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S-GAI: Spectral Geometry-Aware Initialization for Sigmoidal MLPs -- From Dataset Geometry to Network Weights

arXiv.org Machine Learning

Classical universal approximation theorems establish the expressive power of sigmoidal multilayer perceptrons, but they do not prescribe how initial weights should encode the geometry of a data distribution. We propose S-GAI, a spectral geometry-aware initialization framework for one-hidden-layer sigmoidal MLPs. Starting from the constructive idea that sigmoid units can act as smooth half-space gates, we move from hand-specified planar geometry to class-wise spectral geometry estimated from image data. For each class, SVD provides a mean, principal directions, and spectral scales. An energy threshold selects the retained directions, and each retained direction is represented by two sigmoid gates. These class-specific gates form a shared hidden layer initialized directly from the training set. We also formulate a SVD-based subspace classifier as a non-neural geometric reference, which tests whether the estimated spectral class geometry is already discriminative before being embedded into the MLP. Experiments on MNIST, Fashion-MNIST, and a more challenging CIFAR-10 test show that the S-GAI-initialized MLP starts from a substantially more informative hidden state than Xavier initialization and reaches comparable final accuracy under full training. When the hidden layer is frozen, training only the output layer still gives stronger performance than frozen random gates, providing evidence that S-GAI effectively embeds class-wise spectral geometry into the MLP.


FAN Fourier Analysis Networks

Neural Information Processing Systems

Despite the remarkable successes of general-purpose neural networks, such as MLPs and Transformers, we find that they exhibit notable shortcomings in modeling and reasoning about periodic phenomena, achieving only marginal performance within the training domain and failing to generalize effectively to out-of-domain (OOD) scenarios. Periodicity is ubiquitous throughout nature and science. Therefore, neural networks should be equipped with the essential ability to model and handle periodicity. In this work, we propose FAN, a novel neural network that effectively addresses periodicity modeling challenges while offering broad applicability similar to MLP with fewer parameters and FLOPs. Periodicity is naturally integrated into FAN's structure and computational processes by introducing the Fourier Principle. Unlike existing Fourier-based networks, which possess particular periodicity modeling abilities but face challenges in scaling to deeper networks and are typically designed for specific tasks, our approach overcomes this challenge to enable scaling to large-scale models and maintains the capability to be applied to more types of tasks. Through extensive experiments, we demonstrate the superiority of FAN in periodicity modeling tasks and the effectiveness and generalizability of FAN across a range of real-world tasks. Moreover, we reveal that compared to existing Fourier-based networks, FAN accommodates both periodicity modeling and general-purpose modeling well.


Breaking the Frozen Subspace: Importance Sampling for Low-Rank Optimization in LLMPretraining

Neural Information Processing Systems

Low-rank optimization has emerged as a promising approach to enabling memoryefficient training of large language models (LLMs). Existing low-rank optimization methods typically project gradients onto a low-rank subspace, reducing the memory cost of storing optimizer states. A key challenge in these methods is selecting suitable subspaces to ensure an effective optimization trajectory. Most existing approaches select the dominant subspace to preserve gradient information, as this intuitively provides the best approximation. However, we find that in practice, the dominant subspace stops changing during pretraining, thereby constraining weight updates to similar subspaces. In this paper, we propose importance sampling for low-rank optimization in LLM pretraining with a provable convergence guarantee, which the dominant subspace approach does not have. Empirically, we demonstrate that our method significantly outperforms previous methods in LLM pretraining tasks.


eae3af0f5868f0a2eceb74208966d55b-Paper-Conference.pdf

Neural Information Processing Systems

Modern LLMs are increasingly deep, and depth correlates with performance, albeit with diminishing returns. However, do these models use their depth efficiently? Do they compose more features to create higher-order computations that are impossible in shallow models, or do they merely spread the same kinds of computation out over more layers? To address these questions, we analyze the residual stream of the Llama 3.1, Qwen 3, and OLMo 2 family of models. We find: First, comparing the output of the sublayers to the residual stream reveals that layers in the second half contribute much less than those in the first half, with a clear phase transition between the two halves.


GradMetaNet: An Equivariant Architecture for Learning on Gradients

Neural Information Processing Systems

Therefore, practitioners often treat gradients as inputs to task-specific algorithms, e.g. for pruning or optimization. Recent works explore learning algorithms that operate directly on gradients but use architectures that are not specifically designed for gradient processing, limiting their applicability. In this paper, we present a principled approach for designing architectures that process gradients. Our approach is guided by three principles: (1) equivariant design that preserves neuron permutation symmetries, (2) processing sets of gradients across multiple data points to capture curvature information, and (3) efficient gradient representation through rank-1 decomposition. Based on these principles, we introduce GradMetaNet, a novel architecture for learning on gradients, constructed from simple equivariant blocks. We prove universality results for GradMetaNet, and show that previous approaches cannot approximate natural gradient-based functions that GradMetaNet can. We then demonstrate GradMetaNet's effectiveness on a diverse set of gradient-based tasks on MLPs and transformers, such as learned optimization, INR editing, and estimating loss landscape curvature.


ALIGNVLM: Bridging Vision and Language Latent Spaces for Multimodal Document Understanding

Neural Information Processing Systems

Aligning visual features with language embeddings is a key challenge in visionlanguage models (VLMs). The performance of such models hinges on having a good connector that maps visual features generated by a vision encoder to a shared embedding space with the LLM while preserving semantic similarity. Existing connectors, such as multilayer perceptrons (MLPs), lack inductive bias to constrain visual features within the linguistic structure of the LLM's embedding space, making them data-hungry and prone to cross-modal misalignment. In this work, we propose a novel vision-text alignment method, ALIGNVLM, that maps visual features to a weighted average of LLM text embeddings. Our approach leverages the linguistic priors encoded by the LLM to ensure that visual features are mapped to regions of the space that the LLM can effectively interpret. ALIGNVLM is particularly effective for document understanding tasks, where visual and textual modalities are highly correlated. Our extensive experiments show that ALIGNVLM achieves state-of-the-art performance compared to prior alignment methods, with larger gains on document understanding tasks and under low-resource setups. We provide further analysis demonstrating its efficiency and robustness to noise.


Reparameterized LLMTraining via Orthogonal Equivalence Transformation

Neural Information Processing Systems

While Large language models (LLMs) are driving the rapid advancement of artificial intelligence, effectively and reliably training these large models remains one of the field's most significant challenges. To address this challenge, we propose POET, a novel reParameterized training algorithm that uses Orthogonal Equivalence Transformation to optimize neurons. Specifically, POET reparameterizes each neuron with two learnable orthogonal matrices and a fixed random weight matrix. Because of its provable preservation of spectral properties of weight matrices, POET can stably optimize the objective function with improved generalization. We further develop efficient approximations that make POET flexible and scalable for training large-scale neural networks.


Self-Assembling Graph Perceptrons

Neural Information Processing Systems

Inspired by the workings of biological brains, humans have designed artificial neural networks (ANNs), sparking profound advancements across various fields. However, the biological brain possesses high plasticity, enabling it to develop simple, efficient, and powerful structures to cope with complex external environments. In contrast, the superior performance of ANNs often relies on meticulously crafted architectures, which can make them vulnerable when handling complex inputs. Moreover, overparameterization often characterizes the most advanced ANNs. This paper explores the path toward building streamlined and plastic ANNs.


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.


Continuous Soft Actor-Critic: An Off-Policy Learning Method Robust to Time Discretization

Neural Information Processing Systems

Many Deep Reinforcement Learning (DRL) algorithms are sensitive to time discretization, which reduces their performance in real-world scenarios. We propose Continuous Soft Actor-Critic, an off-policy actor-critic DRL algorithm in continuous time and space. It is robust to environment time discretization. We also extend the framework to multi-agent scenarios. This Multi-Agent Reinforcement Learning (MARL) algorithm is suitable for both competitive and cooperative settings.