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Deep Learning · Theory

George Rapakoulias, Ali Reza Pedram, Fengjiao Liu, Lingjiong Zhu, Panagiotis Tsiotras

Schrodinger Bridges (SBs) are diffusion processes that steer, in finite time, a given initial distribution to another final one while minimizing a suitable cost functional. Although various methods for computing SBs have recently been proposed in the literature, most of these approaches require computationally expensive training schemes, even for solving low-dimensional problems. In this work, we propose an analytic parametrization of a set of feasible policies for steering the distribution of a dynamical system from one Gaussian Mixture Model (GMM) to another. Instead of relying on standard non-convex optimization techniques, the optimal policy within the set can be approximated as the solution of a low-dimensional linear program whose dimension scales linearly with the number of components in each mixture. The proposed method generalizes naturally to more general classes of dynamical systems, such as controllable linear time-varying systems, enabling efficient solutions to multi-marginal momentum SBs between GMMs, a challenging distribution interpolation problem. We showcase the potential of this approach in low-to-moderate dimensional problems such as image-to-image translation in the latent space of an autoencoder, learning of cellular dynamics using multi-marginal momentum SBs, and various other examples. The implementation is publicly available at https://github.com/georgeRapa/GMMflow.

Social Aspects · Fairness, Equity, Justice and Safety

Joshua Engels, David Baek, Subhash Kantamneni, Max Tegmark

Scalable oversight, the process by which weaker AI systems supervise stronger ones, has been proposed as a key strategy to control future superintelligent systems. However, it is still unclear how scalable oversight itself scales. To address this gap, we propose a framework that quantifies the probability of successful oversight as a function of the capabilities of the overseer and the system being overseen. Specifically, our framework models oversight as a game between capability-mismatched players; the players have oversight-specific Elo scores that are a piecewise-linear function of their general intelligence, with two plateaus corresponding to task incompetence and task saturation. We validate our framework with a modified version of the game Nim and then apply it to four oversight games: Mafia, Debate, Backdoor Code and Wargames. For each game, we find scaling laws that approximate how domain performance depends on general AI system capability. We then build on our findings in a theoretical study of Nested Scalable Oversight (NSO), a process in which trusted models oversee untrusted stronger models, which then become the trusted models in the next step. We identify conditions under which NSO succeeds and derive numerically (and in some cases analytically) the optimal number of oversight levels to maximize the probability of oversight success. We also apply our theory to our four oversight games, where we find that NSO success rates at a general Elo gap of 400 are 13.5\% for Mafia, 51.7\% for Debate, 10.0\% for Backdoor Code, and 9.4\% for Wargames; these rates decline further when overseeing stronger systems.

Optimization

Xuchen Gong, Tian Li

One of the major bottlenecks for deploying popular first-order differentially private (DP) machine learning algorithms (e.g., DP-SGD) lies in their high computation and memory cost, despite the existence of optimized implementations. Zeroth-order methods have promise in mitigating the overhead, as they leverage function evaluations to approximate the gradients, hence significantly easier to privatize. While recent works have explored zeroth-order approaches in both private and non-private settings, they still suffer from relatively low utilities compared with DP-SGD, and have only been evaluated in limited application domains. In this work, we propose to leverage public information to guide and improve gradient approximation of private zeroth-order algorithms. We explore a suite of \underline{p}ublic-data-\underline{a}ssisted \underline{z}eroth-\underline{o}rder optimizers (PAZO) with minimal overhead. We provide theoretical analyses of the PAZO framework under an assumption of the similarity between public and private data. Empirically, we demonstrate that PAZO achieves superior privacy/utility tradeoffs across vision and text tasks in both pre-training and fine-tuning settings, outperforming the best first-order baselines (with public data) especially in highly private regimes, while offering up to $16\times$ runtime speedup.

Theory · Reinforcement Learning and Planning

Ameya Anjarlekar, S. Rasoul Etesami, R. Srikant

The continuous nature of belief states in POMDPs presents significant computational challenges in learning the optimal policy. In this paper, we consider an approach that solves a Partially Observable Reinforcement Learning (PORL) problem by approximating the corresponding POMDP model into a finite-state Markov Decision Process (MDP) (called Superstate MDP). We first derive theoretical guarantees that improve upon prior work that relate the optimal value function of the transformed Superstate MDP to the optimal value function of the original POMDP. Next, we propose a policy-based learning approach with linear function approximation to learn the optimal policy for the Superstate MDP. Consequently, our approach shows that a POMDP can be approximately solved using TD-learning followed by Policy Optimization by treating it as an MDP, where the MDP state corresponds to a finite history. We show that the approximation error decreases exponentially with the length of this history. To the best of our knowledge, our finite-time bounds are the first to explicitly quantify the error introduced when applying standard TD learning to a setting where the true dynamics are not Markovian.

Theory · Reinforcement Learning and Planning

Xiaoli Tang, Han Yu, Xiaoxiao Li

Auction-based Federated Learning (AFL) fosters collaboration among self-interested data consumers (DCs) and data owners (DOs). A major challenge in AFL pertains to how DCs select and bid for DOs. Existing methods are generally static, making them ill-suited for dynamic AFL markets. To address this issue, we propose the R}einforcement Learning-based Bidding Strategy for DCs in Auction-based Federated Learning (RLB-AFL). We incorporate historical states into a Deep Q-Network to capture sequential information critical for bidding decisions. To mitigate state space sparsity, where specific states rarely reoccur for each DC during auctions, we incorporate the Gaussian Mixture Model into RLB-AFL. This facilitates soft clustering on sequential states, reducing the state space dimensionality and easing exploration and action-value function approximation. In addition, we enhance the $\epsilon$-greedy policy to help the RLB-AFL agent balance exploitation and exploration, enabling it to be more adaptable in the AFL decision-making process. Extensive experiments under 6 widely used benchmark datasets demonstrate that RLB-AFL achieves superior performance compared to 8 state-of-the-art approaches. It outperforms the best baseline by 10.56% and 3.15% in terms of average total utility

General Machine Learning · Everything Else

Travis Pence, Daisuke Yamada, Vikas Singh

Contemporary large models often exhibit behaviors suggesting the presence of low-level primitives that compose into modules with richer functionality, but these fundamental building blocks remain poorly understood. We investigate this compositional structure in linear layers by asking: \textit{can we identify/synthesize linear transformations from a minimal set of geometric primitives?} Using Clifford algebra, we show that linear layers can be expressed as compositions of bivectors---geometric objects encoding oriented planes---and introduce a differentiable algorithm that decomposes them into products of rotors. This construction uses only $\mathcal{O}(\log^2 d)$ parameters, versus $\mathcal{O}(d^2)$ required by dense matrices. Applied to the key, query, and value projections in LLM attention layers, our rotor-based layers match the performance of strong baselines such as block-Hadamard and low-rank approximations. Our findings provide an algebraic perspective on how these geometric primitives can compose into higher-level functions within deep models.

Social Aspects · Accountability, Transparency and Interpretability

Thummaluru Siddartha Reddy, Vempalli Naga Sai Saketh, Mahesh Chandran

Graph Neural Networks \texttt{(GNNs)} excel at jointly modeling node features and topology, yet their \emph{black-box} nature limits their adoption in real-world applications where interpretability is desired. Inspired by the success of interpretable Neural Additive Models \texttt{(NAM)} for tabular data, Graph Neural Additive Network \texttt{(GNAN)} extends the additive modeling approach to graph data to overcome limitations of GNNs. While being interpretable, \texttt{GNAN} representation learning overlooks the importance of local aggregation and more importantly suffers from parameter complexity. To mitigate the above challenges, we introduce Graph Neural Additive Model with Random Fourier Features (\texttt{G-NAMRFF}), a lightweight, self‐interpretable graph additive architecture. \texttt{G-NAMRFF} represents each node embedding as the sum of feature‐wise contributions where contributions are modeled via a \emph{Gaussian process} \texttt{(GP)} with a graph- and feature-aware kernel. Specifically, we construct a kernel using Radial Basis Function (\texttt{RBF}) with graph structure induced by Laplacian and learnable Finite Impulse Response (\texttt{FIR}) filter. We approximate the kernel using Random Fourier Features (\texttt{RFFs}) which transforms the \texttt{GP} prior to a Bayesian formulation, which are subsequently learnt using a single layer neural network with size equal to number of \texttt{RFF} features. \texttt{G-NAMRFF} is light weight with $168\times$ fewer parameters compared to \texttt{GNAN}. Despite its compact size, \texttt{G-NAMRFF} matches or outperforms state-of-the-art \texttt{GNNs} and \texttt{GNAN} on node and graph classification tasks, delivering real-time interpretability without sacrificing accuracy.

Theory · Learning Theory

Pengqi Li, Lizhong Ding, Jiarun Fu, Chunhui Zhang, Guoren Wang, Ye Yuan

Kolmogorov-Arnold Networks (KANs) have demonstrated remarkable expressive capacity and predictive power in symbolic learning. However, existing generalization errors of KANs primarily focus on approximation errors while neglecting estimation errors, leading to a suboptimal bias-variance trade-off and poor generalization performance. Meanwhile, the unclear generalization mechanism hinders the design of more effective KANs variants. As the authors of KANs highlighted, they ``would like to explore ways to restrict KANs' hypothesis space so that they can achieve good performance''. To address these challenges, we explore the generalization mechanism of KANs and design more effective KANs with lower model complexity and better generalization. We define \textit{Lipschitz complexity} as the first structural measure for deep functions represented by KANs and derive novel generalization bounds based on \textit{Lipschitz complexity}, establishing a theoretical foundation for understanding their generalization behavior. To reduce \textit{Lipschitz complexity} and boost the generalization mechanism of KANs, we propose Lipschitz-Enhanced KANs ($\textbf{LipKANs}$) by integrating the Lip layer and pioneering the $L_{1.5}$-regularized loss, contributing to tighter generalization bounds. Empirical experiments validate that the proposed LipKANs enhance the generalization mechanism of KANs when modeling complex distributions. We hope our theoretical bounds and LipKANs lay a foundation for the future development of KANs.

Applications · Neuroscience, Cognitive Science

Shuhan Zhang, Zhi Wang, Rui Gao, Shuang Li

Modeling human decision-making is central to applications such as recommendation, preference learning, and human-AI alignment. While many classic models assume context-independent choice behavior, a large body of behavioral research shows that preferences are often influenced by the composition of the choice set itself---a phenomenon known as the context effect or Halo effect. These effects can manifest as pairwise (first-order) or even higher-order interactions among the available alternatives. Recent models that attempt to capture such effects either focus on the featureless setting or, in the feature-based setting, rely on restrictive interaction structures or entangle interactions across all orders, which limits interpretability. In this work, we propose DeepHalo, a neural modeling framework that incorporates features while enabling explicit control over interaction order and principled interpretation of context effects. Our model enables systematic identification of interaction effects by order and serves as a universal approximator of context-dependent choice functions when specialized to a featureless setting. Experiments on synthetic and real-world datasets demonstrate strong predictive performance while providing greater transparency into the drivers of choice.

Applications · Physics

Panqi Chen, Yifan Sun, Lei Cheng, YANG YANG, Weichang Li, Yang Liu, Weiqing Liu, Jiang Bian, Shikai Fang

Modeling and reconstructing multidimensional physical dynamics from sparse and off-grid observations presents a fundamental challenge in scientific research. Recently, diffusion-based generative modeling shows promising potential for physical simulation. However, current approaches typically operate on on-grid data with preset spatiotemporal resolution, but struggle with the sparsely observed and continuous nature of real-world physical dynamics. To fill the gaps, we present SDIFT, Sequential DIffusion in Functional Tucker space, a novel framework that generates full-field evolution of physical dynamics from irregular sparse observations. SDIFT leverages the functional Tucker model as the latent space representer with proven universal approximation property, and represents sparse observations as latent functions and Tucker core sequences. We then construct a sequential diffusion model with temporally augmented UNet in the functional Tucker space, denoising noise drawn from a Gaussian process to generate the sequence of core tensors. At the posterior sampling stage, we propose a Message-Passing Posterior Sampling mechanism, enabling conditional generation of the entire sequence guided by observations at limited time steps. We validate SDIFT on three physical systems spanning astronomical (supernova explosions, light-year scale), environmental (ocean sound speed fields, kilometer scale), and molecular (organic liquid, millimeter scale) domains, demonstrating significant improvements in both reconstruction accuracy and computational efficiency compared to state-of-the-art approaches.

Theory · Learning Theory

Guoji Fu, Wee Sun Lee

This paper studies the approximation and generalization abilities of score-based neural network generative models (SGMs) in estimating an unknown distribution $P_0$ from $n$ i.i.d. observations in $d$ dimensions. Assuming merely that $P_0$ is $\alpha$-sub-Gaussian, we prove that for any time step $t \in [t_0, n^{\mathcal{O}(1)}]$, where $t_0 > \mathcal{O}(\alpha^2n^{-2/d}\log n)$, there exists a deep ReLU neural network with width $\leq \mathcal{O}(n^{\frac{3}{d}}\log_2n)$ and depth $\leq \mathcal{O}(\log^2n)$ that can approximate the scores with $\tilde{\mathcal{O}}(n^{-1})$ mean square error and achieve a nearly optimal rate of $\tilde{\mathcal{O}}(n^{-1}t_0^{-d/2})$ for score estimation, as measured by the score matching loss. Our framework is universal and can be used to establish convergence rates for SGMs under milder assumptions than previous work. For example, assuming further that the target density function $p_0$ lies in Sobolev or Besov classes, with an appropriately early stopping strategy, we demonstrate that neural network-based SGMs can attain nearly minimax convergence rates up to logarithmic factors. Our analysis removes several crucial assumptions, such as Lipschitz continuity of the score function or a strictly positive lower bound on the target density.

Deep Learning · Theory

Daniel Kunin, Giovanni Luca Marchetti, Feng Chen, Dhruva Karkada, James Simon, Michael Deweese, Surya Ganguli, Nina Miolane

What features neural networks learn, and how, remains an open question. In this paper, we introduce Alternating Gradient Flows (AGF), an algorithmic framework that describes the dynamics of feature learning in two-layer networks trained from small initialization. Prior works have shown that gradient flow in this regime exhibits a staircase-like loss curve, alternating between plateaus where neurons slowly align to useful directions and sharp drops where neurons rapidly grow in norm. AGF approximates this behavior as an alternating two-step process: maximizing a utility function over dormant neurons and minimizing a cost function over active ones. AGF begins with all neurons dormant, corresponding to an initialization at the origin. At each iteration, a dormant neuron activates, triggering the acquisition of a feature and a drop in the loss. AGF quantifies the order, timing, and magnitude of these drops, matching experiments across several commonly studied architectures. We show that AGF unifies and extends existing saddle-to-saddle analyses in fully connected linear networks and attention-only linear transformers, where the learned features are singular modes and principal components, respectively. In diagonal linear networks, we prove AGF converges to gradient flow in the limit of vanishing initialization. Applying AGF to quadratic networks trained to perform modular addition, we give the first complete characterization of the training dynamics, revealing that networks learn Fourier features in decreasing order of coefficient magnitude. Altogether, AGF offers a promising step towards understanding feature learning in neural networks.

Social Aspects · Accountability, Transparency and Interpretability

Nathan Wycoff

Regression trees have emerged as a preeminent tool for solving real-world regression problems due to their ability to deal with nonlinearities, interaction effects and sharp discontinuities. In this article, we rather study regression trees applied to well-behaved, differentiable functions, and determine the relationship between node parameters and the local gradient of the function being approximated. We find a simple estimate of the gradient which can be efficiently computed using quantities exposed by popular tree learning libraries. This allows tools developed in the context of differentiable algorithms, like neural nets and Gaussian processes, to be deployed to tree-based models. To demonstrate this, we study measures of model sensitivity defined in terms of integro-differential quantities and demonstrate how to compute them for regression trees using the proposed gradient estimates. Quantitative and qualitative numerical experiments reveal the capability of gradients estimated by regression trees to improve predictive analysis, solve tasks in uncertainty quantification, and provide interpretation of model behavior.

Deep Learning · Generative Models and Autoencoders

Yinuo Ren, Haoxuan Chen, Yuchen Zhu, Wei Guo, Yongxin Chen, Grant Rotskoff, Molei Tao, Lexing Ying

Discrete diffusion models have emerged as a powerful generative modeling framework for discrete data with successful applications spanning from text generation to image synthesis. However, their deployment faces challenges due to the high dimensionality of the state space, necessitating the development of efficient inference algorithms. Current inference approaches mainly fall into two categories: exact simulation and approximate methods such as $\tau$-leaping. While exact methods suffer from unpredictable inference time and redundant function evaluations, $\tau$-leaping is limited by its first-order accuracy. In this work, we advance the latter category by tailoring the first extension of high-order numerical inference schemes to discrete diffusion models, enabling larger step sizes while reducing error. We rigorously analyze the proposed schemes and establish the second-order accuracy of the $\theta$-Trapezoidal method in KL divergence. Empirical evaluations on GSM8K-level math-reasoning, GPT-2-level text, and ImageNet-level image generation tasks demonstrate that our method achieves superior sample quality compared to existing approaches under equivalent computational constraints, with consistent performance gains across models ranging from 200M to 8B. Our code is available at https://github.com/yuchen-zhu-zyc/DiscreteFastSolver

General Machine Learning · Representation Learning

Samuel V. Singh, Shirley Coyle, Mimi Zhang

We introduce FAEclust, a novel functional autoencoder framework for cluster analysis of multi-dimensional functional data, data that are random realizations of vector-valued random functions. Our framework features a universal-approximator encoder that captures complex nonlinear interdependencies among component functions, and a universal-approximator decoder capable of accurately reconstructing both Euclidean and manifold-valued functional data. Stability and robustness are enhanced through innovative regularization strategies applied to functional weights and biases. Additionally, we incorporate a clustering loss into the network's training objective, promoting the learning of latent representations that are conducive to effective clustering. A key innovation is our shape-informed clustering objective, ensuring that the clustering results are resistant to phase variations in the functions. We establish the universal approximation property of our non-linear decoder and validate the effectiveness of our model through extensive experiments.

Computer Vision · Image and Video Generation

Derong Kong, Zhixiong Yang, Shengxi Li, Shuaifeng Zhi, Li Liu, Zhen Liu, Jingyuan Xia

Low-light image enhancement (LLIE) faces persistent challenges in balancing reconstruction fidelity with cross-scenario generalization. While existing methods predominantly focus on deterministic pixel-level mappings between paired low/normal-light images, they often neglect the continuous physical process of luminance transitions in real-world environments, leading to performance drop when normal-light references are unavailable. Inspired by empirical analysis of natural luminance dynamics revealing power-law distributed intensity transitions, this paper introduces Luminance-Aware Statistical Quantification (LASQ), a novel framework that reformulates LLIE as a statistical sampling process over hierarchical luminance distributions. Our LASQ re-conceptualizes luminance transition as a power-law distribution in intensity coordinate space that can be approximated by stratified power functions, therefore, replacing deterministic mappings with probabilistic sampling over continuous luminance layers. A diffusion forward process is designed to autonomously discover optimal transition paths between luminance layers, achieving unsupervised distribution emulation without normal-light references. In this way, it considerably improves the performance in practical situations, enabling more adaptable and versatile light restoration. This framework is also readily applicable to cases with normal-light references, where it achieves superior performance on domain-specific datasets alongside better generalization-ability across non-reference datasets. The code is available at: https://github.com/XYLGroup/LASQ.

General Machine Learning · Causality

Miruna Oprescu, Brian Cho, Nathan Kallus

We study the problem of estimating the average treatment effect (ATE) in adaptive experiments where treatment can only be encouraged—rather than directly assigned—via a binary instrumental variable. Building on semiparametric efficiency theory, we derive the efficiency bound for ATE estimation under arbitrary, history-dependent instrument-assignment policies, and show it is minimized by a variance-aware allocation rule that balances outcome noise and compliance variability. Leveraging this insight, we introduce AMRIV—an **A**daptive, **M**ultiply-**R**obust estimator for **I**nstrumental-**V**ariable settings with variance-optimal assignment. AMRIV pairs (i) an online policy that adaptively approximates the optimal allocation with (ii) a sequential, influence-function–based estimator that attains the semiparametric efficiency bound while retaining multiply-robust consistency. We establish asymptotic normality, explicit convergence rates, and anytime-valid asymptotic confidence sequences that enable sequential inference. Finally, we demonstrate the practical effectiveness of our approach through empirical studies, showing that adaptive instrument assignment, when combined with the AMRIV estimator, yields improved efficiency and robustness compared to existing baselines.

Probabilistic Methods

Sang Min Kim, Byeongchan Kim, Arijit Sehanobish, Somnath Basu Roy Chowdhury, Rahul Kidambi, Dongseok Shim, Kumar Avinava Dubey, Snigdha Chaturvedi, Min-hwan Oh, Krzysztof M Choromanski

Efficient neural networks are essential for scaling machine learning models to real-time applications and resource-constrained environments. Fully-connected feedforward layers (FFLs) introduce computation and parameter count bottlenecks within neural network architectures. To address this challenge, in this work, we propose a new class of dense layers that generalize standard fully-connected feedforward layers, $\textbf{E}$fficient, $\textbf{U}$nified and $\textbf{Gen}$eral dense layers (EUGens). EUGens leverage random features to approximate standard FFLs and go beyond them by incorporating a direct dependence on the input norms in their computations. The proposed layers unify existing efficient FFL extensions and improve efficiency by reducing inference complexity from quadratic to linear time. They also lead to $\textbf{the first}$ unbiased algorithms approximating FFLs with arbitrary polynomial activation functions. Furthermore, EuGens reduce the parameter count and computational overhead while preserving the expressive power and adaptability of FFLs. We also present a layer-wise knowledge transfer technique that bypasses backpropagation, enabling efficient adaptation of EUGens to pre-trained models. Empirically, we observe that integrating EUGens into Transformers and MLPs yields substantial improvements in inference speed (up to $\textbf{27}$\%) and memory efficiency (up to $\textbf{30}$\%) across a range of tasks, including image classification, language model pre-training, and 3D scene reconstruction. Overall, our results highlight the potential of EUGens for the scalable deployment of large-scale neural networks in real-world scenarios.

Applications · Neuroscience, Cognitive Science

Arina Medvedeva, Edoardo Balzani, Alex Williams, Stephen Keeley

The Poisson Generalized Linear Model (GLM) is a foundational tool for analyzing neural spike train data. However, standard implementations rely on discretizing spike times into binned count data, limiting temporal resolution and scalability. Here, we develop stochastic optimization methods and polynomial approximations to the continuous-time analog of these models, and show them to be advantageous over their discrete-time counterparts. Further, we propose using a set of exponentially scaled Laguerre polynomials as an orthogonal temporal basis, which improves filter identification and yields closed-form integral solutions under the polynomial approximation. Applied to both synthetic and real spike-time data from rodent hippocampus, our methods demonstrate superior accuracy and scalability compared to traditional binned GLMs, enabling functional connectivity inference in large-scale neural recordings that are temporally precise on the order of synaptic dynamical timescales. We provide open-source implementations of both MC and PA estimators, optimized for GPU acceleration, to facilitate adoption in the neuroscience community.

Fan Chen, Zeyu Jia, Alexander Rakhlin, Tengyang Xie

Reinforcement learning with outcome-based feedback faces a fundamental challenge: when rewards are only observed at trajectory endpoints, how do we assign credit to the right actions? This paper provides the first comprehensive analysis of this problem in online RL with general function approximation. We develop a provably sample-efficient algorithm achieving $\widetilde{O}({C_{\rm cov} H^3}/{\varepsilon^2})$ sample complexity, where $C_{\rm cov}$ is the coverability coefficient of the underlying MDP. By leveraging general function approximation, our approach works effectively in large or infinite state spaces where tabular methods fail, requiring only that value functions and reward functions can be represented by appropriate function classes. Our results also characterize when outcome-based feedback is statistically separated from per-step rewards, revealing an unavoidable exponential separation for certain MDPs. For deterministic MDPs, we show how to eliminate the completeness assumption, dramatically simplifying the algorithm. We further extend our approach to preference-based feedback settings, proving that equivalent statistical efficiency can be achieved even under more limited information. Together, these results constitute a theoretical foundation for understanding the statistical properties of outcome-based reinforcement learning.