Deep Learning
Persistence-based topological optimization: a survey
Carriere, Mathieu, Ike, Yuichi, Lacombe, Théo, Nishikawa, Naoki
Computational topology provides a tool, persistent homology, to extract quantitative descriptors from structured objects (images, graphs, point clouds, etc). These descriptors can then be involved in optimization problems, typically as a way to incorporate topological priors or to regularize machine learning models. This is usually achieved by minimizing adequate, topologically-informed losses based on these descriptors, which, in turn, naturally raises theoretical and practical questions about the possibility of optimizing such loss functions using gradient-based algorithms. This has been an active research field in the topological data analysis community over the last decade, and various techniques have been developed to enable optimization of persistence-based loss functions with gradient descent schemes. This survey presents the current state of this field, covering its theoretical foundations, the algorithmic aspects, and showcasing practical uses in several applications. It includes a detailed introduction to persistence theory and, as such, aims at being accessible to mathematicians and data scientists newcomers to the field. It is accompanied by an open-source library which implements the different approaches covered in this survey, providing a convenient playground for researchers to get familiar with the field.
Residual-as-Teacher: Mitigating Bias Propagation in Student--Teacher Estimation
Yamamoto, Kakei, Wainwright, Martin J.
We study statistical estimation in a student--teacher setting, where predictions from a pre-trained teacher are used to guide a student model. A standard approach is to train the student to directly match the teacher's outputs, which we refer to as student soft matching (SM). This approach directly propagates any systematic bias or mis-specification present in the teacher, thereby degrading the student's predictions. We propose and analyze an alternative scheme, known as residual-as-teacher (RaT), in which the teacher is used to estimate residuals in the student's predictions. Our analysis shows how the student can thereby emulate a proximal gradient scheme for solving an oracle optimization problem, and this provably reduces the effect of teacher bias. For general student--teacher pairs, we establish non-asymptotic excess risk bounds for any RaT fixed point, along with convergence guarantees for the student-teacher iterative scheme. For kernel-based student--teacher pairs, we prove a sharp separation: the RaT method achieves the minimax-optimal rate, while the SM method incurs constant prediction error for any sample size. Experiments on both synthetic data and ImageNette classification under covariate shift corroborate our theoretical findings.
Vision Hopfield Memory Networks
Wang, Jianfeng, M'Charrak, Amine, Koska, Luk, Wang, Xiangtao, Petriceanu, Daniel, Smyrnov, Mykyta, Wang, Ruizhi, Bumbar, Michael, Pinchetti, Luca, Lukasiewicz, Thomas
Recent vision and multimodal foundation backbones, such as Transformer families and state-space models like Mamba, have achieved remarkable progress, enabling unified modeling across images, text, and beyond. Despite their empirical success, these architectures remain far from the computational principles of the human brain, often demanding enormous amounts of training data while offering limited interpretability. In this work, we propose the Vision Hopfield Memory Network (V-HMN), a brain-inspired foundation backbone that integrates hierarchical memory mechanisms with iterative refinement updates. Specifically, V-HMN incorporates local Hopfield modules that provide associative memory dynamics at the image patch level, global Hopfield modules that function as episodic memory for contextual modulation, and a predictive-coding-inspired refinement rule for iterative error correction. By organizing these memory-based modules hierarchically, V-HMN captures both local and global dynamics in a unified framework. Memory retrieval exposes the relationship between inputs and stored patterns, making decisions more interpretable, while the reuse of stored patterns improves data efficiency. This brain-inspired design therefore enhances interpretability and data efficiency beyond existing self-attention- or state-space-based approaches. We conducted extensive experiments on public computer vision benchmarks, and V-HMN achieved competitive results against widely adopted backbone architectures, while offering better interpretability, higher data efficiency, and stronger biological plausibility. These findings highlight the potential of V-HMN to serve as a next-generation vision foundation model, while also providing a generalizable blueprint for multimodal backbones in domains such as text and audio, thereby bridging brain-inspired computation with large-scale machine learning.
Discrete Causal Representation Learning
Zhang, Wenjin, Wang, Yixin, Gu, Yuqi
Causal representation learning seeks to uncover causal relationships among high-level latent variables from low-level, entangled, and noisy observations. Existing approaches often either rely on deep neural networks, which lack interpretability and formal guarantees, or impose restrictive assumptions like linearity, continuous-only observations, and strong structural priors. These limitations particularly challenge applications with a large number of discrete latent variables and mixed-type observations. To address these challenges, we propose discrete causal representation learning (DCRL), a generative framework that models a directed acyclic graph among discrete latent variables, along with a sparse bipartite graph linking latent and observed layers. This design accommodates continuous, count, and binary responses through flexible measurement models while maintaining interpretability. Under mild conditions, we prove that both the bipartite measurement graph and the latent causal graph are identifiable from the observed data distribution alone. We further propose a three-stage estimate-resample-discovery pipeline: penalized estimation of the generative model parameters, resampling of latent configurations from the fitted model, and score-based causal discovery on the resampled latents. We establish the consistency of this procedure, ensuring reliable recovery of the latent causal structure. Empirical studies on educational assessment and synthetic image data demonstrate that DCRL recovers sparse and interpretable latent causal structures.
Improving Infinitely Deep Bayesian Neural Networks with Nesterov's Accelerated Gradient Method
As a representative continuous-depth neural network approach, stochastic differential equation (SDE)-based Bayesian neural networks (BNNs) have attracted considerable attention due to their solid theoretical foundations and strong potential for real-world applications. However, their reliance on numerical SDE solvers inevitably incurs a large number of function evaluations (NFEs), resulting in high computational cost and occasional convergence instability. To address these challenges, we propose a Nesterov-accelerated gradient (NAG) enhanced SDE-BNN model. By integrating NAG into the SDE-BNN framework along with an NFE-dependent residual skip connection, our method accelerates convergence and substantially reduces NFEs during both training and testing. Extensive empirical results show that our model consistently outperforms conventional SDE-BNNs across various tasks, including image classification and sequence modeling, achieving lower NFEs and improved predictive accuracy.
A Distribution-to-Distribution Neural Probabilistic Forecasting Framework for Dynamical Systems
Yang, Tianlin, Du, Hailiang, Aslett, Louis
Probabilistic forecasting provides a principled framework for uncertainty quantification in dynamical systems by representing predictions as probability distributions rather than deterministic trajectories. However, existing forecasting approaches, whether physics-based or neural-network-based, remain fundamentally trajectory-oriented: predictive distributions are usually accessed through ensembles or sampling, rather than evolved directly as dynamical objects. A distribution-to-distribution (D2D) neural probabilistic forecasting framework is developed to operate directly on predictive distributions. The framework introduces a distributional encoding and decoding structure around a replaceable neural forecasting module, using kernel mean embeddings to represent input distributions and mixture density networks to parameterise output predictive distributions. This design enables recursive propagation of predictive uncertainty within a unified end-to-end neural architecture, with model training and evaluation carried out directly in terms of probabilistic forecast skill. The framework is demonstrated on the Lorenz63 chaotic dynamical system. Results show that the D2D model captures nontrivial distributional evolution under nonlinear dynamics, produces skillful probabilistic forecasts without explicit ensemble simulation, and remains competitive with, and in some cases outperforms, a simplified perfect model benchmark. These findings point to a new paradigm for probabilistic forecasting, in which predictive distributions are learned and evolved directly rather than reconstructed indirectly through ensemble-based uncertainty propagation.
On the Use of Bagging for Local Intrinsic Dimensionality Estimation
Péter, Kristóf, Campello, Ricardo J. G. B., Bailey, James, Houle, Michael E.
The theory of Local Intrinsic Dimensionality (LID) has become a valuable tool for characterizing local complexity within and across data manifolds, supporting a range of data mining and machine learning tasks. Accurate LID estimation requires samples drawn from small neighborhoods around each query to avoid biases from nonlocal effects and potential manifold mixing, yet limited data within such neighborhoods tends to cause high estimation variance. As a variance reduction strategy, we propose an ensemble approach that uses subbagging to preserve the local distribution of nearest neighbor (NN) distances. The main challenge is that the uniform reduction in total sample size within each subsample increases the proximity threshold for finding a fixed number k of NNs around the query. As a result, in the specific context of LID estimation, the sampling rate has an additional, complex interplay with the neighborhood size, where both combined determine the sample size as well as the locality and resolution considered for estimation. We analyze both theoretically and experimentally how the choice of the sampling rate and the k-NN size used for LID estimation, alongside the ensemble size, affects performance, enabling informed prior selection of these hyper-parameters depending on application-based preferences. Our results indicate that within broad and well-characterized regions of the hyper-parameters space, using a bagged estimator will most often significantly reduce variance as well as the mean squared error when compared to the corresponding non-bagged baseline, with controllable impact on bias. We additionally propose and evaluate different ways of combining bagging with neighborhood smoothing for substantial further improvements on LID estimation performance.
Beyond Consistency: Inference for the Relative risk functional in Deep Nonparametric Cox Models
Ghosal, Sattwik, Meng, Xuran, Li, Yi
There remain theoretical gaps in deep neural network estimators for the nonparametric Cox proportional hazards model. In particular, it is unclear how gradient-based optimization error propagates to population risk under partial likelihood, how pointwise bias can be controlled to permit valid inference, and how ensemble-based uncertainty quantification behaves under realistic variance decay regimes. We develop an asymptotic distribution theory for deep Cox estimators that addresses these issues. First, we establish nonasymptotic oracle inequalities for general trained networks that link in-sample optimization error to population risk without requiring the exact empirical risk optimizer. We then construct a structured neural parameterization that achieves infinity-norm approximation rates compatible with the oracle bound, yielding control of the pointwise bias. Under these conditions and using the Hajek--Hoeffding projection, we prove pointwise and multivariate asymptotic normality for subsampled ensemble estimators. We derive a range of subsample sizes that balances bias correction with the requirement that the Hajek--Hoeffding projection remain dominant. This range accommodates decay conditions on the single-overlap covariance, which measures how strongly a single shared observation influences the estimator, and is weaker than those imposed in the subsampling literature. An infinitesimal jackknife representation provides analytic covariance estimation and valid Wald-type inference for relative risk contrasts such as log-hazard ratios. Finally, we illustrate the finite-sample implications of the theory through simulations and a real data application.
Polynomial Speedup in Diffusion Models with the Multilevel Euler-Maruyama Method
We introduce the Multilevel Euler-Maruyama (ML-EM) method compute solutions of SDEs and ODEs using a range of approximators $f^1,\dots,f^k$ to the drift $f$ with increasing accuracy and computational cost, only requiring a few evaluations of the most accurate $f^k$ and many evaluations of the less costly $f^1,\dots,f^{k-1}$. If the drift lies in the so-called Harder than Monte Carlo (HTMC) regime, i.e. it requires $ε^{-γ}$ compute to be $ε$-approximated for some $γ>2$, then ML-EM $ε$-approximates the solution of the SDE with $ε^{-γ}$ compute, improving over the traditional EM rate of $ε^{-γ-1}$. In other terms it allows us to solve the SDE at the same cost as a single evaluation of the drift. In the context of diffusion models, the different levels $f^{1},\dots,f^{k}$ are obtained by training UNets of increasing sizes, and ML-EM allows us to perform sampling with the equivalent of a single evaluation of the largest UNet. Our numerical experiments confirm our theory: we obtain up to fourfold speedups for image generation on the CelebA dataset downscaled to 64x64, where we measure a $γ\approx2.5$. Given that this is a polynomial speedup, we expect even stronger speedups in practical applications which involve orders of magnitude larger networks.
Unveiling Hidden Convexity in Deep Learning: a Sparse Signal Processing Perspective
Deep neural networks (DNNs), particularly those using Rectified Linear Unit (ReLU) activation functions, have achieved remarkable success across diverse machine learning tasks, including image recognition, audio processing, and language modeling. Despite this success, the non-convex nature of DNN loss functions complicates optimization and limits theoretical understanding. In this paper, we highlight how recently developed convex equivalences of ReLU NNs and their connections to sparse signal processing models can address the challenges of training and understanding NNs. Recent research has uncovered several hidden convexities in the loss landscapes of certain NN architectures, notably two-layer ReLU networks and other deeper or varied architectures. This paper seeks to provide an accessible and educational overview that bridges recent advances in the mathematics of deep learning with traditional signal processing, encouraging broader signal processing applications.