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 Deep Learning


Do Deep Networks Forget Initialization? A Forgetting-Time View of Practical Inductive Bias

arXiv.org Machine Learning

Randomly initialized neural networks induce a prior over functions, but the predictor used in practice is produced only after training. We ask how much of this initial bias survives the training pipeline. To make the question measurable, we introduce initialization memory: the dependence of the validation-selected predictor on the scale of the random initialization. We perform controlled CIFAR-10 experiments on ResNets where initialization memory already sharply separates training regimes. Low-learning-rate SGD can interpolate while still remembering its initialization: on ResNet-9 with batch size $b=128$, test accuracy varies by $26.5$ percentage points across initialization scales despite $\ge99.5\%$ training accuracy. This is not undertraining: extending the same low-learning-rate regime to $5{,}000$ epochs leaves the spread essentially unchanged. In contrast, Adam-family methods largely erase the dependence. SGD can also be made to forget when larger learning rates are paired with explicit $L_2$ norm control. We interpret these findings in terms of the time scale of forgetting: gradient-flow-like dynamics can preserve initialization memory, whereas stochastic finite-step effects, explicit norm decay, and adaptive preconditioning erase it on scales governed by the size of explicit or implicit regularization. The practical inductive bias of a trained network is therefore not the architectural prior alone, but the architectural prior after being filtered by the forgetting dynamics of the training pipeline; and the same regularizers that improve generalization are precisely those that erase memory of initialization.


Constructing efficient channels for ideal observers using the conjugate gradient method

arXiv.org Machine Learning

Purpose: Task-based assessment of image quality (IQ) is critically important for the design and optimization of medical imaging systems. Ideal observers, including the Bayesian Ideal Observer (IO) and the ideal linear observer, i.e., the Hotelling observer (HO), provide objective figures of merit (FOMs) that quantify system performance on signal detection tasks. However, the application of ideal observers to high-dimensional image data is often computationally intractable. Channel mechanisms provide an effective framework for dimensionality reduction that can facilitate the computation of ideal observers. This work presents a conjugate gradient (CG)-based method to construct efficient channels for approximating the IO and HO performance.


Deep Optimal Individualized Treatment Rules for Bivariate Survival Outcomes via Adaptive Prediction-Powered Learning

arXiv.org Machine Learning

In randomized trials involving multiple treatments, bivariate survival outcomes present significant analytical challenges for making decisions. This paper addresses the problem of deriving optimal individualized treatment rules to maximize the joint survival probability beyond fixed time points $(t_1, t_2)$ through deep neural networks, while accounting for right censoring. We propose a novel approach that models treatment rules via stochastic policies, coupling marginal accelerated failure time models via link function to capture bivariate dependence. To enhance robustness and effectiveness of decision making, we introduce an adaptive prediction-powered method that leverages auxiliary predictions from machine learning models.


Kernel Renormalization in Bayesian Deep Neural Networks: the Equivalent Wishart Ansatz in the Proportional Regime

arXiv.org Machine Learning

The scaling limit where both the size of the training set $P$ and the width $N$ of a deep neural network grow at the same rate, the so-called proportional-width regime, has been intensely studied for shallow, single-hidden-layer networks. However, extending these non-perturbative results from shallow architectures to deep non-linear networks has proven very challenging. Here we present an effective approximate approach to predict the generalization performance of Bayesian multi-layer perceptrons (MLPs) of fixed depth $L$ on arbitrary high-dimensional data. We propose an equivalent Wishart Ansatz to capture the dominant stochastic fluctuations of the hierarchical empirical kernels of MLPs. This allows us to perform a large deviation analysis for the partition function of MLPs in the proportional limit, expressed in terms of a renormalized NNGP kernel. In this description, even strong representation learning in the proportional limit is encoded in at most $L$ scalar order parameters, determined self-consistently. Extending the approach to convolutional architectures (CNNs), we identify a hierarchical local kernel renormalization mechanism, which allows to quantify more complex data-dependent transformations of the large-width kernel in CNNs due to finite-width effects. We test our effective theory against sampling experiments from the Bayesian posterior of finite deep neural networks with depths $L \sim O(10)$ and $P\sim O(10^3)$ on classic benchmark datasets, finding overall very good agreement together with two distinct types of systematic deviations.


Open Problem: Separating Geometric and Algorithmic Compression via Cayley-Table Completion

arXiv.org Machine Learning

Modern statistical learning theory and deep learning characterize generalization primarily in terms of continuous capacity control (e.g., norm-based regularization, margin maximization, low-rank bias). While highly successful in continuous domains, deep learning consistently fails to extrapolate exact algorithmic or discrete algebraic rules, reflecting a missing inductive bias toward algorithmic complexity minimization. We propose the Cayley-table completion as the canonical testbed for this missing bias, serving as the discrete algebraic counterpart to matrix completion. Just as matrix factorization combined with weight decay yields an implicit geometric bias toward low linear rank, recent results demonstrate that operator-valued tensor factorizations paired with a flatness prior yield an implicit algorithmic bias toward exact discrete associativity. We pose the open problem of establishing formal exact recovery bounds for Cayley-table completion, and challenge the community to generalize continuous flatness priors to autonomously discover broader discrete algorithmic axioms without combinatorial search.


CB-SLICE: Concept-Based Interpretable Error Slice Discovery

arXiv.org Machine Learning

Despite strong average-case performance, deep learning models often exhibit systematic errors on specific population groups, known as error slices. Identifying these groups and the root causes of their failures is critical for model debugging and bias mitigation. However, existing error Slice Discovery Methods (SDMs) typically generate explanations disconnected from the model's inference process, thus only approximating the underlying error source and may be inaccurate. We address this limitation by leveraging Concept Bottleneck Models (CBMs), whose predictions are directly dependent on human-understandable semantic concepts. Since downstream task failures in CBMs commonly arise from concept mispredictions, concept representations provide a strong candidate for error slice identification, offering fine-grained explanations directly linked to the error source. Building on this insight, we introduce CB-SLICE, a concept-based SDM that groups samples with shared concept prediction failures and identifies the keyword concepts most responsible for each slice's failure mode. Across multiple benchmarks, we show that CB-SLICE outperforms state-of-the-art methods in uncovering well-known biases while providing richer and more faithful explanations of model errors.


Learning to Extrapolate to New Tasks: A Relational Approach to Task Extrapolation

arXiv.org Machine Learning

Modern learning systems excel at interpolation but struggle to generalize to unseen tasks outside the training distribution's support. This failure occurs even in simple settings, such as handling task parameters beyond the training range, and persists despite advances in foundation models. To this end, we develop the Relational Task Extrapolator (RTE), an algorithm designed to enable systematic extrapolation to novel tasks. The key observation is that extrapolation is inherently relational: extrapolating to unseen tasks requires learning how tasks transform into one another. If a model learns the transformation between tasks A and B during training, it can apply that same transformation to relate known tasks to unseen ones at test time. RTE operationalizes this idea by decomposing each target task into a known anchor task and a transformation linking the anchor and target. It then learns a relational operator, mapping an anchor-transformation pair to predictions for the target task. We instantiate RTE across multiple task extrapolation regimes in function prediction, e.g. where target tasks use out-of-range parameters (parameter extrapolation), have greater compositional depth (length extrapolation), and/or recombine function primitives in unseen ways (compositional extrapolation). We further extend RTE to sequence prediction, integrating it into fine-tuning algorithms for foundation models. Across empirical studies, we find that RTE substantially outperforms existing approaches on extrapolation to novel, unseen tasks.


Visual Spatial Learning: Single-Field Spatial Interpolation Using Convolutional Neural Networks

arXiv.org Machine Learning

Predicting a complete spatially correlated field from sparse observations is a fundamental challenge in spatial statistics and environmental modelling. Classical interpolation methods such as Kriging rely on Gaussian process assumptions and variography, which can limit their effectiveness in non-stationary settings and require substantial domain expertise. In this work, we leverage an architecture based on convolutional neural networks (CNNs) for spatial interpolation that is trained and applied on a single partially observed field, without access to external data or prior fields. The model is supervised directly on the observed locations and learns to predict values at unobserved points on the user defined grid. Unlike Kriging, our method does not require explicit covariance modelling or variogram estimation, and it can flexibly capture local spatial patterns in a data-driven manner. This work demonstrates the potential of CNNs for single-instance spatial interpolation under sparse supervision, offering a practical alternative to classical geostatistical methods, and extending the use of CNNs to a new problem domain.


CalArena: A Large-Scale Post-Hoc Calibration Benchmark

arXiv.org Machine Learning

Reliable probability estimates are critical in many machine learning applications, yet modern classifiers are often poorly calibrated. Post-hoc calibration provides a simple and widely used solution, but the large number of proposed methods, combined with small-scale and inconsistent evaluations, makes it difficult to determine which approaches are truly effective in practice. We introduce a large-scale, standardized benchmark for post-hoc calibration, covering nearly 2000 experiments across tabular and computer vision tasks, including binary, multiclass, and large-scale classification settings. Our benchmark aggregates predictions from a diverse set of classical models, modern deep learning architectures, and foundation models, and provides unified, reproducible implementations of dozens of calibration methods within a common evaluation framework. We argue that Post-Hoc Improvement (PHI) in proper scoring rules offers a principled alternative to traditional calibration error estimators for comparing post-hoc methods, capturing both calibration quality and potential degradation to the model's predictive performance. Using this framework, we conduct the most comprehensive empirical study of post-hoc calibration to date. Our results reveal consistent patterns across domains: smooth calibration functions outperform binning-based approaches, dedicated multiclass methods are essential in high-dimensional settings, and generic machine learning models are not competitive without calibration-specific design. To facilitate future research, we release all data, code, and evaluation tools, providing a plug-and-play benchmark for developing and comparing calibration methods.


Statistical Embeddings for Similarity, Retrieval, and Interpretable Alignment of Numeric Tabular Datasets

arXiv.org Machine Learning

Numeric tabular datasets are the dominant data format in scientific practice, yet large language models lack native mechanisms for representing numeric datasets in a meaningful way across heterogeneous feature spaces. Existing approaches either target predictive modeling over individual datasets, which requires a shared set of variable definitions, or lack mechanisms for interpretable cross-dataset alignment. The proposed methodology characterizes numeric tabular datasets through structured exploratory data analysis descriptors, embeds those descriptors into a shared vector space using a pretrained sentence transformer, and quantifies cross-dataset similarity via Canonical Correlation Analysis (CCA). Furthermore, a penalized formulation of CCA is applied to recover sparse, interpretable variable-level correspondences between datasets, identifying which statistical descriptors or variable-level quantities drive cross-dataset alignment without requiring shared variable names or feature conventions. Differential privacy is optionally applied to the descriptor set prior to embedding, supporting deployment in sensitive data contexts without requiring access to raw observations at time of comparison. The methodology is evaluated across 15 datasets spanning general-purpose benchmarks, materials informatics, and nuclear-grade graphite characterization. Results demonstrate a total P@1 score of 0.9, with known nearest-neighbor retrieval and cluster structure remaining robust across embedding ablations and differential privacy budgets. The proposed framework provides a principled pathway for integrating heterogeneous numeric data into retrieval-augmented generation pipelines while preserving statistical context, with direct applications to data-driven algorithm selection and simulation model initialization for unknown datasets.