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From Shortcut to Induction Head: How Data Diversity Shapes Algorithm Selection in Transformers

arXiv.org Machine Learning

Transformers can implement both generalizable algorithms (e.g., induction heads) and simple positional shortcuts (e.g., memorizing fixed output positions). In this work, we study how the choice of pretraining data distribution steers a shallow transformer toward one behavior or the other. Focusing on a minimal trigger-output prediction task -- copying the token immediately following a special trigger upon its second occurrence -- we present a rigorous analysis of gradient-based training of a single-layer transformer. In both the infinite and finite sample regimes, we prove a transition in the learned mechanism: if input sequences exhibit sufficient diversity, measured by a low ``max-sum'' ratio of trigger-to-trigger distances, the trained model implements an induction head and generalizes to unseen contexts; by contrast, when this ratio is large, the model resorts to a positional shortcut and fails to generalize out-of-distribution (OOD). We also reveal a trade-off between the pretraining context length and OOD generalization, and derive the optimal pretraining distribution that minimizes computational cost per sample. Finally, we validate our theoretical predictions with controlled synthetic experiments, demonstrating that broadening context distributions robustly induces induction heads and enables OOD generalization. Our results shed light on the algorithmic biases of pretrained transformers and offer conceptual guidelines for data-driven control of their learned behaviors.


Secret mixtures of experts inside your LLM

arXiv.org Machine Learning

Despite being one of the earliest neural network layers, the Multilayer Perceptron (MLP) is arguably one of the least understood parts of the transformer architecture due to its dense computation and lack of easy visualization. This paper seeks to understand the MLP layers in dense LLM models by hypothesizing that these layers secretly approximately perform a sparse computation -- namely, that they can be well approximated by sparsely-activating Mixture of Experts (MoE) layers. Our hypothesis is based on a novel theoretical connection between MoE models and Sparse Autoencoder (SAE) structure in activation space. We empirically validate the hypothesis on pretrained LLMs, and demonstrate that the activation distribution matters -- these results do not hold for Gaussian data, but rather rely crucially on structure in the distribution of neural network activations. Our results shine light on a general principle at play in MLP layers inside LLMs, and give an explanation for the effectiveness of modern MoE-based transformers. Additionally, our experimental explorations suggest new directions for more efficient MoE architecture design based on low-rank routers.


Why Most Optimism Bandit Algorithms Have the Same Regret Analysis: A Simple Unifying Theorem

arXiv.org Machine Learning

Several optimism-based stochastic bandit algorithms -- including UCB, UCB-V, linear UCB, and finite-arm GP-UCB -- achieve logarithmic regret using proofs that, despite superficial differences, follow essentially the same structure. This note isolates the minimal ingredients behind these analyses: a single high-probability concentration condition on the estimators, after which logarithmic regret follows from two short deterministic lemmas describing radius collapse and optimism-forced deviations. The framework yields unified, near-minimal proofs for these classical algorithms and extends naturally to many contemporary bandit variants.


The Challenger: When Do New Data Sources Justify Switching Machine Learning Models?

arXiv.org Machine Learning

We study the problem of deciding whether, and when an organization should replace a trained incumbent model with a challenger relying on newly available features. We develop a unified economic and statistical framework that links learning-curve dynamics, data-acquisition and retraining costs, and discounting of future gains. First, we characterize the optimal switching time in stylized settings and derive closed-form expressions that quantify how horizon length, learning-curve curvature, and cost differentials shape the optimal decision. Second, we propose three practical algorithms--a one-shot baseline, a greedy sequential method, and a look-ahead sequential method. Using a real-world credit-scoring dataset with gradually arriving alternative data, we show that (i) optimal switching times vary systematically with cost parameters and learning-curve behavior, and (ii) the look-ahead sequential method outperforms other methods and is able to approach in value an oracle with full foresight. Finally, we establish finite-sample guarantees, including conditions under which the sequential look-ahead method achieve sublinear regret relative to that oracle. Our results provide an operational blueprint for economically sound model transitions as new data sources become available.


Central Limit Theorem for ergodic averages of Markov chains \& the comparison of sampling algorithms for heavy-tailed distributions

arXiv.org Machine Learning

Establishing central limit theorems (CLTs) for ergodic averages of Markov chains is a fundamental problem in probability and its applications. Since the seminal work~\cite{MR834478}, a vast literature has emerged on the sufficient conditions for such CLTs. To counterbalance this, the present paper provides verifiable necessary conditions for CLTs of ergodic averages of Markov chains on general state spaces. Our theory is based on drift conditions, which also yield lower bounds on the rates of convergence to stationarity in various metrics. The validity of the ergodic CLT is of particular importance for sampling algorithms, where it underpins the error analysis of estimators in Bayesian statistics and machine learning. Although heavy-tailed sampling is of central importance in applications, the characterisation of the CLT and the convergence rates are theoretically poorly understood for almost all practically-used Markov chain Monte Carlo (MCMC) algorithms. In this setting our results provide sharp conditions on the validity of the ergodic CLT and establish convergence rates for large families of MCMC sampling algorithms for heavy-tailed targets. Our study includes a rather complete analyses for random walk Metropolis samplers (with finite- and infinite-variance proposals), Metropolis-adjusted and unadjusted Langevin algorithms and the stereographic projection sampler (as well as the independence sampler). By providing these sharp results via our practical drift conditions, our theory offers significant insights into the problems of algorithm selection and comparison for sampling heavy-tailed distributions (see short YouTube presentations~\cite{YouTube_talk} describing our \href{https://youtu.be/m2y7U4cEqy4}{\underline{theory}} and \href{https://youtu.be/w8I_oOweuko}{\underline{applications}}).


TraCeR: Transformer-Based Competing Risk Analysis with Longitudinal Covariates

arXiv.org Machine Learning

Survival analysis is a critical tool for modeling time-to-event data. Recent deep learning-based models have reduced various modeling assumptions including proportional hazard and linearity. However, a persistent challenge remains in incorporating longitudinal covariates, with prior work largely focusing on cross-sectional features, and in assessing calibration of these models, with research primarily focusing on discrimination during evaluation. We introduce TraCeR, a transformer-based survival analysis framework for incorporating longitudinal covariates. Based on a factorized self-attention architecture, TraCeR estimates the hazard function from a sequence of measurements, naturally capturing temporal covariate interactions without assumptions about the underlying data-generating process. The framework is inherently designed to handle censored data and competing events. Experiments on multiple real-world datasets demonstrate that TraCeR achieves substantial and statistically significant performance improvements over state-of-the-art methods. Furthermore, our evaluation extends beyond discrimination metrics and assesses model calibration, addressing a key oversight in literature.


Generative modeling of conditional probability distributions on the level-sets of collective variables

arXiv.org Machine Learning

Given a probability distribution $ฮผ$ in $\mathbb{R}^d$ represented by data, we study in this paper the generative modeling of its conditional probability distributions on the level-sets of a collective variable $ฮพ: \mathbb{R}^d \rightarrow \mathbb{R}^k$, where $1 \le k


Disentangled representations via score-based variational autoencoders

arXiv.org Machine Learning

We present the Score-based Autoencoder for Multiscale Inference (SAMI), a method for unsupervised representation learning that combines the theoretical frameworks of diffusion models and VAEs. By unifying their respective evidence lower bounds, SAMI formulates a principled objective that learns representations through score-based guidance of the underlying diffusion process. The resulting representations automatically capture meaningful structure in the data: it recovers ground truth generative factors in our synthetic dataset, learns factorized, semantic latent dimensions from complex natural images, and encodes video sequences into latent trajectories that are straighter than those of alternative encoders, despite training exclusively on static images. Furthermore, SAMI can extract useful representations from pre-trained diffusion models with minimal additional training. Finally, the explicitly probabilistic formulation provides new ways to identify semantically meaningful axes in the absence of supervised labels, and its mathematical exactness allows us to make formal statements about the nature of the learned representation. Overall, these results indicate that implicit structural information in diffusion models can be made explicit and interpretable through synergistic combination with a variational autoencoder.


Prospects for quantum advantage in machine learning from the representability of functions

arXiv.org Machine Learning

Quantum machine learning (QML) is recognized as a promising approach to harness quantum computing for learning tasks [1-3]. As with all quantum algorithms, a central question is whether QML holds potential for quantum advantage [4-7] over classical computing. The counter-narrative to quantum advantage is dequantization, where upon close inspection certain quantum algorithms yield no benefit over classical counterparts, as one can classically solve the task at hand. Dequantization of quantum algorithms for machine learning, in particular, has seen a surge of interest in recent years, leaving few claims of quantum advantage unchallenged [8-12]. While QML models for classical data can be studied from several perspectives, significant theoretical developments have emerged from investigating the function families that parametrized quantum circuits (PQCs) can give rise to [8, 10, 13-16]. Characterizing the functional forms arising from PQCs allows us to delineate the boundaries of quantum learning and guide the search for advantage.


Universality of high-dimensional scaling limits of stochastic gradient descent

arXiv.org Machine Learning

We consider statistical tasks in high dimensions whose loss depends on the data only through its projection into a fixed-dimensional subspace spanned by the parameter vectors and certain ground truth vectors. This includes classifying mixture distributions with cross-entropy loss with one and two-layer networks, and learning single and multi-index models with one and two-layer networks. When the data is drawn from an isotropic Gaussian mixture distribution, it is known that the evolution of a finite family of summary statistics under stochastic gradient descent converges to an autonomous ordinary differential equation (ODE), as the dimension and sample size go to $\infty$ and the step size goes to $0$ commensurately. Our main result is that these ODE limits are universal in that this limit is the same whenever the data is drawn from mixtures of arbitrary product distributions whose first two moments match the corresponding Gaussian distribution, provided the initialization and ground truth vectors are coordinate-delocalized. We complement this by proving two corresponding non-universality results. We provide a simple example where the ODE limits are non-universal if the initialization is coordinate aligned. We also show that the stochastic differential equation limits arising as fluctuations of the summary statistics around their ODE's fixed points are not universal.