OpenRaiser/Intern-Atlas huggingface dataset:
On the Dynamics Under the Unhinged Loss and Beyond
Venue: Journal JMLR 2023
Year: 2023

Recent works have studied implicit biases in deep learning, especially the behavior of last-layer features and classifier weights. However, they usually need to simplify the intermediate dynamics under gradient flow or gradient descent due to the intractability of loss functions and model architectures. In this paper, we introduce the unhinged loss, a concise loss function, that offers more mathematical opportunities to analyze the closed-form dynamics while requiring as few simplifications or assumptions as possible. The unhinged loss allows for considering more practical techniques, such as time-vary learning rates and feature normalization. Based on the layer-peeled model that views last-layer features as free optimization variables, we conduct a thorough analysis in the unconstrained, regularized, and spherical constrained cases, as well as the case where the neural tangent kernel remains invariant. To bridge the performance of the unhinged loss to that of Cross-Entropy (CE), we investigate the scenario of fixing classifier weights with a specific structure, (e.g., a simplex equiangular tight frame). Our analysis shows that these dynamics converge exponentially fast to a solution depending on the initialization of features and classifier weights. These theoretical results not only offer valuable insights, including explicit feature regularization and rescaled learning rates for enhancing practical training with the unhinged loss, but also extend their applicability to other loss functions. Finally, we empirically demonstrate these theoretical results and insights through extensive experiments.
Scaling the Convex Barrier with Sparse Dual Algorithms
Venue: Journal JMLR 2024
Year: 2024

Tight and efficient neural network bounding is crucial to the scaling of neural network verification systems. Many efficient bounding algorithms have been presented recently, but they are often too loose to verify more challenging properties. This is due to the weakness of the employed relaxation, which is usually a linear program of size linear in the number of neurons. While a tighter linear relaxation for piecewise-linear activations exists, it comes at the cost of exponentially many constraints and currently lacks an efficient customized solver. We alleviate this deficiency by presenting two novel dual algorithms: one operates a subgradient method on a small active set of dual variables, the other exploits the sparsity of Frank-Wolfe type optimizers to incur only a linear memory cost. Both methods recover the strengths of the new relaxation: tightness and a linear separation oracle. At the same time, they share the benefits of previous dual approaches for weaker relaxations: massive parallelism, GPU implementation, low cost per iteration and valid bounds at any time. As a consequence, we can obtain better bounds than off-the-shelf solvers in only a fraction of their running time, attaining significant formal verification speed-ups.
Sum-of-norms clustering does not separate nearby balls
Venue: Journal JMLR 2024
Year: 2024

Sum-of-norms clustering is a popular convexification of $K$-means clustering. We show that, if the dataset is made of a large number of independent random variables distributed according to the uniform measure on the union of two disjoint balls of unit radius, and if the balls are sufficiently close to one another, then sum-of-norms clustering will typically fail to recover the decomposition of the dataset into two clusters. As the dimension tends to infinity, this happens even when the distance between the centers of the two balls is taken to be as large as $2\sqrt{2}$. In order to show this, we introduce and analyze a continuous version of sum-of-norms clustering, where the dataset is replaced by a general measure. In particular, we state and prove a local-global characterization of the clustering that seems to be new even in the case of discrete datapoints.
Adaptivity and Non-stationarity: Problem-dependent Dynamic Regret for Online Convex Optimization
Venue: Journal JMLR 2024
Year: 2024

We investigate online convex optimization in non-stationary environments and choose dynamic regret as the performance measure, defined as the difference between cumulative loss incurred by the online algorithm and that of any feasible comparator sequence. Let $T$ be the time horizon and $P_T$ be the path length that essentially reflects the non-stationarity of environments, the state-of-the-art dynamic regret is $\mathcal{O}(\sqrt{T(1+P_T)})$. Although this bound is proved to be minimax optimal for convex functions, in this paper, we demonstrate that it is possible to further enhance the guarantee for some easy problem instances, particularly when online functions are smooth. Specifically, we introduce novel online algorithms that can exploit smoothness and replace the dependence on $T$ in dynamic regret with problem-dependent quantities: the variation in gradients of loss functions, the cumulative loss of the comparator sequence, and the minimum of these two terms. These quantities are at most $\mathcal{O}(T)$ while could be much smaller in benign environments. Therefore, our results are adaptive to the intrinsic difficulty of the problem, since the bounds are tighter than existing results for easy problems and meanwhile safeguard the same rate in the worst case. Notably, our proposed algorithms can achieve favorable dynamic regret with only one gradient per iteration, sharing the same gradient query complexity as the static regret minimization methods. To accomplish this, we introduce the collaborative online ensemble framework. The proposed framework employs a two-layer online ensemble to handle non-stationarity, and uses optimistic online learning and further introduces crucial correction terms to enable effective collaboration within the meta-base two layers, thereby attaining adaptivity. We believe the framework can be useful for broader problems.
On the Generalization of Stochastic Gradient Descent with Momentum
Venue: Journal JMLR 2024
Year: 2024

While momentum-based accelerated variants of stochastic gradient descent (SGD) are widely used when training machine learning models, there is little theoretical understanding on the generalization error of such methods. In this work, we first show that there exists a convex loss function for which the stability gap for multiple epochs of SGD with standard heavy-ball momentum (SGDM) becomes unbounded. Then, for smooth Lipschitz loss functions, we analyze a modified momentum-based update rule, i.e., SGD with early momentum (SGDEM) under a broad range of step-sizes, and show that it can train machine learning models for multiple epochs with a guarantee for generalization. Finally, for the special case of strongly convex loss functions, we find a range of momentum such that multiple epochs of standard SGDM, as a special form of SGDEM, also generalizes. Extending our results on generalization, we also develop an upper bound on the expected true risk, in terms of the number of training steps, sample size, and momentum. Our experimental evaluations verify the consistency between the numerical results and our theoretical bounds. SGDEM improves the generalization error of SGDM when training ResNet-18 on ImageNet in practical distributed settings.
Memory-Efficient Sequential Pattern Mining with Hybrid Tries
Venue: Journal JMLR 2024
Year: 2024

This paper develops a memory-efficient approach for Sequential Pattern Mining (SPM), a fundamental topic in knowledge discovery that faces a well-known memory bottleneck for large data sets. Our methodology involves a novel hybrid trie data structure that exploits recurring patterns to compactly store the data set in memory; and a corresponding mining algorithm designed to effectively extract patterns from this compact representation. Numerical results on small to medium-sized real-life test instances show an average improvement of 85% in memory consumption and 49% in computation time compared to the state of the art. For large data sets, our algorithm stands out as the only capable SPM approach within 256GB of system memory, potentially saving 1.7TB in memory consumption.
Random Subgraph Detection Using Queries
Venue: Journal JMLR 2024
Year: 2024

The planted densest subgraph detection problem refers to the task of testing whether in a given (random) graph there is a subgraph that is unusually dense. Specifically, we observe an undirected and unweighted graph on $n$ vertices. Under the null hypothesis, the graph is a realization of an Erdős-Rényi graph with edge probability (or, density) $q$. Under the alternative, there is a subgraph on $k$ vertices with edge probability $p>q$. The statistical as well as the computational barriers of this problem are well-understood for a wide range of the edge parameters $p$ and $q$. In this paper, we consider a natural variant of the above problem, where one can only observe a relatively small part of the graph using adaptive edge queries. For this model, we determine the number of queries necessary and sufficient (accompanied with a quasi-polynomial optimal algorithm) for detecting the presence of the planted subgraph. We also propose a polynomial-time algorithm which is able to detect the planted subgraph, albeit with more queries compared to the above lower bound. We conjecture that in the leftover regime, no polynomial-time algorithms exist. Our results resolve two open questions posed in the past literature.
Towards Explainable Evaluation Metrics for Machine Translation
Venue: Journal JMLR 2024
Year: 2024

Unlike classical lexical overlap metrics such as BLEU, most current evaluation metrics for machine translation (for example, COMET or BERTScore) are based on black-box large language models. They often achieve strong correlations with human judgments, but recent research indicates that the lower-quality classical metrics remain dominant, one of the potential reasons being that their decision processes are more transparent. To foster more widespread acceptance of novel high-quality metrics, explainability thus becomes crucial. In this concept paper, we identify key properties as well as key goals of explainable machine translation metrics and provide a comprehensive synthesis of recent techniques, relating them to our established goals and properties. In this context, we also discuss the latest state-of-the-art approaches to explainable metrics based on generative models such as ChatGPT and GPT4. Finally, we contribute a vision of next-generation approaches, including natural language explanations. We hope that our work can help catalyze and guide future research on explainable evaluation metrics and, mediately, also contribute to better and more transparent machine translation systems.
Learning Discretized Neural Networks under Ricci Flow
Venue: Journal JMLR 2024
Year: 2024

In this paper, we study Discretized Neural Networks (DNNs) composed of low-precision weights and activations, which suffer from either infinite or zero gradients due to the non-differentiable discrete function during training. Most training-based DNNs in such scenarios employ the standard Straight-Through Estimator (STE) to approximate the gradient w.r.t. discrete values. However, the use of STE introduces the problem of gradient mismatch, arising from perturbations in the approximated gradient. To address this problem, this paper reveals that this mismatch can be interpreted as a metric perturbation in a Riemannian manifold, viewed through the lens of duality theory. Building on information geometry, we construct the Linearly Nearly Euclidean (LNE) manifold for DNNs, providing a background for addressing perturbations. By introducing a partial differential equation on metrics, i.e., the Ricci flow, we establish the dynamical stability and convergence of the LNE metric with the $L^2$-norm perturbation. In contrast to previous perturbation theories with convergence rates in fractional powers, the metric perturbation under the Ricci flow exhibits exponential decay in the LNE manifold. Experimental results across various datasets demonstrate that our method achieves superior and more stable performance for DNNs compared to other representative training-based methods.
Risk Measures and Upper Probabilities: Coherence and Stratification
Venue: Journal JMLR 2024
Year: 2024

Machine learning typically presupposes classical probability theory which implies that aggregation is built upon expectation. There are now multiple reasons to motivate looking at richer alternatives to classical probability theory as a mathematical foundation for machine learning. We systematically examine a powerful and rich class of alternative aggregation functionals, known variously as spectral risk measures, Choquet integrals or Lorentz norms. We present a range of characterization results, and demonstrate what makes this spectral family so special. In doing so we arrive at a natural stratification of all coherent risk measures in terms of the upper probabilities that they induce by exploiting results from the theory of rearrangement invariant Banach spaces. We empirically demonstrate how this new approach to uncertainty helps tackling practical machine learning problems.
Polygonal Unadjusted Langevin Algorithms: Creating stable and efficient adaptive algorithms for neural networks
Venue: Journal JMLR 2024
Year: 2024

We present a new class of Langevin based algorithms, which overcomes many of the known shortcomings of popular adaptive optimizers that are currently used for the fine tuning of deep learning models. Its underpinning theory relies on recent advances of Euler's polygonal approximations for stochastic differential equations (SDEs) with monotone coefficients. As a result, it inherits the stability properties of tamed algorithms, while it addresses other known issues, e.g. vanishing gradients in neural networks. In particular, we provide a nonasymptotic analysis and full theoretical guarantees for the convergence properties of an algorithm of this novel class, which we named TH$\varepsilon$O POULA (or, simply, TheoPouLa). Finally, several experiments are presented with different types of deep learning models, which show the superior performance of TheoPouLa over many popular adaptive optimization algorithms.
Personalized PCA: Decoupling Shared and Unique Features
Venue: Journal JMLR 2024
Year: 2024

In this paper, we tackle a significant challenge in PCA: heterogeneity. When data are collected from different sources with heterogeneous trends while still sharing some congruency, it is critical to extract shared knowledge while retaining the unique features of each source. To this end, we propose personalized PCA (PerPCA), which uses mutually orthogonal global and local principal components to encode both unique and shared features. We show that, under mild conditions, both unique and shared features can be identified and recovered by a constrained optimization problem, even if the covariance matrices are immensely different. Also, we design a fully federated algorithm inspired by distributed Stiefel gradient descent to solve the problem. The algorithm introduces a new group of operations called generalized retractions to handle orthogonality constraints, and only requires global PCs to be shared across sources. We prove the linear convergence of the algorithm under suitable assumptions. Comprehensive numerical experiments highlight PerPCA's superior performance in feature extraction and prediction from heterogeneous datasets. As a systematic approach to decouple shared and unique features from heterogeneous datasets, PerPCA finds applications in several tasks, including video segmentation, topic extraction, and feature clustering.
Scaled Conjugate Gradient Method for Nonconvex Optimization in Deep Neural Networks
Venue: Journal JMLR 2024
Year: 2024

A scaled conjugate gradient method that accelerates existing adaptive methods utilizing stochastic gradients is proposed for solving nonconvex optimization problems with deep neural networks. It is shown theoretically that, whether with constant or diminishing learning rates, the proposed method can obtain a stationary point of the problem. Additionally, its rate of convergence with diminishing learning rates is verified to be superior to that of the conjugate gradient method. The proposed method is shown to minimize training loss functions faster than the existing adaptive methods in practical applications of image and text classification. Furthermore, in the training of generative adversarial networks, one version of the proposed method achieved the lowest Frechet inception distance score among those of the adaptive methods.
On the Impact of Hard Adversarial Instances on Overfitting in Adversarial Training
Venue: Journal JMLR 2024
Year: 2024

Adversarial training is a popular method to robustify models against adversarial attacks. However, it exhibits much more severe overfitting than training on clean inputs. In this work, we investigate this phenomenon from the perspective of training instances, i.e., training input-target pairs. Based on a quantitative metric measuring the relative difficulty of an instance in the training set, we analyze the model's behavior on training instances of different difficulty levels. This lets us demonstrate that the decay in generalization performance of adversarial training is a result of fitting hard adversarial instances. We theoretically verify our observations for both linear and general nonlinear models, proving that models trained on hard instances have worse generalization performance than ones trained on easy instances, and that this generalization gap increases with the size of the adversarial budget. Finally, we investigate solutions to mitigate adversarial overfitting in several scenarios, including fast adversarial training and fine-tuning a pretrained model with additional data. Our results demonstrate that using training data adaptively improves the model's robustness.
Mean-Field Approximation of Cooperative Constrained Multi-Agent Reinforcement Learning (CMARL)
Venue: Journal JMLR 2024
Year: 2024

Mean-Field Control (MFC) has recently been proven to be a scalable tool to approximately solve large-scale multi-agent reinforcement learning (MARL) problems. However, these studies are typically limited to unconstrained cumulative reward maximization framework. In this paper, we show that one can use the MFC approach to approximate the MARL problem even in the presence of constraints. Specifically, we prove that, an $N$-agent constrained MARL problem, with state, and action spaces of each individual agents being of sizes $|\mathcal{X}|$, and $|\mathcal{U}|$ respectively, can be approximated by an associated constrained MFC problem with an error, $e\triangleq \mathcal{O}\left([\sqrt{|\mathcal{X}|}+\sqrt{|\mathcal{U}|}]/\sqrt{N}\right)$. In a special case where the reward, cost, and state transition functions are independent of the action distribution of the population, we prove that the error can be improved to $e=\mathcal{O}(\sqrt{|\mathcal{X}|}/\sqrt{N})$. Also, we provide a Natural Policy Gradient based algorithm and prove that it can solve the constrained MARL problem within an error of $\mathcal{O}(e)$ with a sample complexity of $\mathcal{O}(e^{-6})$.
On Causality in Domain Adaptation and Semi-Supervised Learning: an Information-Theoretic Analysis for Parametric Models
Venue: Journal JMLR 2024
Year: 2024

Recent advancements in unsupervised domain adaptation (UDA) and semi-supervised learning (SSL), particularly incorporating causality, have led to significant methodological improvements in these learning problems. However, a formal theory that explains the role of causality in the generalization performance of UDA/SSL is still lacking. In this paper, we consider the UDA/SSL scenarios where we access $m$ labelled source data and $n$ unlabelled target data as training instances under different causal settings with a parametric probabilistic model. We study the learning performance (e.g., excess risk) of prediction in the target domain from an information-theoretic perspective. Specifically, we distinguish two scenarios: the learning problem is called causal learning if the feature is the cause and the label is the effect, and is called anti-causal learning otherwise. We show that in causal learning, the excess risk depends on the size of the source sample at a rate of $O(\frac{1}{m})$ only if the labelling distribution between the source and target domains remains unchanged. In anti-causal learning, we show that the unlabelled data dominate the performance at a rate of typically $O(\frac{1}{n})$. These results bring out the relationship between the data sample size and the hardness of the learning problem with different causal mechanisms.
Optimal Clustering with Bandit Feedback
Venue: Journal JMLR 2024
Year: 2024

This paper considers the problem of online clustering with bandit feedback. A set of arms (or items) can be partitioned into various groups that are unknown. Within each group, the observations associated to each of the arms follow the same distribution with the same mean vector. At each time step, the agent queries or pulls an arm and obtains an independent observation from the distribution it is associated to. Subsequent pulls depend on previous ones as well as the previously obtained samples. The agent's task is to uncover the underlying partition of the arms with the least number of arm pulls and with a probability of error not exceeding a prescribed constant $δ$. The problem proposed finds numerous applications from clustering of variants of viruses to online market segmentation. We present an instance-dependent information-theoretic lower bound on the expected sample complexity for this task, and design a computationally efficient and asymptotically optimal algorithm, namely Bandit Online Clustering (BOC). The algorithm includes a novel stopping rule for adaptive sequential testing that circumvents the need to exactly solve any NP-hard weighted clustering problem as its subroutines. We show through extensive simulations on synthetic and real-world datasets that BOC's performance matches the lower bound asymptotically, and significantly outperforms a non-adaptive baseline algorithm.
Mathematical Framework for Online Social Media Auditing
Venue: Journal JMLR 2024
Year: 2024

Social media platforms (SMPs) leverage algorithmic filtering (AF) as a means of selecting the content that constitutes a user's feed with the aim of maximizing their rewards. Selectively choosing the contents to be shown on the user's feed may yield a certain extent of influence, either minor or major, on the user's decision-making, compared to what it would have been under a natural/fair content selection. As we have witnessed over the past decade, algorithmic filtering can cause detrimental side effects, ranging from biasing individual decisions to shaping those of society as a whole, for example, diverting users' attention from whether to get the COVID-19 vaccine or inducing the public to choose a presidential candidate. The government's constant attempts to regulate the adverse effects of AF are often complicated, due to bureaucracy, legal affairs, and financial considerations. On the other hand SMPs seek to monitor their own algorithmic activities to avoid being fined for exceeding the allowable threshold. In this paper, we mathematically formalize this framework and utilize it to construct a data-driven statistical auditing procedure to regulate AF from deflecting users' beliefs over time, along with sample complexity guarantees. This state-of-the-art algorithm can be used either by authorities acting as external regulators or by SMPs for self-auditing.