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Researcher profile

Stefanie Jegelka

Stefanie Jegelka contributes to research discovery and scholarly infrastructure.

ResearcherAffiliation not importedOpen to collaborate
Machine Learningmath.OCComputer VisionArtificial IntelligenceData Structures and Algorithmsmath.STStatistics TheoryDiscrete Mathematicsmath.DSNeural and Evolutionary Computing

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Trust 21 - EmergingVerification L1Unclaimed author
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Published work

19 published item(s)

preprint2026arXiv

Geometric Algorithms for Neural Combinatorial Optimization with Constraints

Self-Supervised Learning (SSL) for Combinatorial Optimization (CO) is an emerging paradigm for solving combinatorial problems using neural networks. In this paper, we address a central challenge of SSL for CO: solving problems with discrete constraints. We design an end-to-end differentiable framework that enables us to solve discrete constrained optimization problems with neural networks. Concretely, we leverage algorithmic techniques from the literature on convex geometry and Carathéodory's theorem to decompose neural network outputs into convex combinations of polytope corners that correspond to feasible sets. This decomposition-based approach enables self-supervised training but also ensures efficient quality-preserving rounding of the neural net output into feasible solutions. Extensive experiments in cardinality-constrained optimization show that our approach can consistently outperform neural baselines. We further provide worked-out examples of how our method can be applied beyond cardinality-constrained problems to a diverse set of combinatorial optimization tasks, including finding independent sets in graphs, and solving matroid-constrained problems.

0 citations0 reviewsNo code linkedOpen access
preprint2026arXiv

Reinforce Adjoint Matching: Scaling RL Post-Training of Diffusion and Flow-Matching Models

Diffusion and flow-matching models scale because pretraining is supervised regression: a clean sample is noised analytically, and a model regresses against a closed-form target. RL post-training aligns the model with a reward. In image generation, this makes samples compose objects correctly, render text legibly, and match human preferences. Existing methods rely on costly SDE rollouts, reward gradients, or surrogate losses, sacrificing pretraining's regression structure. We show that the structure extends to RL post-training. Under KL-regularized reward maximization, the optimal generative process tilts the clean-endpoint distribution towards samples with higher reward and leaves the noising law unchanged. Combining this with the adjoint-matching optimality condition and a REINFORCE identity, we derive Reinforce Adjoint Matching (RAM): a consistency loss that corrects the pretraining target with the reward. At each step, we draw a clean endpoint from the current model, evaluate its reward, noise it as in pretraining, and regress. No SDE rollouts, backward adjoint sweeps, or reward gradients are required. Like the pretraining objective, RAM is simple and scales. On Stable Diffusion 3.5M, RAM achieves the highest reward on composability, text rendering, and human preference, reaching Flow-GRPO's peak reward in up to $50\times$ fewer training steps.

0 citations0 reviewsNo code linkedOpen access
preprint2024arXiv

On the hardness of learning under symmetries

We study the problem of learning equivariant neural networks via gradient descent. The incorporation of known symmetries ("equivariance") into neural nets has empirically improved the performance of learning pipelines, in domains ranging from biology to computer vision. However, a rich yet separate line of learning theoretic research has demonstrated that actually learning shallow, fully-connected (i.e. non-symmetric) networks has exponential complexity in the correlational statistical query (CSQ) model, a framework encompassing gradient descent. In this work, we ask: are known problem symmetries sufficient to alleviate the fundamental hardness of learning neural nets with gradient descent? We answer this question in the negative. In particular, we give lower bounds for shallow graph neural networks, convolutional networks, invariant polynomials, and frame-averaged networks for permutation subgroups, which all scale either superpolynomially or exponentially in the relevant input dimension. Therefore, in spite of the significant inductive bias imparted via symmetry, actually learning the complete classes of functions represented by equivariant neural networks via gradient descent remains hard.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

On the generalization of learning algorithms that do not converge

Generalization analyses of deep learning typically assume that the training converges to a fixed point. But, recent results indicate that in practice, the weights of deep neural networks optimized with stochastic gradient descent often oscillate indefinitely. To reduce this discrepancy between theory and practice, this paper focuses on the generalization of neural networks whose training dynamics do not necessarily converge to fixed points. Our main contribution is to propose a notion of statistical algorithmic stability (SAS) that extends classical algorithmic stability to non-convergent algorithms and to study its connection to generalization. This ergodic-theoretic approach leads to new insights when compared to the traditional optimization and learning theory perspectives. We prove that the stability of the time-asymptotic behavior of a learning algorithm relates to its generalization and empirically demonstrate how loss dynamics can provide clues to generalization performance. Our findings provide evidence that networks that "train stably generalize better" even when the training continues indefinitely and the weights do not converge.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Optimal approximation for unconstrained non-submodular minimization

Submodular function minimization is well studied, and existing algorithms solve it exactly or up to arbitrary accuracy. However, in many applications, such as structured sparse learning or batch Bayesian optimization, the objective function is not exactly submodular, but close. In this case, no theoretical guarantees exist. Indeed, submodular minimization algorithms rely on intricate connections between submodularity and convexity. We show how these relations can be extended to obtain approximation guarantees for minimizing non-submodular functions, characterized by how close the function is to submodular. We also extend this result to noisy function evaluations. Our approximation results are the first for minimizing non-submodular functions, and are optimal, as established by our matching lower bound.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Robust Contrastive Learning against Noisy Views

Contrastive learning relies on an assumption that positive pairs contain related views, e.g., patches of an image or co-occurring multimodal signals of a video, that share certain underlying information about an instance. But what if this assumption is violated? The literature suggests that contrastive learning produces suboptimal representations in the presence of noisy views, e.g., false positive pairs with no apparent shared information. In this work, we propose a new contrastive loss function that is robust against noisy views. We provide rigorous theoretical justifications by showing connections to robust symmetric losses for noisy binary classification and by establishing a new contrastive bound for mutual information maximization based on the Wasserstein distance measure. The proposed loss is completely modality-agnostic and a simple drop-in replacement for the InfoNCE loss, which makes it easy to apply to existing contrastive frameworks. We show that our approach provides consistent improvements over the state-of-the-art on image, video, and graph contrastive learning benchmarks that exhibit a variety of real-world noise patterns.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Theory of Graph Neural Networks: Representation and Learning

Graph Neural Networks (GNNs), neural network architectures targeted to learning representations of graphs, have become a popular learning model for prediction tasks on nodes, graphs and configurations of points, with wide success in practice. This article summarizes a selection of the emerging theoretical results on approximation and learning properties of widely used message passing GNNs and higher-order GNNs, focusing on representation, generalization and extrapolation. Along the way, it summarizes mathematical connections.

0 citations0 reviewsNo code linkedOpen access
preprint2022arXiv

Training invariances and the low-rank phenomenon: beyond linear networks

The implicit bias induced by the training of neural networks has become a topic of rigorous study. In the limit of gradient flow and gradient descent with appropriate step size, it has been shown that when one trains a deep linear network with logistic or exponential loss on linearly separable data, the weights converge to rank-1 matrices. In this paper, we extend this theoretical result to the last few linear layers of the much wider class of nonlinear ReLU-activated feedforward networks containing fully-connected layers and skip connections. Similar to the linear case, the proof relies on specific local training invariances, sometimes referred to as alignment, which we show to hold for submatrices where neurons are stably-activated in all training examples, and it reflects empirical results in the literature. We also show this is not true in general for the full matrix of ReLU fully-connected layers. Our proof relies on a specific decomposition of the network into a multilinear function and another ReLU network whose weights are constant under a certain parameter directional convergence.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

Contrastive Learning with Hard Negative Samples

How can you sample good negative examples for contrastive learning? We argue that, as with metric learning, contrastive learning of representations benefits from hard negative samples (i.e., points that are difficult to distinguish from an anchor point). The key challenge toward using hard negatives is that contrastive methods must remain unsupervised, making it infeasible to adopt existing negative sampling strategies that use true similarity information. In response, we develop a new family of unsupervised sampling methods for selecting hard negative samples where the user can control the hardness. A limiting case of this sampling results in a representation that tightly clusters each class, and pushes different classes as far apart as possible. The proposed method improves downstream performance across multiple modalities, requires only few additional lines of code to implement, and introduces no computational overhead.

0 citations0 reviewsNo code linkedOpen access
preprint2021arXiv

How Neural Networks Extrapolate: From Feedforward to Graph Neural Networks

We study how neural networks trained by gradient descent extrapolate, i.e., what they learn outside the support of the training distribution. Previous works report mixed empirical results when extrapolating with neural networks: while feedforward neural networks, a.k.a. multilayer perceptrons (MLPs), do not extrapolate well in certain simple tasks, Graph Neural Networks (GNNs) -- structured networks with MLP modules -- have shown some success in more complex tasks. Working towards a theoretical explanation, we identify conditions under which MLPs and GNNs extrapolate well. First, we quantify the observation that ReLU MLPs quickly converge to linear functions along any direction from the origin, which implies that ReLU MLPs do not extrapolate most nonlinear functions. But, they can provably learn a linear target function when the training distribution is sufficiently "diverse". Second, in connection to analyzing the successes and limitations of GNNs, these results suggest a hypothesis for which we provide theoretical and empirical evidence: the success of GNNs in extrapolating algorithmic tasks to new data (e.g., larger graphs or edge weights) relies on encoding task-specific non-linearities in the architecture or features. Our theoretical analysis builds on a connection of over-parameterized networks to the neural tangent kernel. Empirically, our theory holds across different training settings.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Complexity of Finding Stationary Points of Nonsmooth Nonconvex Functions

We provide the first non-asymptotic analysis for finding stationary points of nonsmooth, nonconvex functions. In particular, we study the class of Hadamard semi-differentiable functions, perhaps the largest class of nonsmooth functions for which the chain rule of calculus holds. This class contains examples such as ReLU neural networks and others with non-differentiable activation functions. We first show that finding an $ε$-stationary point with first-order methods is impossible in finite time. We then introduce the notion of $(δ, ε)$-stationarity, which allows for an $ε$-approximate gradient to be the convex combination of generalized gradients evaluated at points within distance $δ$ to the solution. We propose a series of randomized first-order methods and analyze their complexity of finding a $(δ, ε)$-stationary point. Furthermore, we provide a lower bound and show that our stochastic algorithm has min-max optimal dependence on $δ$. Empirically, our methods perform well for training ReLU neural networks.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Distributionally Robust Bayesian Optimization

Robustness to distributional shift is one of the key challenges of contemporary machine learning. Attaining such robustness is the goal of distributionally robust optimization, which seeks a solution to an optimization problem that is worst-case robust under a specified distributional shift of an uncontrolled covariate. In this paper, we study such a problem when the distributional shift is measured via the maximum mean discrepancy (MMD). For the setting of zeroth-order, noisy optimization, we present a novel distributionally robust Bayesian optimization algorithm (DRBO). Our algorithm provably obtains sub-linear robust regret in various settings that differ in how the uncertain covariate is observed. We demonstrate the robust performance of our method on both synthetic and real-world benchmarks.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Estimating Generalization under Distribution Shifts via Domain-Invariant Representations

When machine learning models are deployed on a test distribution different from the training distribution, they can perform poorly, but overestimate their performance. In this work, we aim to better estimate a model's performance under distribution shift, without supervision. To do so, we use a set of domain-invariant predictors as a proxy for the unknown, true target labels. Since the error of the resulting risk estimate depends on the target risk of the proxy model, we study generalization of domain-invariant representations and show that the complexity of the latent representation has a significant influence on the target risk. Empirically, our approach (1) enables self-tuning of domain adaptation models, and (2) accurately estimates the target error of given models under distribution shift. Other applications include model selection, deciding early stopping and error detection.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Generalization and Representational Limits of Graph Neural Networks

We address two fundamental questions about graph neural networks (GNNs). First, we prove that several important graph properties cannot be computed by GNNs that rely entirely on local information. Such GNNs include the standard message passing models, and more powerful spatial variants that exploit local graph structure (e.g., via relative orientation of messages, or local port ordering) to distinguish neighbors of each node. Our treatment includes a novel graph-theoretic formalism. Second, we provide the first data dependent generalization bounds for message passing GNNs. This analysis explicitly accounts for the local permutation invariance of GNNs. Our bounds are much tighter than existing VC-dimension based guarantees for GNNs, and are comparable to Rademacher bounds for recurrent neural networks.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

IDEAL: Inexact DEcentralized Accelerated Augmented Lagrangian Method

We introduce a framework for designing primal methods under the decentralized optimization setting where local functions are smooth and strongly convex. Our approach consists of approximately solving a sequence of sub-problems induced by the accelerated augmented Lagrangian method, thereby providing a systematic way for deriving several well-known decentralized algorithms including EXTRA arXiv:1404.6264 and SSDA arXiv:1702.08704. When coupled with accelerated gradient descent, our framework yields a novel primal algorithm whose convergence rate is optimal and matched by recently derived lower bounds. We provide experimental results that demonstrate the effectiveness of the proposed algorithm on highly ill-conditioned problems.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

On the Complexity of Minimizing Convex Finite Sums Without Using the Indices of the Individual Functions

Recent advances in randomized incremental methods for minimizing $L$-smooth $μ$-strongly convex finite sums have culminated in tight complexity of $\tilde{O}((n+\sqrt{n L/μ})\log(1/ε))$ and $O(n+\sqrt{nL/ε})$, where $μ>0$ and $μ=0$, respectively, and $n$ denotes the number of individual functions. Unlike incremental methods, stochastic methods for finite sums do not rely on an explicit knowledge of which individual function is being addressed at each iteration, and as such, must perform at least $Ω(n^2)$ iterations to obtain $O(1/n^2)$-optimal solutions. In this work, we exploit the finite noise structure of finite sums to derive a matching $O(n^2)$-upper bound under the global oracle model, showing that this lower bound is indeed tight. Following a similar approach, we propose a novel adaptation of SVRG which is both \emph{compatible with stochastic oracles}, and achieves complexity bounds of $\tilde{O}((n^2+n\sqrt{L/μ})\log(1/ε))$ and $O(n\sqrt{L/ε})$, for $μ>0$ and $μ=0$, respectively. Our bounds hold w.h.p. and match in part existing lower bounds of $\tildeΩ(n^2+\sqrt{nL/μ}\log(1/ε))$ and $\tildeΩ(n^2+\sqrt{nL/ε})$, for $μ>0$ and $μ=0$, respectively.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Strength from Weakness: Fast Learning Using Weak Supervision

We study generalization properties of weakly supervised learning. That is, learning where only a few "strong" labels (the actual target of our prediction) are present but many more "weak" labels are available. In particular, we show that having access to weak labels can significantly accelerate the learning rate for the strong task to the fast rate of $\mathcal{O}(\nicefrac1n)$, where $n$ denotes the number of strongly labeled data points. This acceleration can happen even if by itself the strongly labeled data admits only the slower $\mathcal{O}(\nicefrac{1}{\sqrt{n}})$ rate. The actual acceleration depends continuously on the number of weak labels available, and on the relation between the two tasks. Our theoretical results are reflected empirically across a range of tasks and illustrate how weak labels speed up learning on the strong task.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

Testing Determinantal Point Processes

Determinantal point processes (DPPs) are popular probabilistic models of diversity. In this paper, we investigate DPPs from a new perspective: property testing of distributions. Given sample access to an unknown distribution $q$ over the subsets of a ground set, we aim to distinguish whether $q$ is a DPP distribution, or $ε$-far from all DPP distributions in $\ell_1$-distance. In this work, we propose the first algorithm for testing DPPs. Furthermore, we establish a matching lower bound on the sample complexity of DPP testing. This lower bound also extends to showing a new hardness result for the problem of testing the more general class of log-submodular distributions.

0 citations0 reviewsNo code linkedOpen access
preprint2020arXiv

What Can Neural Networks Reason About?

Neural networks have succeeded in many reasoning tasks. Empirically, these tasks require specialized network structures, e.g., Graph Neural Networks (GNNs) perform well on many such tasks, but less structured networks fail. Theoretically, there is limited understanding of why and when a network structure generalizes better than others, although they have equal expressive power. In this paper, we develop a framework to characterize which reasoning tasks a network can learn well, by studying how well its computation structure aligns with the algorithmic structure of the relevant reasoning process. We formally define this algorithmic alignment and derive a sample complexity bound that decreases with better alignment. This framework offers an explanation for the empirical success of popular reasoning models, and suggests their limitations. As an example, we unify seemingly different reasoning tasks, such as intuitive physics, visual question answering, and shortest paths, via the lens of a powerful algorithmic paradigm, dynamic programming (DP). We show that GNNs align with DP and thus are expected to solve these tasks. On several reasoning tasks, our theory is supported by empirical results.

0 citations0 reviewsNo code linkedOpen access