Kaifeng Lyu

LG
h-index9
24papers
2,107citations
Novelty54%
AI Score54

24 Papers

30.1LGJun 14, 2022
Understanding the Generalization Benefit of Normalization Layers: Sharpness Reduction

Kaifeng Lyu, Zhiyuan Li, Sanjeev Arora · tsinghua

Normalization layers (e.g., Batch Normalization, Layer Normalization) were introduced to help with optimization difficulties in very deep nets, but they clearly also help generalization, even in not-so-deep nets. Motivated by the long-held belief that flatter minima lead to better generalization, this paper gives mathematical analysis and supporting experiments suggesting that normalization (together with accompanying weight-decay) encourages GD to reduce the sharpness of loss surface. Here "sharpness" is carefully defined given that the loss is scale-invariant, a known consequence of normalization. Specifically, for a fairly broad class of neural nets with normalization, our theory explains how GD with a finite learning rate enters the so-called Edge of Stability (EoS) regime, and characterizes the trajectory of GD in this regime via a continuous sharpness-reduction flow.

23.7LGJan 27, 2023
Understanding Incremental Learning of Gradient Descent: A Fine-grained Analysis of Matrix Sensing

Jikai Jin, Zhiyuan Li, Kaifeng Lyu et al. · stanford, tsinghua

It is believed that Gradient Descent (GD) induces an implicit bias towards good generalization in training machine learning models. This paper provides a fine-grained analysis of the dynamics of GD for the matrix sensing problem, whose goal is to recover a low-rank ground-truth matrix from near-isotropic linear measurements. It is shown that GD with small initialization behaves similarly to the greedy low-rank learning heuristics (Li et al., 2020) and follows an incremental learning procedure (Gissin et al., 2019): GD sequentially learns solutions with increasing ranks until it recovers the ground truth matrix. Compared to existing works which only analyze the first learning phase for rank-1 solutions, our result provides characterizations for the whole learning process. Moreover, besides the over-parameterized regime that many prior works focused on, our analysis of the incremental learning procedure also applies to the under-parameterized regime. Finally, we conduct numerical experiments to confirm our theoretical findings.

20.4LGMar 2, 2023Code
Why (and When) does Local SGD Generalize Better than SGD?

Xinran Gu, Kaifeng Lyu, Longbo Huang et al. · tsinghua

Local SGD is a communication-efficient variant of SGD for large-scale training, where multiple GPUs perform SGD independently and average the model parameters periodically. It has been recently observed that Local SGD can not only achieve the design goal of reducing the communication overhead but also lead to higher test accuracy than the corresponding SGD baseline (Lin et al., 2020b), though the training regimes for this to happen are still in debate (Ortiz et al., 2021). This paper aims to understand why (and when) Local SGD generalizes better based on Stochastic Differential Equation (SDE) approximation. The main contributions of this paper include (i) the derivation of an SDE that captures the long-term behavior of Local SGD in the small learning rate regime, showing how noise drives the iterate to drift and diffuse after it has reached close to the manifold of local minima, (ii) a comparison between the SDEs of Local SGD and SGD, showing that Local SGD induces a stronger drift term that can result in a stronger effect of regularization, e.g., a faster reduction of sharpness, and (iii) empirical evidence validating that having a small learning rate and long enough training time enables the generalization improvement over SGD but removing either of the two conditions leads to no improvement.

28.9LGNov 30, 2023Code
Dichotomy of Early and Late Phase Implicit Biases Can Provably Induce Grokking

Kaifeng Lyu, Jikai Jin, Zhiyuan Li et al. · stanford, tsinghua

Recent work by Power et al. (2022) highlighted a surprising "grokking" phenomenon in learning arithmetic tasks: a neural net first "memorizes" the training set, resulting in perfect training accuracy but near-random test accuracy, and after training for sufficiently longer, it suddenly transitions to perfect test accuracy. This paper studies the grokking phenomenon in theoretical setups and shows that it can be induced by a dichotomy of early and late phase implicit biases. Specifically, when training homogeneous neural nets with large initialization and small weight decay on both classification and regression tasks, we prove that the training process gets trapped at a solution corresponding to a kernel predictor for a long time, and then a very sharp transition to min-norm/max-margin predictors occurs, leading to a dramatic change in test accuracy.

21.4CLOct 12, 2023
DistillSpec: Improving Speculative Decoding via Knowledge Distillation

Yongchao Zhou, Kaifeng Lyu, Ankit Singh Rawat et al. · tsinghua

Speculative decoding (SD) accelerates large language model inference by employing a faster draft model for generating multiple tokens, which are then verified in parallel by the larger target model, resulting in the text generated according to the target model distribution. However, identifying a compact draft model that is well-aligned with the target model is challenging. To tackle this issue, we propose DistillSpec that uses knowledge distillation to better align the draft model with the target model, before applying SD. DistillSpec makes two key design choices, which we demonstrate via systematic study to be crucial to improving the draft and target alignment: utilizing on-policy data generation from the draft model, and tailoring the divergence function to the task and decoding strategy. Notably, DistillSpec yields impressive 10 - 45% speedups over standard SD on a range of standard benchmarks, using both greedy and non-greedy sampling. Furthermore, we combine DistillSpec with lossy SD to achieve fine-grained control over the latency vs. task performance trade-off. Finally, in practical scenarios with models of varying sizes, first using distillation to boost the performance of the target model and then applying DistillSpec to train a well-aligned draft model can reduce decoding latency by 6-10x with minimal performance drop, compared to standard decoding without distillation.

24.8AIJul 30, 2024Code
AI-Assisted Generation of Difficult Math Questions

Vedant Shah, Dingli Yu, Kaifeng Lyu et al. · mila, tsinghua

Current LLM training positions mathematical reasoning as a core capability. With publicly available sources fully tapped, there is unmet demand for diverse and challenging math questions. Relying solely on human experts is both time-consuming and costly, while LLM-generated questions often lack the requisite diversity and difficulty. We present a design framework that combines the strengths of LLMs with a human-in-the-loop approach to generate a diverse array of challenging math questions. We leverage LLM metacognition skills [Didolkar et al., 2024] of a strong LLM to extract core "skills" from existing math datasets. These skills serve as the basis for generating novel and difficult questions by prompting the LLM with random pairs of core skills. The use of two different skills within each question makes finding such questions an "out of distribution" task for both LLMs and humans. Our pipeline employs LLMs to iteratively generate and refine questions and solutions through multiturn prompting. Human annotators then verify and further refine the questions, with their efficiency enhanced via further LLM interactions. Applying this pipeline on skills extracted from the MATH dataset [Hendrycks et al., 2021] resulted in MATH$^2$ - a dataset of higher-quality math questions, as evidenced by: (a) Lower performance of all models on MATH$^2$ than on MATH (b) Higher performance on MATH when using MATH$^2$ questions as in-context examples. Although focused on mathematics, our methodology seems applicable to other domains requiring structured reasoning, and potentially as a component of scalable oversight. Also of interest is a striking relationship observed between models' performance on the new dataset: the success rate on MATH$^2$ is the square on MATH, suggesting that successfully solving the question in MATH$^2$ requires a nontrivial combination of two distinct math skills.

13.1MLNov 5, 2022Code
New Definitions and Evaluations for Saliency Methods: Staying Intrinsic, Complete and Sound

Arushi Gupta, Nikunj Saunshi, Dingli Yu et al. · tsinghua

Saliency methods compute heat maps that highlight portions of an input that were most {\em important} for the label assigned to it by a deep net. Evaluations of saliency methods convert this heat map into a new {\em masked input} by retaining the $k$ highest-ranked pixels of the original input and replacing the rest with \textquotedblleft uninformative\textquotedblright\ pixels, and checking if the net's output is mostly unchanged. This is usually seen as an {\em explanation} of the output, but the current paper highlights reasons why this inference of causality may be suspect. Inspired by logic concepts of {\em completeness \& soundness}, it observes that the above type of evaluation focuses on completeness of the explanation, but ignores soundness. New evaluation metrics are introduced to capture both notions, while staying in an {\em intrinsic} framework -- i.e., using the dataset and the net, but no separately trained nets, human evaluations, etc. A simple saliency method is described that matches or outperforms prior methods in the evaluations. Experiments also suggest new intrinsic justifications, based on soundness, for popular heuristic tricks such as TV regularization and upsampling.

30.4LGMay 20, 2022Code
On the SDEs and Scaling Rules for Adaptive Gradient Algorithms

Sadhika Malladi, Kaifeng Lyu, Abhishek Panigrahi et al. · tsinghua

Approximating Stochastic Gradient Descent (SGD) as a Stochastic Differential Equation (SDE) has allowed researchers to enjoy the benefits of studying a continuous optimization trajectory while carefully preserving the stochasticity of SGD. Analogous study of adaptive gradient methods, such as RMSprop and Adam, has been challenging because there were no rigorously proven SDE approximations for these methods. This paper derives the SDE approximations for RMSprop and Adam, giving theoretical guarantees of their correctness as well as experimental validation of their applicability to common large-scaling vision and language settings. A key practical result is the derivation of a $\textit{square root scaling rule}$ to adjust the optimization hyperparameters of RMSprop and Adam when changing batch size, and its empirical validation in deep learning settings.

13.7LGJul 27, 2023
The Marginal Value of Momentum for Small Learning Rate SGD

Runzhe Wang, Sadhika Malladi, Tianhao Wang et al. · tsinghua

Momentum is known to accelerate the convergence of gradient descent in strongly convex settings without stochastic gradient noise. In stochastic optimization, such as training neural networks, folklore suggests that momentum may help deep learning optimization by reducing the variance of the stochastic gradient update, but previous theoretical analyses do not find momentum to offer any provable acceleration. Theoretical results in this paper clarify the role of momentum in stochastic settings where the learning rate is small and gradient noise is the dominant source of instability, suggesting that SGD with and without momentum behave similarly in the short and long time horizons. Experiments show that momentum indeed has limited benefits for both optimization and generalization in practical training regimes where the optimal learning rate is not very large, including small- to medium-batch training from scratch on ImageNet and fine-tuning language models on downstream tasks.

9.8LGOct 22, 2023Code
A Quadratic Synchronization Rule for Distributed Deep Learning

Xinran Gu, Kaifeng Lyu, Sanjeev Arora et al. · tsinghua

In distributed deep learning with data parallelism, synchronizing gradients at each training step can cause a huge communication overhead, especially when many nodes work together to train large models. Local gradient methods, such as Local SGD, address this issue by allowing workers to compute locally for $H$ steps without synchronizing with others, hence reducing communication frequency. While $H$ has been viewed as a hyperparameter to trade optimization efficiency for communication cost, recent research indicates that setting a proper $H$ value can lead to generalization improvement. Yet, selecting a proper $H$ is elusive. This work proposes a theory-grounded method for determining $H$, named the Quadratic Synchronization Rule (QSR), which recommends dynamically setting $H$ in proportion to $\frac{1}{η^2}$ as the learning rate $η$ decays over time. Extensive ImageNet experiments on ResNet and ViT show that local gradient methods with QSR consistently improve the test accuracy over other synchronization strategies. Compared with the standard data parallel training, QSR enables Local AdamW on ViT-B to cut the training time on 16 or 64 GPUs down from 26.7 to 20.2 hours or from 8.6 to 5.5 hours and, at the same time, achieves $1.16\%$ or $0.84\%$ higher top-1 validation accuracy.

16.7AIApr 24
The Power of Power Law: Asymmetry Enables Compositional Reasoning

Zixuan Wang, Xingyu Dang, Jason D. Lee et al.

Natural language data follows a power-law distribution, with most knowledge and skills appearing at very low frequency. While a common intuition suggests that reweighting or curating data towards a uniform distribution may help models better learn these long-tail skills, we find a counterintuitive result: across a wide range of compositional reasoning tasks, such as state tracking and multi-step arithmetic, training under power-law distributions consistently outperforms training under uniform distributions. To understand this advantage, we introduce a minimalist skill-composition task and show that learning under a power-law distribution provably requires significantly less training data. Our theoretical analysis reveals that power law sampling induces a beneficial asymmetry that improves the pathological loss landscape, which enables models to first acquire high-frequency skill compositions with low data complexity, which in turn serves as a stepping stone to efficiently learn rare long-tailed skills. Our results offer an alternative perspective on what constitutes an effective data distribution for training models.

34.2LGFeb 28, 2024Code
Keeping LLMs Aligned After Fine-tuning: The Crucial Role of Prompt Templates

Kaifeng Lyu, Haoyu Zhao, Xinran Gu et al. · mila, tsinghua

Public LLMs such as the Llama 2-Chat underwent alignment training and were considered safe. Recently Qi et al. [2024] reported that even benign fine-tuning on seemingly safe datasets can give rise to unsafe behaviors in the models. The current paper is about methods and best practices to mitigate such loss of alignment. We focus on the setting where a public model is fine-tuned before serving users for specific usage, where the model should improve on the downstream task while maintaining alignment. Through extensive experiments on several chat models (Meta's Llama 2-Chat, Mistral AI's Mistral 7B Instruct v0.2, and OpenAI's GPT-3.5 Turbo), this paper uncovers that the prompt templates used during fine-tuning and inference play a crucial role in preserving safety alignment, and proposes the ``Pure Tuning, Safe Testing'' (PTST) strategy -- fine-tune models without a safety prompt, but include it at test time. This seemingly counterintuitive strategy incorporates an intended distribution shift to encourage alignment preservation. Fine-tuning experiments on GSM8K, ChatDoctor, and OpenOrca show that PTST significantly reduces the rise of unsafe behaviors.

31.0LGFeb 28, 2024Code
RNNs are not Transformers (Yet): The Key Bottleneck on In-context Retrieval

Kaiyue Wen, Xingyu Dang, Kaifeng Lyu · tsinghua

This paper investigates the gap in representation powers of Recurrent Neural Networks (RNNs) and Transformers in the context of solving algorithmic problems. We focus on understanding whether RNNs, known for their memory efficiency in handling long sequences, can match the performance of Transformers, particularly when enhanced with Chain-of-Thought (CoT) prompting. Our theoretical analysis reveals that CoT improves RNNs but is insufficient to close the gap with Transformers. A key bottleneck lies in the inability of RNNs to perfectly retrieve information from the context, even with CoT: for several tasks that explicitly or implicitly require this capability, such as associative recall and determining if a graph is a tree, we prove that RNNs are not expressive enough to solve the tasks while Transformers can solve them with ease. Conversely, we prove that adopting techniques to enhance the in-context retrieval capability of RNNs, including Retrieval-Augmented Generation (RAG) and adding a single Transformer layer, can elevate RNNs to be capable of solving all polynomial-time solvable problems with CoT, hence closing the representation gap with Transformers.

30.4AIMar 25, 2025
LEGO-Puzzles: How Good Are MLLMs at Multi-Step Spatial Reasoning?

Kexian Tang, Junyao Gao, Yanhong Zeng et al. · pku

Multi-step spatial reasoning entails understanding and reasoning about spatial relationships across multiple sequential steps, which is crucial for tackling complex real-world applications, such as robotic manipulation, autonomous navigation, and automated assembly. To assess how well current Multimodal Large Language Models (MLLMs) have acquired this fundamental capability, we introduce LEGO-Puzzles, a scalable benchmark designed to evaluate both spatial understanding and sequential reasoning in MLLMs through LEGO-based tasks. LEGO-Puzzles consists of 1,100 carefully curated visual question-answering (VQA) samples spanning 11 distinct tasks, ranging from basic spatial understanding to complex multi-step reasoning. Based on LEGO-Puzzles, we conduct a comprehensive evaluation of 20 state-of-the-art MLLMs and uncover significant limitations in their spatial reasoning capabilities: even the most powerful MLLMs can answer only about half of the test cases, whereas human participants achieve over 90% accuracy. Furthermore, based on LEGO-Puzzles, we design generation tasks to investigate whether MLLMs can transfer their spatial understanding and reasoning abilities to image generation. Our experiments show that only GPT-4o and Gemini-2.0-Flash exhibit a limited ability to follow these instructions, while other MLLMs either replicate the input image or generate completely irrelevant outputs. Overall, LEGO-Puzzles exposes critical deficiencies in existing MLLMs' spatial understanding and sequential reasoning capabilities, and underscores the need for further advancements in multimodal spatial reasoning.

7.2CLFeb 8, 2024
Efficient Stagewise Pretraining via Progressive Subnetworks

Abhishek Panigrahi, Nikunj Saunshi, Kaifeng Lyu et al. · tsinghua

Recent developments in large language models have sparked interest in efficient pretraining methods. Stagewise training approaches to improve efficiency, like gradual stacking and layer dropping (Reddi et al, 2023; Zhang & He, 2020), have recently garnered attention. The prevailing view suggests that stagewise dropping strategies, such as layer dropping, are ineffective, especially when compared to stacking-based approaches. This paper challenges this notion by demonstrating that, with proper design, dropping strategies can be competitive, if not better, than stacking methods. Specifically, we develop a principled stagewise training framework, progressive subnetwork training, which only trains subnetworks within the model and progressively increases the size of subnetworks during training, until it trains the full network. We propose an instantiation of this framework - Random Part Training (RAPTR) - that selects and trains only a random subnetwork (e.g. depth-wise, width-wise) of the network at each step, progressively increasing the size in stages. We show that this approach not only generalizes prior works like layer dropping but also fixes their key issues. Furthermore, we establish a theoretical basis for such approaches and provide justification for (a) increasing complexity of subnetworks in stages, conceptually diverging from prior works on layer dropping, and (b) stability in loss across stage transitions in presence of key modern architecture components like residual connections and layer norms. Through comprehensive experiments, we demonstrate that RAPTR can significantly speed up training of standard benchmarks like BERT and UL2, up to 33% compared to standard training and, surprisingly, also shows better downstream performance on UL2, improving QA tasks and SuperGLUE by 1.5%; thereby, providing evidence of better inductive bias.

20.5LGMar 4, 2025
Weak-to-Strong Generalization Even in Random Feature Networks, Provably

Marko Medvedev, Kaifeng Lyu, Dingli Yu et al. · tsinghua

Weak-to-Strong Generalization (Burns et al., 2024) is the phenomenon whereby a strong student, say GPT-4, learns a task from a weak teacher, say GPT-2, and ends up significantly outperforming the teacher. We show that this phenomenon does not require a strong learner like GPT-4. We consider student and teacher that are random feature models, described by two-layer networks with a random and fixed bottom layer and a trained top layer. A "weak" teacher, with a small number of units (i.e. random features), is trained on the population, and a "strong" student, with a much larger number of units (i.e. random features), is trained only on labels generated by the weak teacher. We demonstrate, prove, and understand how the student can outperform the teacher, even though trained only on data labeled by the teacher. We also explain how such weak-to-strong generalization is enabled by early stopping. Importantly, we also show the quantitative limits of weak-to-strong generalization in this model.

15.7LGNov 17, 2025
Larger Datasets Can Be Repeated More: A Theoretical Analysis of Multi-Epoch Scaling in Linear Regression

Tingkai Yan, Haodong Wen, Binghui Li et al.

While data scaling laws of large language models (LLMs) have been widely examined in the one-pass regime with massive corpora, their form under limited data and repeated epochs remains largely unexplored. This paper presents a theoretical analysis of how a common workaround, training for multiple epochs on the same dataset, reshapes the data scaling laws in linear regression. Concretely, we ask: to match the performance of training on a dataset of size $N$ for $K$ epochs, how much larger must a dataset be if the model is trained for only one pass? We quantify this using the \textit{effective reuse rate} of the data, $E(K, N)$, which we define as the multiplicative factor by which the dataset must grow under one-pass training to achieve the same test loss as $K$-epoch training. Our analysis precisely characterizes the scaling behavior of $E(K, N)$ for SGD in linear regression under either strong convexity or Zipf-distributed data: (1) When $K$ is small, we prove that $E(K, N) \approx K$, indicating that every new epoch yields a linear gain; (2) As $K$ increases, $E(K, N)$ plateaus at a problem-dependent value that grows with $N$ ($Θ(\log N)$ for the strongly-convex case), implying that larger datasets can be repeated more times before the marginal benefit vanishes. These theoretical findings point out a neglected factor in a recent empirical study (Muennighoff et al. (2023)), which claimed that training LLMs for up to $4$ epochs results in negligible loss differences compared to using fresh data at each step, \textit{i.e.}, $E(K, N) \approx K$ for $K \le 4$ in our notation. Supported by further empirical validation with LLMs, our results reveal that the maximum $K$ value for which $E(K, N) \approx K$ in fact depends on the data size and distribution, and underscore the need to explicitly model both factors in future studies of scaling laws with data reuse.

7.9LGOct 14, 2024
Feature Averaging: An Implicit Bias of Gradient Descent Leading to Non-Robustness in Neural Networks

Binghui Li, Zhixuan Pan, Kaifeng Lyu et al.

In this work, we investigate a particular implicit bias in gradient descent training, which we term "Feature Averaging," and argue that it is one of the principal factors contributing to the non-robustness of deep neural networks. We show that, even when multiple discriminative features are present in the input data, neural networks trained by gradient descent tend to rely on an average (or a certain combination) of these features for classification, rather than distinguishing and leveraging each feature individually. Specifically, we provide a detailed theoretical analysis of the training dynamics of two-layer ReLU networks on a binary classification task, where the data distribution consists of multiple clusters with mutually orthogonal centers. We rigorously prove that gradient descent biases the network towards feature averaging, where the weights of each hidden neuron represent an average of the cluster centers (each corresponding to a distinct feature), thereby making the network vulnerable to input perturbations aligned with the negative direction of the averaged features. On the positive side, we demonstrate that this vulnerability can be mitigated through more granular supervision. In particular, we prove that a two-layer ReLU network can achieve optimal robustness when trained to classify individual features rather than merely the original binary classes. Finally, we validate our theoretical findings with experiments on synthetic datasets, MNIST, and CIFAR-10, and confirm the prevalence of feature averaging and its impact on adversarial robustness. We hope these theoretical and empirical insights deepen the understanding of how gradient descent shapes feature learning and adversarial robustness, and how more detailed supervision can enhance robustness.

49.3CRJun 10, 2024Code
Safety Alignment Should Be Made More Than Just a Few Tokens Deep

Xiangyu Qi, Ashwinee Panda, Kaifeng Lyu et al.

The safety alignment of current Large Language Models (LLMs) is vulnerable. Relatively simple attacks, or even benign fine-tuning, can jailbreak aligned models. We argue that many of these vulnerabilities are related to a shared underlying issue: safety alignment can take shortcuts, wherein the alignment adapts a model's generative distribution primarily over only its very first few output tokens. We refer to this issue as shallow safety alignment. In this paper, we present case studies to explain why shallow safety alignment can exist and provide evidence that current aligned LLMs are subject to this issue. We also show how these findings help explain multiple recently discovered vulnerabilities in LLMs, including the susceptibility to adversarial suffix attacks, prefilling attacks, decoding parameter attacks, and fine-tuning attacks. Importantly, we discuss how this consolidated notion of shallow safety alignment sheds light on promising research directions for mitigating these vulnerabilities. For instance, we show that deepening the safety alignment beyond just the first few tokens can often meaningfully improve robustness against some common exploits. Finally, we design a regularized finetuning objective that makes the safety alignment more persistent against fine-tuning attacks by constraining updates on initial tokens. Overall, we advocate that future safety alignment should be made more than just a few tokens deep.

26.6LGOct 26, 2021
Gradient Descent on Two-layer Nets: Margin Maximization and Simplicity Bias

Kaifeng Lyu, Zhiyuan Li, Runzhe Wang et al.

The generalization mystery of overparametrized deep nets has motivated efforts to understand how gradient descent (GD) converges to low-loss solutions that generalize well. Real-life neural networks are initialized from small random values and trained with cross-entropy loss for classification (unlike the "lazy" or "NTK" regime of training where analysis was more successful), and a recent sequence of results (Lyu and Li, 2020; Chizat and Bach, 2020; Ji and Telgarsky, 2020) provide theoretical evidence that GD may converge to the "max-margin" solution with zero loss, which presumably generalizes well. However, the global optimality of margin is proved only in some settings where neural nets are infinitely or exponentially wide. The current paper is able to establish this global optimality for two-layer Leaky ReLU nets trained with gradient flow on linearly separable and symmetric data, regardless of the width. The analysis also gives some theoretical justification for recent empirical findings (Kalimeris et al., 2019) on the so-called simplicity bias of GD towards linear or other "simple" classes of solutions, especially early in training. On the pessimistic side, the paper suggests that such results are fragile. A simple data manipulation can make gradient flow converge to a linear classifier with suboptimal margin.

29.5LGDec 17, 2020
Towards Resolving the Implicit Bias of Gradient Descent for Matrix Factorization: Greedy Low-Rank Learning

Zhiyuan Li, Yuping Luo, Kaifeng Lyu

Matrix factorization is a simple and natural test-bed to investigate the implicit regularization of gradient descent. Gunasekar et al. (2017) conjectured that Gradient Flow with infinitesimal initialization converges to the solution that minimizes the nuclear norm, but a series of recent papers argued that the language of norm minimization is not sufficient to give a full characterization for the implicit regularization. In this work, we provide theoretical and empirical evidence that for depth-2 matrix factorization, gradient flow with infinitesimal initialization is mathematically equivalent to a simple heuristic rank minimization algorithm, Greedy Low-Rank Learning, under some reasonable assumptions. This generalizes the rank minimization view from previous works to a much broader setting and enables us to construct counter-examples to refute the conjecture from Gunasekar et al. (2017). We also extend the results to the case where depth $\ge 3$, and we show that the benefit of being deeper is that the above convergence has a much weaker dependence over initialization magnitude so that this rank minimization is more likely to take effect for initialization with practical scale.

19.7LGOct 6, 2020
Reconciling Modern Deep Learning with Traditional Optimization Analyses: The Intrinsic Learning Rate

Zhiyuan Li, Kaifeng Lyu, Sanjeev Arora

Recent works (e.g., (Li and Arora, 2020)) suggest that the use of popular normalization schemes (including Batch Normalization) in today's deep learning can move it far from a traditional optimization viewpoint, e.g., use of exponentially increasing learning rates. The current paper highlights other ways in which behavior of normalized nets departs from traditional viewpoints, and then initiates a formal framework for studying their mathematics via suitable adaptation of the conventional framework namely, modeling SGD-induced training trajectory via a suitable stochastic differential equation (SDE) with a noise term that captures gradient noise. This yields: (a) A new ' intrinsic learning rate' parameter that is the product of the normal learning rate and weight decay factor. Analysis of the SDE shows how the effective speed of learning varies and equilibrates over time under the control of intrinsic LR. (b) A challenge -- via theory and experiments -- to popular belief that good generalization requires large learning rates at the start of training. (c) New experiments, backed by mathematical intuition, suggesting the number of steps to equilibrium (in function space) scales as the inverse of the intrinsic learning rate, as opposed to the exponential time convergence bound implied by SDE analysis. We name it the Fast Equilibrium Conjecture and suggest it holds the key to why Batch Normalization is effective.

37.4LGJun 13, 2019Code
Gradient Descent Maximizes the Margin of Homogeneous Neural Networks

Kaifeng Lyu, Jian Li

In this paper, we study the implicit regularization of the gradient descent algorithm in homogeneous neural networks, including fully-connected and convolutional neural networks with ReLU or LeakyReLU activations. In particular, we study the gradient descent or gradient flow (i.e., gradient descent with infinitesimal step size) optimizing the logistic loss or cross-entropy loss of any homogeneous model (possibly non-smooth), and show that if the training loss decreases below a certain threshold, then we can define a smoothed version of the normalized margin which increases over time. We also formulate a natural constrained optimization problem related to margin maximization, and prove that both the normalized margin and its smoothed version converge to the objective value at a KKT point of the optimization problem. Our results generalize the previous results for logistic regression with one-layer or multi-layer linear networks, and provide more quantitative convergence results with weaker assumptions than previous results for homogeneous smooth neural networks. We conduct several experiments to justify our theoretical finding on MNIST and CIFAR-10 datasets. Finally, as margin is closely related to robustness, we discuss potential benefits of training longer for improving the robustness of the model.

25.3LGDec 10, 2018
Theoretical Analysis of Auto Rate-Tuning by Batch Normalization

Sanjeev Arora, Zhiyuan Li, Kaifeng Lyu

Batch Normalization (BN) has become a cornerstone of deep learning across diverse architectures, appearing to help optimization as well as generalization. While the idea makes intuitive sense, theoretical analysis of its effectiveness has been lacking. Here theoretical support is provided for one of its conjectured properties, namely, the ability to allow gradient descent to succeed with less tuning of learning rates. It is shown that even if we fix the learning rate of scale-invariant parameters (e.g., weights of each layer with BN) to a constant (say, $0.3$), gradient descent still approaches a stationary point (i.e., a solution where gradient is zero) in the rate of $T^{-1/2}$ in $T$ iterations, asymptotically matching the best bound for gradient descent with well-tuned learning rates. A similar result with convergence rate $T^{-1/4}$ is also shown for stochastic gradient descent.