Adaptive Methods through the Lens of SDEs: Theoretical Insights on the Role of Noise

Despite the vast empirical evidence supporting the efficacy of adaptive optimization methods in deep learning, their theoretical understanding is far from complete. This work introduces novel SDEs for commonly used adaptive optimizers: SignSGD, RMSprop(W), and Adam(W). These SDEs offer a quantitatively accurate description of these optimizers and help illuminate an intricate relationship between adaptivity, gradient noise, and curvature. Our novel analysis of SignSGD highlights a noteworthy and precise contrast to SGD in terms of convergence speed, stationary distribution, and robustness to heavy-tail noise. We extend this analysis to AdamW and RMSpropW, for which we observe that the role of noise is much more complex. Crucially, we support our theoretical analysis with experimental evidence by verifying our insights: this includes numerically integrating our SDEs using Euler-Maruyama discretization on various neural network architectures such as MLPs, CNNs, ResNets, and Transformers. Our SDEs accurately track the behavior of the respective optimizers, especially when compared to previous SDEs derived for Adam and RMSprop. We believe our approach can provide valuable insights into best training practices and novel scaling rules.

NIMBA: Towards Robust and Principled Processing of Point Clouds With SSMs

Transformers have become dominant in large-scale deep learning tasks across various domains, including text, 2D and 3D vision. However, the quadratic complexity of their attention mechanism limits their efficiency as the sequence length increases, particularly in high-resolution 3D data such as point clouds. Recently, state space models (SSMs) like Mamba have emerged as promising alternatives, offering linear complexity, scalability, and high performance in long-sequence tasks. The key challenge in the application of SSMs in this domain lies in reconciling the non-sequential structure of point clouds with the inherently directional (or bi-directional) order-dependent processing of recurrent models like Mamba. To achieve this, previous research proposed reorganizing point clouds along multiple directions or predetermined paths in 3D space, concatenating the results to produce a single 1D sequence capturing different views. In our work, we introduce a method to convert point clouds into 1D sequences that maintain 3D spatial structure with no need for data replication, allowing Mamba sequential processing to be applied effectively in an almost permutation-invariant manner. In contrast to other works, we found that our method does not require positional embeddings and allows for shorter sequence lengths while still achieving state-of-the-art results in ModelNet40 and ScanObjectNN datasets and surpassing Transformer-based models in both accuracy and efficiency.

Loss Landscape Characterization of Neural Networks without Over-Parametrization

Optimization methods play a crucial role in modern machine learning, powering the remarkable empirical achievements of deep learning models. These successes are even more remarkable given the complex non-convex nature of the loss landscape of these models. Yet, ensuring the convergence of optimization methods requires specific structural conditions on the objective function that are rarely satisfied in practice. One prominent example is the widely recognized Polyak-Lojasiewicz (PL) inequality, which has gained considerable attention in recent years. However, validating such assumptions for deep neural networks entails substantial and often impractical levels of over-parametrization. In order to address this limitation, we propose a novel class of functions that can characterize the loss landscape of modern deep models without requiring extensive over-parametrization and can also include saddle points. Crucially, we prove that gradient-based optimizers possess theoretical guarantees of convergence under this assumption. Finally, we validate the soundness of our new function class through both theoretical analysis and empirical experimentation across a diverse range of deep learning models.

Geometric Inductive Biases of Deep Networks: The Role of Data and Architecture

In this paper, we propose the $\textit{geometric invariance hypothesis (GIH)}$, which argues that when training a neural network, the input space curvature remains invariant under transformation in certain directions determined by its architecture. Starting with a simple non-linear binary classification problem residing on a plane in a high dimensional space, we observe that while an MLP can solve this problem regardless of the orientation of the plane, this is not the case for a ResNet. Motivated by this example, we define two maps that provide a compact $\textit{architecture-dependent}$ summary of the input space geometry of a neural network and its evolution during training, which we dub the $\textbf{average geometry}$ and $\textbf{average geometry evolution}$, respectively. By investigating average geometry evolution at initialization, we discover that the geometry of a neural network evolves according to the projection of data covariance onto average geometry. As a result, in cases where the average geometry is low-rank (such as in a ResNet), the geometry only changes in a subset of the input space. This causes an architecture-dependent invariance property in input-space curvature, which we dub GIH. Finally, we present extensive experimental results to observe the consequences of GIH and how it relates to generalization in neural networks.

An Adaptive Stochastic Gradient Method with Non-negative Gauss-Newton Stepsizes

We consider the problem of minimizing the average of a large number of smooth but possibly non-convex functions. In the context of most machine learning applications, each loss function is non-negative and thus can be expressed as the composition of a square and its real-valued square root. This reformulation allows us to apply the Gauss-Newton method, or the Levenberg-Marquardt method when adding a quadratic regularization. The resulting algorithm, while being computationally as efficient as the vanilla stochastic gradient method, is highly adaptive and can automatically warmup and decay the effective stepsize while tracking the non-negative loss landscape. We provide a tight convergence analysis, leveraging new techniques, in the stochastic convex and non-convex settings. In particular, in the convex case, the method does not require access to the gradient Lipshitz constant for convergence, and is guaranteed to never diverge. The convergence rates and empirical evaluations compare favorably to the classical (stochastic) gradient method as well as to several other adaptive methods.

Gradient Descent on Logistic Regression with Non-Separable Data and Large Step Sizes

We study gradient descent (GD) dynamics on logistic regression problems with large, constant step sizes. For linearly-separable data, it is known that GD converges to the minimizer with arbitrarily large step sizes, a property which no longer holds when the problem is not separable. In fact, the behaviour can be much more complex -- a sequence of period-doubling bifurcations begins at the critical step size $2/\lambda$, where $\lambda$ is the largest eigenvalue of the Hessian at the solution. Using a smaller-than-critical step size guarantees convergence if initialized nearby the solution: but does this suffice globally? In one dimension, we show that a step size less than $1/\lambda$ suffices for global convergence. However, for all step sizes between $1/\lambda$ and the critical step size $2/\lambda$, one can construct a dataset such that GD converges to a stable cycle. In higher dimensions, this is actually possible even for step sizes less than $1/\lambda$. Our results show that although local convergence is guaranteed for all step sizes less than the critical step size, global convergence is not, and GD may instead converge to a cycle depending on the initialization.

Recurrent neural networks: vanishing and exploding gradients are not the end of the story

Recurrent neural networks (RNNs) notoriously struggle to learn long-term memories, primarily due to vanishing and exploding gradients. The recent success of state-space models (SSMs), a subclass of RNNs, to overcome such difficulties challenges our theoretical understanding. In this paper, we delve into the optimization challenges of RNNs and discover that, as the memory of a network increases, changes in its parameters result in increasingly large output variations, making gradient-based learning highly sensitive, even without exploding gradients. Our analysis further reveals the importance of the element-wise recurrence design pattern combined with careful parametrizations in mitigating this effect. This feature is present in SSMs, as well as in other architectures, such as LSTMs. Overall, our insights provide a new explanation for some of the difficulties in gradient-based learning of RNNs and why some architectures perform better than others.

Understanding the differences in Foundation Models: Attention, State Space Models, and Recurrent Neural Networks

Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.

On the low-shot transferability of -Mamba

The strength of modern large-scale neural networks lies in their ability to efficiently adapt to new tasks with few examples. Although extensive research has investigated the transferability of Vision Transformers (ViTs) to various downstream tasks under diverse constraints, this study shifts focus to explore the transfer learning potential of [V]-Mamba. We compare its performance with ViTs across different few-shot data budgets and efficient transfer methods. Our analysis yields three key insights into [V]-Mamba's few-shot transfer performance: (a) [V]-Mamba demonstrates superior or equivalent few-shot learning capabilities compared to ViTs when utilizing linear probing (LP) for transfer, (b) Conversely, [V]-Mamba exhibits weaker or similar few-shot learning performance compared to ViTs when employing visual prompting (VP) as the transfer method, and (c) We observe a weak positive correlation between the performance gap in transfer via LP and VP and the scale of the [V]-Mamba model. This preliminary analysis lays the foundation for more comprehensive studies aimed at furthering our understanding of the capabilities of [V]-Mamba variants and their distinctions from ViTs.

Theoretical Foundations of Deep Selective State-Space Models

Structured state-space models (SSMs) such as S4, stemming from the seminal work of Gu et al., are gaining popularity as effective approaches for modeling sequential data. Deep SSMs demonstrate outstanding performance across a diverse set of domains, at a reduced training and inference cost compared to attention-based transformers. Recent developments show that if the linear recurrence powering SSMs allows for multiplicative interactions between inputs and hidden states (e.g. GateLoop, Mamba, GLA), then the resulting architecture can surpass in both in accuracy and efficiency attention-powered foundation models trained on text, at scales of billion parameters. In this paper, we give theoretical grounding to this recent finding using tools from Rough Path Theory: we show that when random linear recurrences are equipped with simple input-controlled transitions (selectivity mechanism), then the hidden state is provably a low-dimensional projection of a powerful mathematical object called the signature of the input -- capturing non-linear interactions between tokens at distinct timescales. Our theory not only motivates the success of modern selective state-space models such as Mamba but also provides a solid framework to understand the expressive power of future SSM variants.