregating GNNs and analyze their effect. We propose a novel GNN model, called AWARE, that aggregates information about the walks in the graph using attention schemes. This leads to an end-to-end supervised learning method for graph-level prediction tasks in the standard setting where the input is the adjacency and vertex information of a graph, and the output is a predicted label for the graph. We then perform theoretical, empirical, and interpretability analyses of AWARE. Our theoretical analysis in a simplified setting identifies successful conditions for provable guarantees, demonstrating how the graph information is encoded in the representation, and how the weighting schemes in AWARE affect the representation and learning performance. Our experiments demonstrate the strong performance of AWARE in graph-level prediction tasks in the standard setting in the domains of molecular property prediction and social networks. Lastly, our interpretation study illustrates that AWARE can successfully capture the important substructures of the input graph. The code is available on $\href{https://github.com/mehmetfdemirel/aware}{GitHub}$.
LGMay 8, 2024
Conv-Basis: A New Paradigm for Efficient Attention Inference and Gradient Computation in TransformersYingyu Liang, Heshan Liu, Zhenmei Shi et al.
The self-attention mechanism is the key to the success of transformers in recent Large Language Models (LLMs). However, the quadratic computational cost $O(n^2)$ in the input sequence length $n$ is a notorious obstacle for further improvement and scalability in longer contexts. In this work, we leverage the convolution-like structure of attention matrices to develop an efficient approximation method for attention computation using convolution matrices. We propose a $\mathsf{conv}$ basis system, analogous to the rank basis, and show that any lower triangular matrix can always be decomposed as a sum of structured convolution matrices in this basis. We then design a fast algorithm to approximate the attention matrix via a sum of such $k$ convolution matrices. This allows us to compute the attention {\it inference} via Fast Fourier Transforms (FFT) in $O(knd \log n)$ time, where $d$ is the hidden dimension, and thus achieve almost linear time $n^{1+o(1)}$ in the practical scenario where $kd = n^{o(1)}$. Furthermore, the attention {\it training forward} and {\it backward gradient} can be computed in $n^{1+o(1)}$ as well. We provide theoretical guarantees on the run time and approximation error and conduct preliminary experiments to evaluate its effectiveness. We hope our new paradigm for accelerating attention computation in transformer models can help their application to longer contexts.
LGOct 15, 2024
Beyond Linear Approximations: A Novel Pruning Approach for Attention MatrixYingyu Liang, Jiangxuan Long, Zhenmei Shi et al.
Large Language Models (LLMs) have shown immense potential in enhancing various aspects of our daily lives, from conversational AI to search and AI assistants. However, their growing capabilities come at the cost of extremely large model sizes, making deployment on edge devices challenging due to memory and computational constraints. This paper introduces a novel approach to LLM weight pruning that directly optimizes for approximating the attention matrix, a core component of transformer architectures. Unlike existing methods that focus on linear approximations, our approach accounts for the non-linear nature of the Softmax attention mechanism. We provide theoretical guarantees for the convergence of our Gradient Descent-based optimization method to a near-optimal pruning mask solution. Our empirical results demonstrate the effectiveness of our non-linear pruning approach in maintaining model performance while significantly reducing computational costs, which is beyond the current state-of-the-art methods, i.e., SparseGPT and Wanda, by a large margin. This work establishes a new theoretical foundation for pruning algorithm design in LLMs, potentially paving the way for more efficient LLM inference on resource-constrained devices.
LGNov 12, 2024
Circuit Complexity Bounds for RoPE-based Transformer ArchitectureBo Chen, Xiaoyu Li, Yingyu Liang et al.
Characterizing the express power of the Transformer architecture is critical to understanding its capacity limits and scaling law. Recent works provide the circuit complexity bounds to Transformer-like architecture. On the other hand, Rotary Position Embedding ($\mathsf{RoPE}$) has emerged as a crucial technique in modern large language models, offering superior performance in capturing positional information compared to traditional position embeddings, which shows great potential in application prospects, particularly for the long context scenario. Empirical evidence also suggests that $\mathsf{RoPE}$-based Transformer architectures demonstrate greater generalization capabilities compared to conventional Transformer models. In this work, we establish a circuit complexity bound for Transformers with $\mathsf{RoPE}$ attention. Our key contribution is that we show that unless $\mathsf{TC}^0 = \mathsf{NC}^1$, a $\mathsf{RoPE}$-based Transformer with $\mathrm{poly}(n)$-precision, $O(1)$ layers, hidden dimension $d \leq O(n)$ cannot solve the Arithmetic formula evaluation problem or the Boolean formula value problem. This result significantly demonstrates the fundamental limitation of the expressivity of the $\mathsf{RoPE}$-based Transformer architecture, although it achieves giant empirical success. Our theoretical result not only establishes the complexity bound but also may instruct further work on the $\mathsf{RoPE}$-based Transformer.
CCDec 9, 2024
The Computational Limits of State-Space Models and Mamba via the Lens of Circuit ComplexityYifang Chen, Xiaoyu Li, Yingyu Liang et al.
In this paper, we analyze the computational limitations of Mamba and State-space Models (SSMs) by using the circuit complexity framework. Despite Mamba's stateful design and recent attention as a strong candidate to outperform Transformers, we have demonstrated that both Mamba and SSMs with $\mathrm{poly}(n)$-precision and constant-depth layers reside within the $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ complexity class. This result indicates Mamba has the same computational capabilities as Transformer theoretically, and it cannot solve problems like arithmetic formula problems, boolean formula value problems, and permutation composition problems if $\mathsf{TC}^0 \neq \mathsf{NC}^1$. Therefore, it challenges the assumption Mamba is more computationally expressive than Transformers. Our contributions include rigorous proofs showing that Selective SSM and Mamba architectures can be simulated by $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ circuits, and they cannot solve problems outside $\mathsf{TC}^0$.
LGOct 15, 2024
Bypassing the Exponential Dependency: Looped Transformers Efficiently Learn In-context by Multi-step Gradient DescentBo Chen, Xiaoyu Li, Yingyu Liang et al.
In-context learning has been recognized as a key factor in the success of Large Language Models (LLMs). It refers to the model's ability to learn patterns on the fly from provided in-context examples in the prompt during inference. Previous studies have demonstrated that the Transformer architecture used in LLMs can implement a single-step gradient descent update by processing in-context examples in a single forward pass. Recent work has further shown that, during in-context learning, a looped Transformer can implement multi-step gradient descent updates in forward passes. However, their theoretical results require an exponential number of in-context examples, $n = \exp(Ω(T))$, where $T$ is the number of loops or passes, to achieve a reasonably low error. In this paper, we study linear looped Transformers in-context learning on linear vector generation tasks. We show that linear looped Transformers can implement multi-step gradient descent efficiently for in-context learning. Our results demonstrate that as long as the input data has a constant condition number, e.g., $n = O(d)$, the linear looped Transformers can achieve a small error by multi-step gradient descent during in-context learning. Furthermore, our preliminary experiments validate our theoretical analysis. Our findings reveal that the Transformer architecture possesses a stronger in-context learning capability than previously understood, offering new insights into the mechanisms behind LLMs and potentially guiding the better design of efficient inference algorithms for LLMs.
LGOct 14, 2024
HSR-Enhanced Sparse Attention AccelerationBo Chen, Yingyu Liang, Zhizhou Sha et al.
Large Language Models (LLMs) have demonstrated remarkable capabilities across various applications, but their performance on long-context tasks is often limited by the computational complexity of attention mechanisms. We introduce a novel approach to accelerate attention computation in LLMs, particularly for long-context scenarios. We leverage the inherent sparsity within attention mechanisms, both in conventional Softmax attention and ReLU attention (with $\mathsf{ReLU}^α$ activation, $α\in \mathbb{N}_+$), to significantly reduce the running time complexity. Our method employs a Half-Space Reporting (HSR) data structure to identify non-zero or ``massively activated'' entries in the attention matrix. We present theoretical analyses for two key scenarios: generation decoding and prompt prefilling. Our approach achieves a running time of $O(mn^{4/5})$ significantly faster than the naive approach $O(mn)$ for generation decoding, where $n$ is the context length, $m$ is the query length, and $d$ is the hidden dimension. We can also reduce the running time for prompt prefilling from $O(mn)$ to $O(mn^{1 - 1 / \lfloor d/2\rfloor} + mn^{4/5})$. Our method introduces only provably negligible error for Softmax attention. This work represents a significant step towards enabling efficient long-context processing in LLMs.
LGJan 11, 2025
On the Computational Capability of Graph Neural Networks: A Circuit Complexity Bound PerspectiveXiaoyu Li, Yingyu Liang, Zhenmei Shi et al.
Graph Neural Networks (GNNs) have become the standard approach for learning and reasoning over relational data, leveraging the message-passing mechanism that iteratively propagates node embeddings through graph structures. While GNNs have achieved significant empirical success, their theoretical limitations remain an active area of research. Existing studies primarily focus on characterizing GNN expressiveness through Weisfeiler-Lehman (WL) graph isomorphism tests. In this paper, we take a fundamentally different approach by exploring the computational limitations of GNNs through the lens of circuit complexity. Specifically, we analyze the circuit complexity of common GNN architectures and prove that under constraints of constant-depth layers, linear or sublinear embedding sizes, and polynomial precision, GNNs cannot solve key problems such as graph connectivity and graph isomorphism unless $\mathsf{TC}^0 = \mathsf{NC}^1$. These results reveal the intrinsic expressivity limitations of GNNs behind their empirical success and introduce a novel framework for analyzing GNN expressiveness that can be extended to a broader range of GNN models and graph decision problems.
LGOct 12, 2024
Looped ReLU MLPs May Be All You Need as Practical Programmable ComputersYingyu Liang, Zhizhou Sha, Zhenmei Shi et al.
Previous work has demonstrated that attention mechanisms are Turing complete. More recently, it has been shown that a looped 9-layer Transformer can function as a universal programmable computer. In contrast, the multi-layer perceptrons with $\mathsf{ReLU}$ activation ($\mathsf{ReLU}$-$\mathsf{MLP}$), one of the most fundamental components of neural networks, is known to be expressive; specifically, a two-layer neural network is a universal approximator given an exponentially large number of hidden neurons. However, it remains unclear whether a $\mathsf{ReLU}$-$\mathsf{MLP}$ can be made into a universal programmable computer using a practical number of weights. In this work, we provide an affirmative answer that a looped 23-layer $\mathsf{ReLU}$-$\mathsf{MLP}$ is capable of performing the basic necessary operations, more efficiently and effectively functioning as a programmable computer than a looped Transformer. This indicates simple modules have stronger expressive power than previously expected and have not been fully explored. Our work provides insights into the mechanisms of neural networks and demonstrates that complex tasks, such as functioning as a programmable computer, do not necessarily require advanced architectures like Transformers.
LGDec 23, 2024
Fast Gradient Computation for RoPE Attention in Almost Linear TimeYifang Chen, Jiayan Huo, Xiaoyu Li et al.
The Rotary Position Embedding (RoPE) mechanism has become a powerful enhancement to the Transformer architecture, which enables models to capture token relationships when encoding positional information. However, the RoPE mechanisms make the computations of attention mechanisms more complicated, which makes efficient algorithms challenging. Earlier research introduced almost linear time, i.e., $n^{1+o(1)}$ where $n$ is the number of input tokens, algorithms for the forward computation under specific parameter settings. However, achieving a subquadratic time algorithm for other parameter regimes remains impossible unless the widely accepted Strong Exponential Time Hypothesis (SETH) is disproven. In this work, we develop the first almost linear time algorithm for backward computations in the RoPE-based attention under bounded entries. Our approach builds on recent advancements in fast RoPE attention computations, utilizing a novel combination of the polynomial method and the Fast Fourier Transform. Furthermore, we show that with lower bounds derived from the SETH, the bounded entry condition is necessary for subquadratic performance.
LGOct 12, 2024
Fine-grained Attention I/O Complexity: Comprehensive Analysis for Backward PassesXiaoyu Li, Yingyu Liang, Zhenmei Shi et al.
Large Language Models (LLMs) have demonstrated remarkable capabilities in processing long-context information. However, the quadratic complexity of attention computation with respect to sequence length poses significant computational challenges, and I/O aware algorithms have been proposed. This paper presents a comprehensive analysis of the I/O complexity for attention mechanisms, focusing on backward passes by categorizing into small and large cache scenarios. Using the red-blue pebble game framework, we establish tight bounds on I/O complexity across all cache sizes. We confirm that the de facto standard I/O aware algorithm FlashAttention is optimal for both forward and backward passes for the large cache size scenario. For small cache sizes, we provide an algorithm that improves over existing methods and achieves the tight bounds. Additionally, we extend our analysis to sparse attention, a mainstream speeding-up approach, deriving fine-grained lower bounds for both forward and backward passes and both small and large caches. Our findings complete the theoretical foundation for I/O complexity in attention mechanisms, offering insights for designing efficient algorithms of LLM training and inference.
LGFeb 12, 2024
Fourier Circuits in Neural Networks and Transformers: A Case Study of Modular Arithmetic with Multiple InputsChenyang Li, Yingyu Liang, Zhenmei Shi et al.
In the evolving landscape of machine learning, a pivotal challenge lies in deciphering the internal representations harnessed by neural networks and Transformers. Building on recent progress toward comprehending how networks execute distinct target functions, our study embarks on an exploration of the underlying reasons behind networks adopting specific computational strategies. We direct our focus to the complex algebraic learning task of modular addition involving $k$ inputs. Our research presents a thorough analytical characterization of the features learned by stylized one-hidden layer neural networks and one-layer Transformers in addressing this task. A cornerstone of our theoretical framework is the elucidation of how the principle of margin maximization shapes the features adopted by one-hidden layer neural networks. Let $p$ denote the modulus, $D_p$ denote the dataset of modular arithmetic with $k$ inputs and $m$ denote the network width. We demonstrate that a neuron count of $ m \geq 2^{2k-2} \cdot (p-1) $, these networks attain a maximum $ L_{2,k+1} $-margin on the dataset $ D_p $. Furthermore, we establish that each hidden-layer neuron aligns with a specific Fourier spectrum, integral to solving modular addition problems. By correlating our findings with the empirical observations of similar studies, we contribute to a deeper comprehension of the intrinsic computational mechanisms of neural networks. Furthermore, we observe similar computational mechanisms in attention matrices of one-layer Transformers. Our work stands as a significant stride in unraveling their operation complexities, particularly in the realm of complex algebraic tasks.
CVFeb 2, 2025
High-Order Matching for One-Step Shortcut Diffusion ModelsBo Chen, Chengyue Gong, Xiaoyu Li et al.
One-step shortcut diffusion models [Frans, Hafner, Levine and Abbeel, ICLR 2025] have shown potential in vision generation, but their reliance on first-order trajectory supervision is fundamentally limited. The Shortcut model's simplistic velocity-only approach fails to capture intrinsic manifold geometry, leading to erratic trajectories, poor geometric alignment, and instability-especially in high-curvature regions. These shortcomings stem from its inability to model mid-horizon dependencies or complex distributional features, leaving it ill-equipped for robust generative modeling. In this work, we introduce HOMO (High-Order Matching for One-Step Shortcut Diffusion), a game-changing framework that leverages high-order supervision to revolutionize distribution transportation. By incorporating acceleration, jerk, and beyond, HOMO not only fixes the flaws of the Shortcut model but also achieves unprecedented smoothness, stability, and geometric precision. Theoretically, we prove that HOMO's high-order supervision ensures superior approximation accuracy, outperforming first-order methods. Empirically, HOMO dominates in complex settings, particularly in high-curvature regions where the Shortcut model struggles. Our experiments show that HOMO delivers smoother trajectories and better distributional alignment, setting a new standard for one-step generative models.
LGJan 8, 2025
On Computational Limits and Provably Efficient Criteria of Visual Autoregressive Models: A Fine-Grained Complexity AnalysisYekun Ke, Xiaoyu Li, Yingyu Liang et al.
Recently, Visual Autoregressive ($\mathsf{VAR}$) Models introduced a groundbreaking advancement in the field of image generation, offering a scalable approach through a coarse-to-fine ``next-scale prediction'' paradigm. Suppose that $n$ represents the height and width of the last VQ code map generated by $\mathsf{VAR}$ models, the state-of-the-art algorithm in [Tian, Jiang, Yuan, Peng and Wang, NeurIPS 2024] takes $O(n^{4+o(1)})$ time, which is computationally inefficient. In this work, we analyze the computational limits and efficiency criteria of $\mathsf{VAR}$ Models through a fine-grained complexity lens. Our key contribution is identifying the conditions under which $\mathsf{VAR}$ computations can achieve sub-quadratic time complexity. We have proved that assuming the Strong Exponential Time Hypothesis ($\mathsf{SETH}$) from fine-grained complexity theory, a sub-quartic time algorithm for $\mathsf{VAR}$ models is impossible. To substantiate our theoretical findings, we present efficient constructions leveraging low-rank approximations that align with the derived criteria. This work initiates the study of the computational efficiency of the $\mathsf{VAR}$ model from a theoretical perspective. Our technique will shed light on advancing scalable and efficient image generation in $\mathsf{VAR}$ frameworks.
LGFeb 12, 2025
Force Matching with Relativistic Constraints: A Physics-Inspired Approach to Stable and Efficient Generative ModelingYang Cao, Bo Chen, Xiaoyu Li et al.
This paper introduces Force Matching (ForM), a novel framework for generative modeling that represents an initial exploration into leveraging special relativistic mechanics to enhance the stability of the sampling process. By incorporating the Lorentz factor, ForM imposes a velocity constraint, ensuring that sample velocities remain bounded within a constant limit. This constraint serves as a fundamental mechanism for stabilizing the generative dynamics, leading to a more robust and controlled sampling process. We provide a rigorous theoretical analysis demonstrating that the velocity constraint is preserved throughout the sampling procedure within the ForM framework. To validate the effectiveness of our approach, we conduct extensive empirical evaluations. On the \textit{half-moons} dataset, ForM significantly outperforms baseline methods, achieving the lowest Euclidean distance loss of \textbf{0.714}, in contrast to vanilla first-order flow matching (5.853) and first- and second-order flow matching (5.793). Additionally, we perform an ablation study to further investigate the impact of our velocity constraint, reaffirming the superiority of ForM in stabilizing the generative process. The theoretical guarantees and empirical results underscore the potential of integrating special relativity principles into generative modeling. Our findings suggest that ForM provides a promising pathway toward achieving stable, efficient, and flexible generative processes. This work lays the foundation for future advancements in high-dimensional generative modeling, opening new avenues for the application of physical principles in machine learning.
LGDec 8, 2024
Curse of Attention: A Kernel-Based Perspective for Why Transformers Fail to Generalize on Time Series Forecasting and BeyondYekun Ke, Yingyu Liang, Zhenmei Shi et al.
The application of transformer-based models on time series forecasting (TSF) tasks has long been popular to study. However, many of these works fail to beat the simple linear residual model, and the theoretical understanding of this issue is still limited. In this work, we propose the first theoretical explanation of the inefficiency of transformers on TSF tasks. We attribute the mechanism behind it to {\bf Asymmetric Learning} in training attention networks. When the sign of the previous step is inconsistent with the sign of the current step in the next-step-prediction time series, attention fails to learn the residual features. This makes it difficult to generalize on out-of-distribution (OOD) data, especially on the sign-inconsistent next-step-prediction data, with the same representation pattern, whereas a linear residual network could easily accomplish it. We hope our theoretical insights provide important necessary conditions for designing the expressive and efficient transformer-based architecture for practitioners.
MLJan 8, 2025
Circuit Complexity Bounds for Visual Autoregressive ModelYekun Ke, Xiaoyu Li, Yingyu Liang et al.
Understanding the expressive ability of a specific model is essential for grasping its capacity limitations. Recently, several studies have established circuit complexity bounds for Transformer architecture. Besides, the Visual AutoRegressive (VAR) model has risen to be a prominent method in the field of image generation, outperforming previous techniques, such as Diffusion Transformers, in generating high-quality images. We investigate the circuit complexity of the VAR model and establish a bound in this study. Our primary result demonstrates that the VAR model is equivalent to a simulation by a uniform $\mathsf{TC}^0$ threshold circuit with hidden dimension $d \leq O(n)$ and $\mathrm{poly}(n)$ precision. This is the first study to rigorously highlight the limitations in the expressive power of VAR models despite their impressive performance. We believe our findings will offer valuable insights into the inherent constraints of these models and guide the development of more efficient and expressive architectures in the future.
CCDec 7, 2024
On the Expressive Power of Modern Hopfield NetworksXiaoyu Li, Yuanpeng Li, Yingyu Liang et al.
Modern Hopfield networks (MHNs) have emerged as powerful tools in deep learning, capable of replacing components such as pooling layers, LSTMs, and attention mechanisms. Recent advancements have enhanced their storage capacity, retrieval speed, and error rates. However, the fundamental limits of their computational expressiveness remain unexplored. Understanding the expressive power of MHNs is crucial for optimizing their integration into deep learning architectures. In this work, we establish rigorous theoretical bounds on the computational capabilities of MHNs using circuit complexity theory. Our key contribution is that we show that MHNs are $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$. Hence, unless $\mathsf{TC}^0 = \mathsf{NC}^1$, a $\mathrm{poly}(n)$-precision modern Hopfield networks with a constant number of layers and $O(n)$ hidden dimension cannot solve $\mathsf{NC}^1$-hard problems such as the undirected graph connectivity problem and the tree isomorphism problem. We also extended our results to Kernelized Hopfield Networks. These results demonstrate the limitation in the expressive power of the modern Hopfield networks. Moreover, Our theoretical analysis provides insights to guide the development of new Hopfield-based architectures.
LGFeb 10, 2025
Universal Approximation of Visual Autoregressive TransformersYifang Chen, Xiaoyu Li, Yingyu Liang et al.
We investigate the fundamental limits of transformer-based foundation models, extending our analysis to include Visual Autoregressive (VAR) transformers. VAR represents a big step toward generating images using a novel, scalable, coarse-to-fine ``next-scale prediction'' framework. These models set a new quality bar, outperforming all previous methods, including Diffusion Transformers, while having state-of-the-art performance for image synthesis tasks. Our primary contributions establish that, for single-head VAR transformers with a single self-attention layer and single interpolation layer, the VAR Transformer is universal. From the statistical perspective, we prove that such simple VAR transformers are universal approximators for any image-to-image Lipschitz functions. Furthermore, we demonstrate that flow-based autoregressive transformers inherit similar approximation capabilities. Our results provide important design principles for effective and computationally efficient VAR Transformer strategies that can be used to extend their utility to more sophisticated VAR models in image generation and other related areas.
LGDec 23, 2024
Theoretical Constraints on the Expressive Power of $\mathsf{RoPE}$-based Tensor Attention TransformersXiaoyu Li, Yingyu Liang, Zhenmei Shi et al.
Tensor Attention extends traditional attention mechanisms by capturing high-order correlations across multiple modalities, addressing the limitations of classical matrix-based attention. Meanwhile, Rotary Position Embedding ($\mathsf{RoPE}$) has shown superior performance in encoding positional information in long-context scenarios, significantly enhancing transformer models' expressiveness. Despite these empirical successes, the theoretical limitations of these technologies remain underexplored. In this study, we analyze the circuit complexity of Tensor Attention and $\mathsf{RoPE}$-based Tensor Attention, showing that with polynomial precision, constant-depth layers, and linear or sublinear hidden dimension, they cannot solve fixed membership problems or $(A_{F,r})^*$ closure problems, under the assumption that $\mathsf{TC}^0 \neq \mathsf{NC}^1$. These findings highlight a gap between the empirical performance and theoretical constraints of Tensor Attention and $\mathsf{RoPE}$-based Tensor Attention Transformers, offering insights that could guide the development of more theoretically grounded approaches to Transformer model design and scaling.
LGFeb 2, 2025
Dissecting Submission Limit in Desk-Rejections: A Mathematical Analysis of Fairness in AI Conference PoliciesYuefan Cao, Xiaoyu Li, Yingyu Liang et al.
As AI research surges in both impact and volume, conferences have imposed submission limits to maintain paper quality and alleviate organizational pressure. In this work, we examine the fairness of desk-rejection systems under submission limits and reveal that existing practices can result in substantial inequities. Specifically, we formally define the paper submission limit problem and identify a critical dilemma: when the number of authors exceeds three, it becomes impossible to reject papers solely based on excessive submissions without negatively impacting innocent authors. Thus, this issue may unfairly affect early-career researchers, as their submissions may be penalized due to co-authors with significantly higher submission counts, while senior researchers with numerous papers face minimal consequences. To address this, we propose an optimization-based fairness-aware desk-rejection mechanism and formally define two fairness metrics: individual fairness and group fairness. We prove that optimizing individual fairness is NP-hard, whereas group fairness can be efficiently optimized via linear programming. Through case studies, we demonstrate that our proposed system ensures greater equity than existing methods, including those used in CVPR 2025, offering a more socially just approach to managing excessive submissions in AI conferences.
LGApr 7, 2025
Provable Failure of Language Models in Learning Majority Boolean Logic via Gradient DescentBo Chen, Zhenmei Shi, Zhao Song et al.
Recent advancements in Transformer-based architectures have led to impressive breakthroughs in natural language processing tasks, with models such as GPT-4, Claude, and Gemini demonstrating human-level reasoning abilities. However, despite their high performance, concerns remain about the inherent limitations of these models, especially when it comes to learning basic logical functions. While complexity-theoretic analyses indicate that Transformers can represent simple logic functions (e.g., $\mathsf{AND}$, $\mathsf{OR}$, and majority gates) by its nature of belonging to the $\mathsf{TC}^0$ class, these results assume ideal parameter settings and do not account for the constraints imposed by gradient descent-based training methods. In this work, we investigate whether Transformers can truly learn simple majority functions when trained using gradient-based methods. We focus on a simplified variant of the Transformer architecture and consider both $n=\mathrm{poly}(d)$ and $n=\exp(Ω(d))$ number of training samples, where each sample is a $d$-size binary string paired with the output of a basic majority function. Our analysis demonstrates that even after $\mathrm{poly}(d)$ gradient queries, the generalization error of the Transformer model still remains substantially large, growing exponentially with $d$. This work highlights fundamental optimization challenges in training Transformers for the simplest logical reasoning tasks and provides new insights into their theoretical limitations.
LGFeb 23, 2025
On Computational Limits of FlowAR Models: Expressivity and EfficiencyChengyue Gong, Yekun Ke, Xiaoyu Li et al.
The expressive power and computational complexity of deep visual generative models, such as flow-based and autoregressive (AR) models, have gained considerable interest for their wide-ranging applications in generative tasks. However, the theoretical characterization of their expressiveness through the lens of circuit complexity remains underexplored, particularly for the state-of-the-art architecture like FlowAR proposed by [Ren et al., 2024], which integrates flow-based and autoregressive mechanisms. This gap limits our understanding of their inherent computational limits and practical efficiency. In this study, we address this gap by analyzing the circuit complexity of the FlowAR architecture. We demonstrate that when the largest feature map produced by the FlowAR model has dimensions $n \times n \times c$, the FlowAR model is simulable by a family of threshold circuits $\mathsf{TC}^0$, which have constant depth $O(1)$ and polynomial width $\mathrm{poly}(n)$. This is the first study to rigorously highlight the limitations in the expressive power of FlowAR models. Furthermore, we identify the conditions under which the FlowAR model computations can achieve almost quadratic time. To validate our theoretical findings, we present efficient model variant constructions based on low-rank approximations that align with the derived criteria. Our work provides a foundation for future comparisons with other generative paradigms and guides the development of more efficient and expressive implementations.
LGMar 12, 2025
Theoretical Guarantees for High Order Trajectory Refinement in Generative FlowsChengyue Gong, Xiaoyu Li, Yingyu Liang et al.
Flow matching has emerged as a powerful framework for generative modeling, offering computational advantages over diffusion models by leveraging deterministic Ordinary Differential Equations (ODEs) instead of stochastic dynamics. While prior work established the worst case optimality of standard flow matching under Wasserstein distances, the theoretical guarantees for higher-order flow matching - which incorporates acceleration terms to refine sample trajectories - remain unexplored. In this paper, we bridge this gap by proving that higher-order flow matching preserves worst case optimality as a distribution estimator. We derive upper bounds on the estimation error for second-order flow matching, demonstrating that the convergence rates depend polynomially on the smoothness of the target distribution (quantified via Besov spaces) and key parameters of the ODE dynamics. Our analysis employs neural network approximations with carefully controlled depth, width, and sparsity to bound acceleration errors across both small and large time intervals, ultimately unifying these results into a general worst case optimal bound for all time steps.
LGJan 18, 2025
Neural Algorithmic Reasoning for Hypergraphs with Looped TransformersXiaoyu Li, Yingyu Liang, Jiangxuan Long et al.
Looped Transformers have shown exceptional neural algorithmic reasoning capability in simulating traditional graph algorithms, but their application to more complex structures like hypergraphs remains underexplored. Hypergraphs generalize graphs by modeling higher-order relationships among multiple entities, enabling richer representations but introducing significant computational challenges. In this work, we extend the Loop Transformer architecture's neural algorithmic reasoning capability to simulate hypergraph algorithms, addressing the gap between neural networks and combinatorial optimization over hypergraphs. Specifically, we propose a novel degradation mechanism for reducing hypergraphs to graph representations, enabling the simulation of graph-based algorithms, such as Dijkstra's shortest path. Furthermore, we introduce a hyperedge-aware encoding scheme to simulate hypergraph-specific algorithms, exemplified by Helly's algorithm. We establish theoretical guarantees for these simulations, demonstrating the feasibility of processing high-dimensional and combinatorial data using Loop Transformers. This work highlights the potential of Transformers as general-purpose algorithmic solvers for structured data.
CVJan 17, 2025
RichSpace: Enriching Text-to-Video Prompt Space via Text Embedding InterpolationYuefan Cao, Chengyue Gong, Xiaoyu Li et al.
Text-to-video generation models have made impressive progress, but they still struggle with generating videos with complex features. This limitation often arises from the inability of the text encoder to produce accurate embeddings, which hinders the video generation model. In this work, we propose a novel approach to overcome this challenge by selecting the optimal text embedding through interpolation in the embedding space. We demonstrate that this method enables the video generation model to produce the desired videos. Additionally, we introduce a simple algorithm using perpendicular foot embeddings and cosine similarity to identify the optimal interpolation embedding. Our findings highlight the importance of accurate text embeddings and offer a pathway for improving text-to-video generation performance.
CCFeb 24, 2025
When Can We Solve the Weighted Low Rank Approximation Problem in Truly Subquadratic Time?Chenyang Li, Yingyu Liang, Zhenmei Shi et al.
The weighted low-rank approximation problem is a fundamental numerical linear algebra problem and has many applications in machine learning. Given a $n \times n$ weight matrix $W$ and a $n \times n$ matrix $A$, the goal is to find two low-rank matrices $U, V \in \mathbb{R}^{n \times k}$ such that the cost of $\| W \circ (U V^\top - A) \|_F^2$ is minimized. Previous work has to pay $Ω(n^2)$ time when matrices $A$ and $W$ are dense, e.g., having $Ω(n^2)$ non-zero entries. In this work, we show that there is a certain regime, even if $A$ and $W$ are dense, we can still hope to solve the weighted low-rank approximation problem in almost linear $n^{1+o(1)}$ time.
LGOct 15, 2024
Advancing the Understanding of Fixed Point Iterations in Deep Neural Networks: A Detailed Analytical StudyYekun Ke, Xiaoyu Li, Yingyu Liang et al.
Recent empirical studies have identified fixed point iteration phenomena in deep neural networks, where the hidden state tends to stabilize after several layers, showing minimal change in subsequent layers. This observation has spurred the development of practical methodologies, such as accelerating inference by bypassing certain layers once the hidden state stabilizes, selectively fine-tuning layers to modify the iteration process, and implementing loops of specific layers to maintain fixed point iterations. Despite these advancements, the understanding of fixed point iterations remains superficial, particularly in high-dimensional spaces, due to the inadequacy of current analytical tools. In this study, we conduct a detailed analysis of fixed point iterations in a vector-valued function modeled by neural networks. We establish a sufficient condition for the existence of multiple fixed points of looped neural networks based on varying input regions. Additionally, we expand our examination to include a robust version of fixed point iterations. To demonstrate the effectiveness and insights provided by our approach, we provide case studies that looped neural networks may exist $2^d$ number of robust fixed points under exponentiation or polynomial activation functions, where $d$ is the feature dimension. Furthermore, our preliminary empirical results support our theoretical findings. Our methodology enriches the toolkit available for analyzing fixed point iterations of deep neural networks and may enhance our comprehension of neural network mechanisms.
CVMar 11, 2025
HOFAR: High-Order Augmentation of Flow Autoregressive TransformersYingyu Liang, Zhizhou Sha, Zhenmei Shi et al.
Flow Matching and Transformer architectures have demonstrated remarkable performance in image generation tasks, with recent work FlowAR [Ren et al., 2024] synergistically integrating both paradigms to advance synthesis fidelity. However, current FlowAR implementations remain constrained by first-order trajectory modeling during the generation process. This paper introduces a novel framework that systematically enhances flow autoregressive transformers through high-order supervision. We provide theoretical analysis and empirical evaluation showing that our High-Order FlowAR (HOFAR) demonstrates measurable improvements in generation quality compared to baseline models. The proposed approach advances the understanding of flow-based autoregressive modeling by introducing a systematic framework for analyzing trajectory dynamics through high-order expansion.