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Unsupervised Identification and Removal of Spurious Correlations During Fine-Tuning

arXiv.org Machine Learning

Fine-tuning a pretrained language model on a curated dataset can produce spurious correlations between the fine-tuning task and unintended latent factors -- such as misaligned personas or political slant -- that the curation procedure has entangled with the task. The model can latch onto these spurious correlations, leading to bias and reduced out-of-distribution generalisation. We prove that under reasonable assumptions on task complexity and the spurious correlation, such latent factors can be identified, without supervision, from the weights of a naive LoRA fine-tune. Existing approaches to removing bias, such as activation steering, remove identified factors from residual-stream activations, either at inference or during training. We argue, however, that the goal should be to remove the spurious correlation, not the latent factor itself, as the pretrained model may rely on it for genuine task signal. To enable this, we propose GRASP, GRadient projection of Associated Spurious Patterns, which prevents the model from acquiring new reliance on the identified latent factor while preserving any pretrained content along it. We validate on three fine-tuning tasks. The first two involve emergent misalignment, where fine-tuning on a narrow task -- in our case, writing insecure code and giving bad medical advice -- leads to misaligned responses on unrelated topics. Here our method completely removes misalignment in the insecure code case and reduces them by ~5x in the bad medical advice case, beating all baselines in the trade-off between misalignment-reduction and task-preservation. The last is a novel political-bias experiment, where fine-tuning on right-skewed Reddit financial-advice data causes political-lean drift on unrelated topics. Here our method reduces drift by more than half, while improving financial task performance, beating all baselines.


Symmetry-Compatible Principle for Optimizer Design: Embeddings, LM Heads, SwiGLU MLPs, and MoE Routers

arXiv.org Machine Learning

A striking geometric disparity has long persisted in the practice of deep learning. While modern neural network architectures naturally exhibit rich symmetry and equivariance properties, popular optimizers such as Adam and its variants operate inherently coordinate-wise, rendering them unable to respect the equivariance structures of the parameter space. We address this disparity by introducing a symmetry-compatible principle for optimizer design: the gradient update rule should be equivariant under the symmetry group acting on the corresponding weight block. Following this principle, we first provide a unified perspective on bi-orthogonally equivariant updates for general matrix layers, as employed by stochastic spectral descent, Muon, Scion, and polar gradient methods. More importantly, by moving from orthogonal groups to permutation and shared-shift symmetries, we derive symmetry-compatible optimizers for parameter blocks whose symmetries differ from those of general matrix layers: embedding and LM head matrices, SwiGLU MLP projections, and MoE router matrices. These constructions include one-sided spectral, row-norm, hybrid row-norm/spectral, row-aware, column-aware, centered row-norm, and left-spectral updates. They yield an end-to-end layerwise optimizer stack in which each major matrix-valued parameter class is assigned an update whose equivariance matches its symmetry group. We corroborate this principle through pre-training experiments on dense and sparse MoE language models, including Qwen3-0.6B-style, Gemma 3 1B-style, OLMoE-1B-7B-style, and downsized gpt-oss architectures. Across these experiments, symmetry-compatible update rules consistently improve final validation loss, reduce load imbalance in sparse MoE models, and in several cases improve training stability over the corresponding AdamW updates.


Learning Nonlinear Factor Models with Unknown Monotone Links from Incomplete and Noisy Data

arXiv.org Machine Learning

We study a nonlinear factor model in which observed responses depend on low-rank latent factors through an unknown monotone link function. This setting is challenging and largely underexplored due to severe nonconvexity and identifiability issues. The link function is assumed to lie in a reproducing kernel Hilbert space (RKHS), enabling flexible nonparametric modeling while preserving identifiability. We formulate the problem as the joint recovery of the low-rank factors, loadings, and the nonlinear link function from possibly incomplete and noisy observations and propose a projected block coordinate descent (BCD) algorithm with explicit regularization to address scale and rotational ambiguities. Under mild incoherence of factors and standard sampling conditions, we establish convergence guarantees in both noiseless and noisy regimes, along with sublinear regret bounds for the link-function updates. Our results extend classical linear factor models to a broad nonlinear regime and provide a principled framework for learning nonlinear latent structures. We evaluate the proposed approach using controlled synthetic experiments, indicating promising performance.


Multicalibration Boosting: Theory, Convergence, and Transferability

arXiv.org Machine Learning

Multicalibration extends classical calibration by requiring predictions to be unbiased over a rich collection of functions, encompassing both prediction slices and subpopulations. It has emerged as a powerful framework for fairness, robustness, and reliable prediction, yet the theoretical understanding of multicalibration boosting (MCBoost) remains fragmented and often relies on restrictive assumptions. In this work, we develop a unified and refined perspective on MCBoost that subsumes existing variants, including multiaccuracy, BatchGCP, and BatchMVP. We uncover several phenomena that provide new insights into its practical behavior: even highly accurate and flexible predictors can remain substantially miscalibrated; enforcing multicalibration introduces a calibration-risk trade-off; and early stopping plays a central role in controlling this trade-off. On the theoretical side, we establish a general framework for MCBoost under weaker and more realistic conditions. We show that the boosting iterates converge to a Bregman projection of the population-optimal predictor onto the cumulative span generated by the audit class, thereby explicitly characterizing the function space on which multicalibration is achieved. We further derive convergence rates under different smoothness assumptions, finite-sample guarantees, and principled stopping rules that ensure multicalibration at termination. Finally, we extend the theory of universal adaptability under covariate shift, providing more general transfer guarantees and clarifying when multicalibrated predictors generalize across domains. These results provide a more complete theoretical foundation and practical guidance for multicalibration boosting, positioning it as both a unifying framework and a reliable post-processing approach for modern predictive models.


Inference-Time Alignment of Diffusion Models via Trust-Region Iterative Twisted Sequential Monte Carlo

arXiv.org Machine Learning

We study inference-time alignment for diffusion-based generative models, aiming to steer a base model toward high-reward outputs without updating its weights. Recent Sequential Monte Carlo (SMC)-based steering methods approximate reward-tilted target distributions in a principled way, but their proposals remain largely tied to the base sampler. Since reward information is mainly used after propagation through particle reweighting and resampling, these methods can require large particle budgets and suffer from weight degeneracy and high-variance estimates. One way to reduce variance and improve particle efficiency is to iteratively learn twisting functions that provide look-ahead guidance, as in twisted SMC. However, existing learnable twisting methods are developed mainly for classical sequential inference and can be unstable when applied to diffusion-based alignment with high-dimensional state spaces and terminal, noisy, or black-box rewards. We propose Trust-Region Iterative Twisted Sequential Monte Carlo (TRI-TSMC), a trust-region framework for learning twisting functions in SMC-based inference-time alignment. Each iteration computes an exact KL-constrained update in path space, which admits a closed-form solution by tempered importance reweighting, and projects this target back to the parameterized twisted family by weighted maximum likelihood. Theoretically, we formalize the value-function interpretation of the optimal twisting function and show that it yields a zero-variance sampler. We prove that the trust-region update follows an escort path toward the target distribution, that the weighted maximum-likelihood update is a forward-KL projection, and that the path reduces residual importance-weight variance. Empirically, TRI-TSMC improves primary alignment objectives on discrete diffusion text generation and text-to-image generation under matched inference-time budgets.


Sliced-Regularized Optimal Transport

arXiv.org Machine Learning

We propose a new regularized optimal transport (OT) formulation, termed sliced-regularized optimal transport (SROT). Unlike entropic OT (EOT), which regularizes the transport plan toward an independent coupling, SROT regularizes it toward a smoothened sliced OT (SOT) plan. To the best of our knowledge, SROT is the first approach to leverage a version of SOT plan as a reference to improve classical OT. We provide a formal definition of SROT, derive its dual formulation, and provide a post-Bayesian interpretation of SROT. We then develop a Sinkhorn-style algorithm for efficient computation, retaining the same scalability advantages as EOT. By incorporating a scalable SOT plan as a prior, SROT yields more accurate approximations of the exact OT plan than EOT under the same level of regularization. Moreover, the resulting transport plan improves upon the reference SOT plan itself. We further introduce the corresponding OT divergence induced by SROT, named SROT divergence, and analyze its topological and computational properties. Finally, we validate our approach through experiments on synthetic datasets and color transfer tasks, demonstrating that SROT is better than both EOT and SOT in approximating exact OT. Additional experiments on gradient flows further highlight the advantages of SROT divergence.


Multi-Head Attention as Ensemble Nadaraya-Watson Estimation: Variance Reduction, Decorrelation, and Optimal Head Diversity

arXiv.org Machine Learning

We develop a rigorous statistical theory of multi-head attention (MHA) as an ensemble of Nadaraya-Watson (NW) kernel regression estimators. Building on the algebraic identity between single-head softmax attention and the NW estimator, we prove that MHA is a structured ensemble of H NW estimators, each operating in a distinct learned projection subspace of the key space. We derive an explicit Bias-Variance-Covariance decomposition of the MHA mean squared error, showing that variance reduction depends not merely on the number of heads H but fundamentally on the decorrelation of head outputs. Decorrelation is governed by the principal angles between learned projection subspaces: orthogonal projections yield maximum variance reduction; aligned projections yield none. We introduce the Head Diversity Index (HDI), a computable spectral measure of inter-head decorrelation, and prove that MHA mean squared error is monotonically decreasing in HDI. This provides the first rigorous theoretical explanation for the empirically observed specialization of attention heads. Under a fixed total-dimension budget D = H * d_k, we solve the optimal head-dimension allocation problem, deriving the MSE-minimizing pair (H*, d_k*) from data distribution and regression smoothness. The solution yields a new architectural scaling law: the optimal per-head dimension grows logarithmically with training set size, while the optimal number of heads grows nearly linearly with the total budget D. Our framework unifies three strands of prior work: the NW theory of single-head attention, the general weighting theory for ensemble learning, and the decorrelation-variance-reduction isomorphism between biological and computational ensembles. Multi-head attention is the Transformer's instantiation of a universal principle: identical agents plus diversity-enforcing mechanisms yields emergent optimality.


Axiomatizing Neural Networks via Pursuit of Subspaces

arXiv.org Machine Learning

While deep neural networks have achieved remarkable success across a wide range of domains, their underlying mechanisms remain poorly understood, and they are often regarded as black boxes. This gap between empirical performance and theoretical understanding poses a challenge analogous to the pre-axiomatic stage of classical geometry. In this work, we introduce the Pursuit of Subspaces (PoS) hypothesis, an axiomatic framework that formulates neural network behavior through a set of geometric postulates. These axioms, together with their derived consequences, provide a unified perspective on representation, computation, and generalization in both shallow and deep architectures. We show that this framework yields geometric explanations for fundamental questions in deep learning, including representation structure, architectural mechanisms, and generalization behavior, offering a principled step toward a coherent theoretical foundation.


Improved Guarantees for Constrained Online Convex Optimization via Self-Contraction

arXiv.org Machine Learning

We consider Constrained Online Convex Optimization (COCO) with adversarially chosen constraints. At each round, the learner chooses an action before observing the loss and constraint function for that round. The goal is to achieve small static regret against the best point satisfying all constraints while also controlling cumulative constraint violation ($\mathsf{CCV}$). For strongly convex losses, state-of-the-art algorithms achieve $O(\log T)$ regret and $O(\sqrt{T \log T})$ $\mathsf{CCV}.$ The corresponding best-known bounds for convex losses is $O(\sqrt{T})$ regret and $O(\sqrt{T} \log T)$ $\mathsf{CCV}$. In this paper, we give a simple projection-based algorithm that simultaneously achieves $O(\log T)$ regret and $O(\log T)$ $\mathsf{CCV}$ for strongly-convex losses, yielding an exponential improvement in the $\mathsf{CCV}$. For the convex losses, our algorithm improves the $\mathsf{CCV}$ to $O(\sqrt{T})$ while maintaining the optimal $O(\sqrt{T})$ regret. The key to our improvement is a recent geometric result for self-contracted curves, which may be of independent interest.


How does feature learning reshape the function space?

arXiv.org Machine Learning

Feature learning is widely regarded as the key mechanism distinguishing neural networks from fixed-kernel methods, yet its impact on the induced function space remains poorly understood. In this work, we precisely characterize how the function space spanned by the features of a two-layer neural network evolves during gradient descent training. We prove that, in the high-dimensional proportional regime, after a large gradient step the post-update feature distribution is well approximated by a target-dependent spiked Gaussian covariance. This induces a data-adaptive kernel that reshapes the function space and modifies its spectral structure. Our analysis reveals that feature learning can be interpreted as a distributional transformation in either parameter space or input space, equivalently as the introduction of a target-dependent kernel. In particular, it selectively amplifies eigenvalues aligned with the target direction and mixes leading eigenfunctions, coupling the top radial mode with a target-aligned quadratic harmonic. Overall, our results provide a precise function-space perspective on early-stage feature learning: rather than just rescaling a fixed kernel, gradient descent induces a data-adaptive deformation that preferentially enhances directions aligned with the signal in the data.