Perceptrons
Model Editing for Vision Transformers
Model editing offers a promising paradigm for efficiently and precisely updating knowledge in pre-trained transformers without costly retraining. While extensively studied in language models (LMs), model editing for vision transformers (ViTs) remains underexplored. Existing methods typically adapt LM-based techniques by modifying the multi-layer perceptron (MLP) modules, overlooking the unique characteristics of ViTs. In this work, we show that ViT predictions are more strongly influenced by the multi-head self-attention (MSA) modules than by the MLPs. Building on this observation, we propose a two-stage framework for editing ViTs. First, we identify which attention heads are most responsible for incorrect predictions. Next, we selectively remove the corresponding features to correct the model's prediction. To further balance error correction with predictive stability on unrelated data, we learn a projection matrix that refines the image representations. Extensive experiments across multiple real-world datasets and model editing benchmarks demonstrate that our method consistently outperforms existing model editing methods for ViTs, achieving superior generalization and locality.
Neural Collapse is Globally Optimal in Deep Regularized ResNets and Transformers
The empirical emergence of neural collapse---a surprising symmetry in the feature representations of the training data in the penultimate layer of deep neural networks---has spurred a line of theoretical research aimed at its understanding. However, existing work focuses on data-agnostic models or, when data structure is taken into account, it remains limited to multi-layer perceptrons. Our paper fills both these gaps by analyzing modern architectures in data-aware regime: we prove that global optima of deep regularized transformers and residual networks (ResNets) with LayerNorm trained with cross entropy or mean squared error loss are approximately collapsed, and the approximation gets tighter as the depth grows. More generally, we formally reduce any end-to-end large-depth ResNet or transformer training into an equivalent unconstrained features model, thus justifying its wide use in the literature even beyond data-agnostic settings. Our theoretical results are supported by experiments on computer vision and language datasets showing that, as the depth grows, neural collapse indeed becomes more prominent.
Improving Generalization by Permutation Routing Across Model Copies
Kashiwamura, Shuhei, Leleu, Timothee
We introduce a use of the \(M\)-cover (or \(M\)-layer) transform for machine learning. The method replicates a model \(M\) times, but instead of coupling the copies through parameter averaging or an explicit attractive force, as in replicated SGD or Elastic SGD, it rewires the contexts in which local learning messages are computed. Each local loss is evaluated on a routed model whose parameters are drawn from different copies according to permutations sampled from a structured mixing kernel \(Q\). Training then uses the original local update rule, while the resulting learning messages are redistributed across the copies through these routed computational paths. Thus \(Q\) defines a topology for message transport and controls the long-loop structure of the lifted factor graph. We formulate this construction for perceptrons, committee machines, and multilayer perceptrons, showing that the same principle applies from discrete models to differentiable neural networks. The resulting framework provides a mechanism for improving generalization through structured message sharing rather than replica collapse or parameter-space coupling.
Stochastic Scaling Limits and Synchronization by Noise in Deep Transformer Models
Agazzi, Andrea, Bruno, Giuseppe, Garcรญa, Eloy Mosig, Saviozzi, Samuele, Romito, Marco
The transformer architecture [52], which underlies present-day Large Language Models, has been one of the main drivers of recent advances in machine learning and artificial intelligence. At each layer, the hidden state of the network is updated by sequentially applying two distinct operations: attention modules [3], which capture long-range interactions in the input sequence, and classical MultiLayer Perceptrons (MLPs), acting separately on each element of that sequence. Despite their empirical success, the mechanisms governing information propagation through depth, and the way attention and MLP blocks jointly shape internal representations, remain only partially understood from a theoretical viewpoint. Recent progress has come from viewing transformers in suitable scaling limits as deterministic mean-field interacting particle systems modeling the evolution of N tokens1 through the layers of the neural network architecture (the so-called residual stream dynamics), see, among others, [46, 26, 27, 45]. In these descriptions, depth plays the role of a continuous time variable, and, in the large-context regime (N), the evolution of token representations is encoded by a PDE for their empirical distribution. This viewpoint is closely connected to the literature on scaling laws, where the effect of various scaling exponents controlling the relative size of the network's hyperparameters (e.g., depth, width, context length) on the effective dynamics of the model
SAPE: Spatially-Adaptive Progressive Encoding for Neural Optimization
Multilayer-perceptrons (MLP) are known to struggle with learning functions of high-frequencies, and in particular cases with wide frequency bands. We present a spatially adaptive progressive encoding (SAPE) scheme for input signals of MLP networks, which enables them to better fit a wide range of frequencies without sacrificing training stability or requiring any domain specific preprocessing. SAPE gradually unmasks signal components with increasing frequencies as a function of time and space. The progressive exposure of frequencies is monitored by a feedback loop throughout the neural optimization process, allowing changes to propagate at different rates among local spatial portions of the signal space. We demonstrate the advantage of SAPE on a variety of domains and applications, including regression of low dimensional signals and images, representation learning of occupancy networks, and a geometric task of mesh transfer between 3D shapes.
Quantum Perceptron Models
Ashish Kapoor, Nathan Wiebe, Krysta Svore
We demonstrate how quantum computation can provide non-trivial improvements in the computational and statistical complexity of the perceptron model. We develop two quantum algorithms for perceptron learning. The first algorithm exploits quantum information processing to determine a separating hyperplane using a number of steps sublinear in the number of data points N, namely O( N). The second algorithm illustrates how the classical mistake bound of O( 1ฮณ2) can be further improved to O( 1 ฮณ) through quantum means, where ฮณ denotes the margin. Such improvements are achieved through the application of quantum amplitude amplification to the version space interpretation of the perceptron model.
Mistake Bounds for Binary Matrix Completion
Mark Herbster, Stephen Pasteris, Massimiliano Pontil
We study the problem of completing a binary matrix in an online learning setting. On each trial we predict a matrix entry and then receive the true entry. We propose a Matrix Exponentiated Gradient algorithm [1] to solve this problem. We provide a mistake bound for the algorithm, which scales with the margin complexity [2, 3] of the underlying matrix. The bound suggests an interpretation where each row of the matrix is a prediction task over a finite set of objects, the columns. Using this we show that the algorithm makes a number of mistakes which is comparable up to a logarithmic factor to the number of mistakes made by the Kernel Perceptron with an optimal kernel in hindsight. We discuss applications of the algorithm to predicting as well as the best biclustering and to the problem of predicting the labeling of a graph without knowing the graph in advance.
KANEL: Kolmogorov-Arnold Network Ensemble Learning Enables Early Hit Enrichment in High-Throughput Virtual Screening
Koptev, Pavel, Krainov, Nikita, Malkov, Konstantin, Tropsha, Alexander
Machine learning models of chemical bioactivity are increasingly used for prioritizing a small number of compounds in virtual screening libraries for experimental follow-up. In these applications, assessing model accuracy by early hit enrichment such as Positive Predicted Value (PPV) calculated for top N hits (PPV@N) is more appropriate and actionable than traditional global metrics such as AUC. We present KANEL, an ensemble workflow that combines interpretable Kolmogorov-Arnold Networks (KANs) with XGBoost, random forest, and multilayer perceptron models trained on complementary molecular representations (LillyMol descriptors, RDKit-derived descriptors, and Morgan fingerprints). Across five public PubChem BioAssay datasets (AIDs 485314, 485341, 504466, 624202, and 651820), Optuna-optimized weighted ensembles consistently outperformed the best single model in PPV@128 by 0.06-0.12
Fast Graph Sharpness-Aware Minimization for Enhancing and Accelerating Few-Shot Node Classification
Graph Neural Networks (GNNs) have shown superior performance in node classification. However, GNNs perform poorly in the Few-Shot Node Classification (FSNC) task that requires robust generalization to make accurate predictions for unseen classes with limited labels. To tackle the challenge, we propose the integration of Sharpness-Aware Minimization (SAM)--a technique designed to enhance model generalization by finding a flat minimum of the loss landscape--into GNN training. The standard SAM approach, however, consists of two forward-backward steps in each training iteration, doubling the computational cost compared to the base optimizer (e.g., Adam). To mitigate this drawback, we introduce a novel algorithm, Fast Graph Sharpness-Aware Minimization (FGSAM), that integrates the rapid training of Multi-Layer Perceptrons (MLPs) with the superior performance of GNNs. Specifically, we utilize GNNs for parameter perturbation while employing MLPs to minimize the perturbed loss so that we can find a flat minimum with good generalization more efficiently.