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Approximation theory for 1-Lipschitz ResNets

Neural Information Processing Systems

In this paper, we focus on 1-Lipschitz residual networks (ResNets) based on explicit Euler steps of negative gradient flows and study their approximation capabilities. Leveraging the Restricted Stone-Weierstrass Theorem, we first show that these 1-Lipschitz ResNets are dense in the set of scalar 1-Lipschitz functions on any compact domain when width and depth are allowed to grow. We also show that these networks can exactly represent scalar piecewise affine 1-Lipschitz functions. We then prove a stronger statement: by inserting norm-constrained linear maps between the residual blocks, the same density holds when the hidden width is fixed. Because every layer obeys simple norm constraints, the resulting models can be trained with off-the-shelf optimisers. This paper provides the first universal approximation guarantees for 1-Lipschitz ResNets, laying a rigorous foundation for their practical use.


Scalable, Explainable and Provably Robust Anomaly Detection with One-Step Flow Matching

Neural Information Processing Systems

We introduce Time-Conditioned Contraction Matching (TCCM), a novel method for semi-supervised anomaly detection in tabular data. TCCM is inspired by flow matching, a recent generative modeling framework that learns velocity fields between probability distributions and has shown strong performance compared to diffusion models and generative adversarial networks. Instead of directly applying flow matching as originally formulated, TCCM builds on its core idea--learning velocity fields between distributions--but simplifies the framework by predicting a time-conditioned contraction vector toward a fixed target (the origin) at each sampled time step. This design offers three key advantages: (1) a lightweight and scalable training objective that removes the need for solving ordinary differential equations during training and inference; (2) an efficient scoring strategy called one time-step deviation, which quantifies deviation from expected contraction behavior in a single forward pass, addressing the inference bottleneck of existing continuous-time models such as DTE (a diffusion-based model with leading anomaly detection accuracy but heavy inference cost); and (3) explainability and provable robustness, as the learned velocity field operates directly in input space, making the anomaly score inherently feature-wise attributable; moreover, the score function is Lipschitz-continuous with respect to the input, providing theoretical guarantees under small perturbations. Extensive experiments on the ADBench benchmark show that TCCM strikes a favorable balance between detection accuracy and inference cost, outperforming state-of-the-art methods--especially on high-dimensional and large-scale datasets.


Analyzing the Power of Chain of Thought through Memorization Capabilities

Neural Information Processing Systems

It has been shown that the chain of thought (CoT) can enhance the power of large language models (LLMs) to solve certain mathematical reasoning problems. However, the capacity of CoT is still not fully explored. As an important instance, the following basic question has not yet been answered: Does CoT expand the capability of transformers across all reasoning tasks? We demonstrate that reasoning with transformers is essentially a memorization problem for reasoning datasets.


Learning Provably Improves the Convergence of Gradient Descent

Neural Information Processing Systems

However, L2O lacks rigorous theoretical backing for its own training convergence, as existing analyses often use unrealistic assumptions--a gap this work highlights empirically. We bridge this gap by proving the training convergence of L2O models that learn Gradient Descent (GD) hyperparameters for quadratic programming, leveraging the Neural Tangent Kernel (NTK) theory. We propose a deterministic initialization strategy to support our theoretical results and promote stable training over extended optimization horizons by mitigating gradient explosion. Our L2O framework demonstrates over 50% better optimality than GD and superior robustness over state-of-the-art L2O methods on synthetic datasets.


More Expressive Feedforward Layers: Part I. Token-Adaptive Mixing of Activations

arXiv.org Machine Learning

Feedforward network (FFN) layers account for a large fraction of parameters and nonlinear expressivity in Transformer-based large language models (LLMs). Despite the evolution from ReLU and GELU to gated variants such as SwiGLU, most FFN designs still use a single fixed activation function, applying the same nonlinear transformation to all tokens. In this work, we propose Mixture of Activations (MoA), a token-adaptive FFN design that mixes a dictionary of activation functions using lightweight input-dependent gates while sharing the same linear projections. As an input-independent counterpart, we also introduce learnable activations (LA), which form linear combinations of activation functions for both ReLU-type and SwiGLU-type FFNs. Theoretically, we establish strict finite-width expressive separations among fixed-activation FFNs, LA, and MoA: LA strictly contains fixed-activation FFNs, while MoA strictly contains LA, with the additional expressivity arising from input-dependent nonlinear hybridization. Empirically, we evaluate MoA through extensive pre-training experiments on dense and MoE language models ranging from 0.12B to 2B parameters under different token budgets, optimizers, and learning rate schedules. MoA consistently achieves lower terminal loss and exhibits more favorable scaling behavior than well-tuned baselines, with minimal parameter and computational overhead. These results suggest that token-adaptive activation mixing is a simple and effective mechanism for improving FFN expressivity in LLMs.





Provable Guarantees for Nonlinear Feature Learning in Three-Layer Neural Networks

Neural Information Processing Systems

One of the central questions in the theory of deep learning is to understand how neural networks learn hierarchical features. The ability of deep networks to extract salient features is crucial to both their outstanding generalization ability and the modern deep learning paradigm of pretraining and finetuneing. However, this feature learning process remains poorly understood from a theoretical perspective, with existing analyses largely restricted to two-layer networks. In this work we show that three-layer neural networks have provably richer feature learning capabilities than two-layer networks. We analyze the features learned by a three-layer network trained with layer-wise gradient descent, and present a general purpose theorem which upper bounds the sample complexity and width needed to achieve low test error when the target has specific hierarchical structure. We instantiate our framework in specific statistical learning settings - single-index models and functions of quadratic features - and show that in the latter setting three-layer networks obtain a sample complexity improvement over all existing guarantees for two-layer networks. Crucially, this sample complexity improvement relies on the ability of three-layer networks to efficiently learn nonlinear features. We then establish a concrete optimization-based depth separation by constructing a function which is efficiently learnable via gradient descent on a three-layer network, yet cannot be learned efficiently by a two-layer network. Our work makes progress towards understanding the provable benefit of three-layer neural networks over two-layer networks in the feature learning regime.


The proposition makes use of the following observation: For the discriminator defined in (1), the norm of gradient for wt is upper bounded by k wtDθ(x)k F kxk LY

Neural Information Processing Systems

The upper bound of gradient's Frobenius norm for spectrally-normalized discriminators follows directly. As lw(x) is a linear transformation, we have lcw(x) = c lw(x), and lw(cx) = c lw(x). Moreover, since ReLU and leaky ReLU is linear in R+ and R region, we have ai(cx) = c ai(x). In this section we discuss the gradients with respect the actual parameter wi. From Eq. (12) in [30] we know wtDθ(x) = A, we know that w0tDθ(x) F, otl(x)Dθ(x), and kotl (x)k have upper bounds. From Theorem 1.1 in [44] we know that if wt is initialized with i.i.d random variables from uniform or Gaussian distribution, E kwtkspis lower bounded away from zero at initialization. So k wtDθ(x)kF is upper bounded at initialization. Moreover, we observe empirically that kwtksp is usually increasing during training. Therefore, k wtDθ(x)kF is typically upper bounded during training as well. The following proposition states that spectral normalization also gives an upper bound on kHwi(Dθ)(x)ksp for networks with ReLU or leaky ReLU internal activations.