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Performative prediction is a framework accounting for the shift in the data distribution induced by the prediction of a model deployed in the real world. Ensuring rapid convergence to a stable solution where the data distribution remains the same after the model deployment is crucial, especially in evolving environments. This paper extends the Repeated Risk Minimization (RRM) framework by utilizing historical datasets from previous retraining snapshots, yielding a class of algorithms that we call Affine Risk Minimizers and enabling convergence to a performatively stable point for a broader class of problems. We introduce a new upper bound for methods that use only the final iteration of the dataset and prove for the first time the tightness of both this new bound and the previous existing bounds within the same regime. We also prove that utilizing historical datasets can surpass the lower bound for last iterate RRM, and empirically observe faster convergence to the stable point on various performative prediction benchmarks. We offer at the same time the first lower bound analysis for RRM within the class of Affine Risk Minimizers, quantifying the potential improvements in convergence speed that could be achieved with other variants in our framework.

Despite its widespread adoption, Adam's advantage over Stochastic Gradient Descent (SGD) lacks a comprehensive theoretical explanation. This paper investigates Adam's sensitivity to rotations of the parameter space. We demonstrate that Adam's performance in training transformers degrades under random rotations of the parameter space, indicating a crucial sensitivity to the choice of basis. This reveals that conventional rotation-invariant assumptions are insufficient to capture Adam's advantages theoretically. To better understand the rotation-dependent properties that benefit Adam, we also identify structured rotations that preserve or even enhance its empirical performance. We then examine the rotation-dependent assumptions in the literature, evaluating their adequacy in explaining Adam's behavior across various rotation types. This work highlights the need for new, rotation-dependent theoretical frameworks to fully understand Adam's empirical success in modern machine learning tasks.

Neural network training can be accelerated when a learnable update rule is used in lieu of classic adaptive optimizers (e.g. Adam). However, learnable update rules can be costly and unstable to train and use. Recently, Jang et al. (2023) proposed a simpler approach to accelerate training based on weight nowcaster networks (WNNs). In their approach, Adam is used for most of the optimization steps and periodically, only every few steps, a WNN nowcasts (predicts near future) parameters. We improve WNNs by proposing neuron interaction and nowcasting (NiNo) networks. In contrast to WNNs, NiNo leverages neuron connectivity and graph neural networks to more accurately nowcast parameters. We further show that in some networks, such as Transformers, modeling neuron connectivity accurately is challenging. We address this and other limitations, which allows NiNo to accelerate Adam training by up to 50% in vision and language tasks., Comment: added Llama3-based results and other updates, code is https://github.com/SamsungSAILMontreal/nino

Despite advancements in splicing detection, practitioners still struggle to fully leverage forensic tools from the literature due to a critical issue: deep learning-based detectors are extremely sensitive to their trained instances. Simple post-processing applied to evaluation images can easily decrease their performances, leading to a lack of confidence in splicing detectors for operational contexts. In this study, we show that a deep splicing detector behaves differently against unknown post-processes for different learned weights, even if it achieves similar performances on a test set from the same distribution as its training one. We connect this observation to the fact that different learnings create different latent spaces separating training samples differently. Our experiments reveal a strong correlation between the distributions of latent margins and the ability of the detector to generalize to post-processed images. We thus provide to the practitioner a way to build deep detectors that are more robust than others against post-processing operations, suggesting to train their architecture under different conditions and picking the one maximizing the latent space margin.

Agents often have individual goals which depend on a group's actions. If agents trust a forecast of collective action and adapt strategically, such prediction can influence outcomes non-trivially, resulting in a form of performative prediction. This effect is ubiquitous in scenarios ranging from pandemic predictions to election polls, but existing work has ignored interdependencies among predicted agents. As a first step in this direction, we study a collective risk dilemma where agents dynamically decide whether to trust predictions based on past accuracy. As predictions shape collective outcomes, social welfare arises naturally as a metric of concern. We explore the resulting interplay between accuracy and welfare, and demonstrate that searching for stable accurate predictions can minimize social welfare with high probability in our setting. By assuming knowledge of a Bayesian agent behavior model, we then show how to achieve better trade-offs and use them for mechanism design.

Constrained optimization offers a powerful framework to prescribe desired behaviors in neural network models. Typically, constrained problems are solved via their min-max Lagrangian formulations, which exhibit unstable oscillatory dynamics when optimized using gradient descent-ascent. The adoption of constrained optimization techniques in the machine learning community is currently limited by the lack of reliable, general-purpose update schemes for the Lagrange multipliers. This paper proposes the $\nu$PI algorithm and contributes an optimization perspective on Lagrange multiplier updates based on PI controllers, extending the work of Stooke, Achiam and Abbeel (2020). We provide theoretical and empirical insights explaining the inability of momentum methods to address the shortcomings of gradient descent-ascent, and contrast this with the empirical success of our proposed $\nu$PI controller. Moreover, we prove that $\nu$PI generalizes popular momentum methods for single-objective minimization. Our experiments demonstrate that $\nu$PI reliably stabilizes the multiplier dynamics and its hyperparameters enjoy robust and predictable behavior., Comment: Published at ICML 2024. Code available at https://github.com/motahareh-sohrabi/nuPI

This work introduces a novel principle for disentanglement we call mechanism sparsity regularization, which applies when the latent factors of interest depend sparsely on observed auxiliary variables and/or past latent factors. We propose a representation learning method that induces disentanglement by simultaneously learning the latent factors and the sparse causal graphical model that explains them. We develop a nonparametric identifiability theory that formalizes this principle and shows that the latent factors can be recovered by regularizing the learned causal graph to be sparse. More precisely, we show identifiablity up to a novel equivalence relation we call "consistency", which allows some latent factors to remain entangled (hence the term partial disentanglement). To describe the structure of this entanglement, we introduce the notions of entanglement graphs and graph preserving functions. We further provide a graphical criterion which guarantees complete disentanglement, that is identifiability up to permutations and element-wise transformations. We demonstrate the scope of the mechanism sparsity principle as well as the assumptions it relies on with several worked out examples. For instance, the framework shows how one can leverage multi-node interventions with unknown targets on the latent factors to disentangle them. We further draw connections between our nonparametric results and the now popular exponential family assumption. Lastly, we propose an estimation procedure based on variational autoencoders and a sparsity constraint and demonstrate it on various synthetic datasets. This work is meant to be a significantly extended version of Lachapelle et al. (2022)., Comment: 88 pages

Weight-sharing is ubiquitous in deep learning. Motivated by this, we propose a "weight-sharing regularization" penalty on the weights $w \in \mathbb{R}^d$ of a neural network, defined as $\mathcal{R}(w) = \frac{1}{d - 1}\sum_{i > j}^d |w_i - w_j|$. We study the proximal mapping of $\mathcal{R}$ and provide an intuitive interpretation of it in terms of a physical system of interacting particles. We also parallelize existing algorithms for $\operatorname{prox}_\mathcal{R}$ (to run on GPU) and find that one of them is fast in practice but slow ($O(d)$) for worst-case inputs. Using the physical interpretation, we design a novel parallel algorithm which runs in $O(\log^3 d)$ when sufficient processors are available, thus guaranteeing fast training. Our experiments reveal that weight-sharing regularization enables fully connected networks to learn convolution-like filters even when pixels have been shuffled while convolutional neural networks fail in this setting. Our code is available on github., Comment: Our code is available at https://github.com/motahareh-sohrabi/weight-sharing-regularization

Model pruning is a popular approach to enable the deployment of large deep learning models on edge devices with restricted computational or storage capacities. Although sparse models achieve performance comparable to that of their dense counterparts at the level of the entire dataset, they exhibit high accuracy drops for some data sub-groups. Existing methods to mitigate this disparate impact induced by pruning (i) rely on surrogate metrics that address the problem indirectly and have limited interpretability; or (ii) scale poorly with the number of protected sub-groups in terms of computational cost. We propose a constrained optimization approach that directly addresses the disparate impact of pruning: our formulation bounds the accuracy change between the dense and sparse models, for each sub-group. This choice of constraints provides an interpretable success criterion to determine if a pruned model achieves acceptable disparity levels. Experimental results demonstrate that our technique scales reliably to problems involving large models and hundreds of protected sub-groups., Comment: Published at ICLR 2024. Code available at https://github.com/merajhashemi/balancing-act

Adaptive gradient-based optimizers, notably Adam, have left their mark in training large-scale deep learning models, offering fast convergence and robustness to hyperparameter settings. However, they often struggle with generalization, attributed to their tendency to converge to sharp minima in the loss landscape. To address this, we propose a new memory-augmented version of Adam that encourages exploration towards flatter minima by incorporating a buffer of critical momentum terms during training. This buffer prompts the optimizer to overshoot beyond narrow minima, promoting exploration. Through comprehensive analysis in simple settings, we illustrate the efficacy of our approach in increasing exploration and bias towards flatter minima. We empirically demonstrate that it can improve model performance for image classification on ImageNet and CIFAR10/100, language modelling on Penn Treebank, and online learning tasks on TinyImageNet and 5-dataset. Our code is available at \url{https://github.com/chandar-lab/CMOptimizer}., Comment: Published in Transactions on Machine Learning Research

We tackle the problems of latent variables identification and ``out-of-support'' image generation in representation learning. We show that both are possible for a class of decoders that we call additive, which are reminiscent of decoders used for object-centric representation learning (OCRL) and well suited for images that can be decomposed as a sum of object-specific images. We provide conditions under which exactly solving the reconstruction problem using an additive decoder is guaranteed to identify the blocks of latent variables up to permutation and block-wise invertible transformations. This guarantee relies only on very weak assumptions about the distribution of the latent factors, which might present statistical dependencies and have an almost arbitrarily shaped support. Our result provides a new setting where nonlinear independent component analysis (ICA) is possible and adds to our theoretical understanding of OCRL methods. We also show theoretically that additive decoders can generate novel images by recombining observed factors of variations in novel ways, an ability we refer to as Cartesian-product extrapolation. We show empirically that additivity is crucial for both identifiability and extrapolation on simulated data., Comment: Appears in: Advances in Neural Information Processing Systems 37 (NeurIPS 2023). 39 pages

Disentanglement aims to recover meaningful latent ground-truth factors from the observed distribution solely, and is formalized through the theory of identifiability. The identifiability of independent latent factors is proven to be impossible in the unsupervised i.i.d. setting under a general nonlinear map from factors to observations. In this work, however, we demonstrate that it is possible to recover quantized latent factors under a generic nonlinear diffeomorphism. We only assume that the latent factors have independent discontinuities in their density, without requiring the factors to be statistically independent. We introduce this novel form of identifiability, termed quantized factor identifiability, and provide a comprehensive proof of the recovery of the quantized factors., Comment: Appears in: 3rd Conference on Causal Learning and Reasoning (CLeaR 2024). 39 pages

Ensemble methods combine the predictions of multiple models to improve performance, but they require significantly higher computation costs at inference time. To avoid these costs, multiple neural networks can be combined into one by averaging their weights. However, this usually performs significantly worse than ensembling. Weight averaging is only beneficial when different enough to benefit from combining them, but similar enough to average well. Based on this idea, we propose PopulAtion Parameter Averaging (PAPA): a method that combines the generality of ensembling with the efficiency of weight averaging. PAPA leverages a population of diverse models (trained on different data orders, augmentations, and regularizations) while slowly pushing the weights of the networks toward the population average of the weights. We also propose PAPA variants (PAPA-all, and PAPA-2) that average weights rarely rather than continuously; all methods increase generalization, but PAPA tends to perform best. PAPA reduces the performance gap between averaging and ensembling, increasing the average accuracy of a population of models by up to 0.8% on CIFAR-10, 1.9% on CIFAR-100, and 1.6% on ImageNet when compared to training independent (non-averaged) models., Comment: Blog post: https://ajolicoeur.wordpress.com/papa/, Code: https://github.com/SamsungSAILMontreal/PAPA, TMLR journal publication: https://openreview.net/forum?id=cPDVjsOytS

Pretraining a neural network on a large dataset is becoming a cornerstone in machine learning that is within the reach of only a few communities with large-resources. We aim at an ambitious goal of democratizing pretraining. Towards that goal, we train and release a single neural network that can predict high quality ImageNet parameters of other neural networks. By using predicted parameters for initialization we are able to boost training of diverse ImageNet models available in PyTorch. When transferred to other datasets, models initialized with predicted parameters also converge faster and reach competitive final performance., Comment: ICML 2023, camera ready (7 tables with extra results added), code and models are at https://github.com/SamsungSAILMontreal/ghn3

Slot attention is a powerful method for object-centric modeling in images and videos. However, its set-equivariance limits its ability to handle videos with a dynamic number of objects because it cannot break ties. To overcome this limitation, we first establish a connection between slot attention and optimal transport. Based on this new perspective we propose MESH (Minimize Entropy of Sinkhorn): a cross-attention module that combines the tiebreaking properties of unregularized optimal transport with the speed of regularized optimal transport. We evaluate slot attention using MESH on multiple object-centric learning benchmarks and find significant improvements over slot attention in every setting., Comment: Published at International Conference on Machine Learning (ICML) 2023

We approach the problem of improving robustness of deep learning algorithms in the presence of label noise. Building upon existing label correction and co-teaching methods, we propose a novel training procedure to mitigate the memorization of noisy labels, called CrossSplit, which uses a pair of neural networks trained on two disjoint parts of the labelled dataset. CrossSplit combines two main ingredients: (i) Cross-split label correction. The idea is that, since the model trained on one part of the data cannot memorize example-label pairs from the other part, the training labels presented to each network can be smoothly adjusted by using the predictions of its peer network; (ii) Cross-split semi-supervised training. A network trained on one part of the data also uses the unlabeled inputs of the other part. Extensive experiments on CIFAR-10, CIFAR-100, Tiny-ImageNet and mini-WebVision datasets demonstrate that our method can outperform the current state-of-the-art in a wide range of noise ratios., Comment: Accepted to ICML 2023

Although disentangled representations are often said to be beneficial for downstream tasks, current empirical and theoretical understanding is limited. In this work, we provide evidence that disentangled representations coupled with sparse base-predictors improve generalization. In the context of multi-task learning, we prove a new identifiability result that provides conditions under which maximally sparse base-predictors yield disentangled representations. Motivated by this theoretical result, we propose a practical approach to learn disentangled representations based on a sparsity-promoting bi-level optimization problem. Finally, we explore a meta-learning version of this algorithm based on group Lasso multiclass SVM base-predictors, for which we derive a tractable dual formulation. It obtains competitive results on standard few-shot classification benchmarks, while each task is using only a fraction of the learned representations., Comment: Appears in: Fortieth International Conference on Machine Learning (ICML 2023). 36 pages

The performance of trained neural networks is robust to harsh levels of pruning. Coupled with the ever-growing size of deep learning models, this observation has motivated extensive research on learning sparse models. In this work, we focus on the task of controlling the level of sparsity when performing sparse learning. Existing methods based on sparsity-inducing penalties involve expensive trial-and-error tuning of the penalty factor, thus lacking direct control of the resulting model sparsity. In response, we adopt a constrained formulation: using the gate mechanism proposed by Louizos et al. (2018), we formulate a constrained optimization problem where sparsification is guided by the training objective and the desired sparsity target in an end-to-end fashion. Experiments on CIFAR-{10, 100}, TinyImageNet, and ImageNet using WideResNet and ResNet{18, 50} models validate the effectiveness of our proposal and demonstrate that we can reliably achieve pre-determined sparsity targets without compromising on predictive performance., Comment: NeurIPS 2022 - Code available at https://github.com/gallego-posada/constrained_sparsity

Disentanglement via mechanism sparsity was introduced recently as a principled approach to extract latent factors without supervision when the causal graph relating them in time is sparse, and/or when actions are observed and affect them sparsely. However, this theory applies only to ground-truth graphs satisfying a specific criterion. In this work, we introduce a generalization of this theory which applies to any ground-truth graph and specifies qualitatively how disentangled the learned representation is expected to be, via a new equivalence relation over models we call consistency. This equivalence captures which factors are expected to remain entangled and which are not based on the specific form of the ground-truth graph. We call this weaker form of identifiability partial disentanglement. The graphical criterion that allows complete disentanglement, proposed in an earlier work, can be derived as a special case of our theory. Finally, we enforce graph sparsity with constrained optimization and illustrate our theory and algorithm in simulations., Comment: Appears in: The First Workshop on Causal Representation Learning (CRL 2022) at UAI. 26 pages

Recently, Loizou et al. (2021), proposed and analyzed stochastic gradient descent (SGD) with stochastic Polyak stepsize (SPS). The proposed SPS comes with strong convergence guarantees and competitive performance; however, it has two main drawbacks when it is used in non-over-parameterized regimes: (i) It requires a priori knowledge of the optimal mini-batch losses, which are not available when the interpolation condition is not satisfied (e.g., regularized objectives), and (ii) it guarantees convergence only to a neighborhood of the solution. In this work, we study the dynamics and the convergence properties of SGD equipped with new variants of the stochastic Polyak stepsize and provide solutions to both drawbacks of the original SPS. We first show that a simple modification of the original SPS that uses lower bounds instead of the optimal function values can directly solve issue (i). On the other hand, solving issue (ii) turns out to be more challenging and leads us to valuable insights into the method's behavior. We show that if interpolation is not satisfied, the correlation between SPS and stochastic gradients introduces a bias, which effectively distorts the expectation of the gradient signal near minimizers, leading to non-convergence - even if the stepsize is scaled down during training. To fix this issue, we propose DecSPS, a novel modification of SPS, which guarantees convergence to the exact minimizer - without a priori knowledge of the problem parameters. For strongly-convex optimization problems, DecSPS is the first stochastic adaptive optimization method that converges to the exact solution without restrictive assumptions like bounded iterates/gradients., Comment: Accepted at NeurIPS 2022 v4: tiny mistake in the main proof (result unchanged) is now fixed, v5: confusing typo fixed

Structured pruning is an effective approach for compressing large pre-trained neural networks without significantly affecting their performance. However, most current structured pruning methods do not provide any performance guarantees, and often require fine-tuning, which makes them inapplicable in the limited-data regime. We propose a principled data-efficient structured pruning method based on submodular optimization. In particular, for a given layer, we select neurons/channels to prune and corresponding new weights for the next layer, that minimize the change in the next layer's input induced by pruning. We show that this selection problem is a weakly submodular maximization problem, thus it can be provably approximated using an efficient greedy algorithm. Our method is guaranteed to have an exponentially decreasing error between the original model and the pruned model outputs w.r.t the pruned size, under reasonable assumptions. It is also one of the few methods in the literature that uses only a limited-number of training data and no labels. Our experimental results demonstrate that our method outperforms state-of-the-art methods in the limited-data regime.

In Bayesian structure learning, we are interested in inferring a distribution over the directed acyclic graph (DAG) structure of Bayesian networks, from data. Defining such a distribution is very challenging, due to the combinatorially large sample space, and approximations based on MCMC are often required. Recently, a novel class of probabilistic models, called Generative Flow Networks (GFlowNets), have been introduced as a general framework for generative modeling of discrete and composite objects, such as graphs. In this work, we propose to use a GFlowNet as an alternative to MCMC for approximating the posterior distribution over the structure of Bayesian networks, given a dataset of observations. Generating a sample DAG from this approximate distribution is viewed as a sequential decision problem, where the graph is constructed one edge at a time, based on learned transition probabilities. Through evaluation on both simulated and real data, we show that our approach, called DAG-GFlowNet, provides an accurate approximation of the posterior over DAGs, and it compares favorably against other methods based on MCMC or variational inference.

Most set prediction models in deep learning use set-equivariant operations, but they actually operate on multisets. We show that set-equivariant functions cannot represent certain functions on multisets, so we introduce the more appropriate notion of multiset-equivariance. We identify that the existing Deep Set Prediction Network (DSPN) can be multiset-equivariant without being hindered by set-equivariance and improve it with approximate implicit differentiation, allowing for better optimization while being faster and saving memory. In a range of toy experiments, we show that the perspective of multiset-equivariance is beneficial and that our changes to DSPN achieve better results in most cases. On CLEVR object property prediction, we substantially improve over the state-of-the-art Slot Attention from 8% to 77% in one of the strictest evaluation metrics because of the benefits made possible by implicit differentiation., Comment: Published at International Conference on Learning Representations (ICLR) 2022

We consider the problem of upper bounding the expected log-likelihood sub-optimality of the maximum likelihood estimate (MLE), or a conjugate maximum a posteriori (MAP) for an exponential family, in a non-asymptotic way. Surprisingly, we found no general solution to this problem in the literature. In particular, current theories do not hold for a Gaussian or in the interesting few samples regime. After exhibiting various facets of the problem, we show we can interpret the MAP as running stochastic mirror descent (SMD) on the log-likelihood. However, modern convergence results do not apply for standard examples of the exponential family, highlighting holes in the convergence literature. We believe solving this very fundamental problem may bring progress to both the statistics and optimization communities., Comment: 9 pages and 3 figures + Appendix

Labeling data is often expensive and time-consuming, especially for tasks such as object detection and instance segmentation, which require dense labeling of the image. While few-shot object detection is about training a model on novel (unseen) object classes with little data, it still requires prior training on many labeled examples of base (seen) classes. On the other hand, self-supervised methods aim at learning representations from unlabeled data which transfer well to downstream tasks such as object detection. Combining few-shot and self-supervised object detection is a promising research direction. In this survey, we review and characterize the most recent approaches on few-shot and self-supervised object detection. Then, we give our main takeaways and discuss future research directions. Project page at https://gabrielhuang.github.io/fsod-survey/, Comment: To appear in IEEE Transactions on Pattern Analysis and Machine Intelligence. Awesome Few-Shot Object Detection (Leaderboard) at https://github.com/gabrielhuang/awesome-few-shot-object-detection

This work introduces a novel principle we call disentanglement via mechanism sparsity regularization, which can be applied when the latent factors of interest depend sparsely on past latent factors and/or observed auxiliary variables. We propose a representation learning method that induces disentanglement by simultaneously learning the latent factors and the sparse causal graphical model that relates them. We develop a rigorous identifiability theory, building on recent nonlinear independent component analysis (ICA) results, that formalizes this principle and shows how the latent variables can be recovered up to permutation if one regularizes the latent mechanisms to be sparse and if some graph connectivity criterion is satisfied by the data generating process. As a special case of our framework, we show how one can leverage unknown-target interventions on the latent factors to disentangle them, thereby drawing further connections between ICA and causality. We propose a VAE-based method in which the latent mechanisms are learned and regularized via binary masks, and validate our theory by showing it learns disentangled representations in simulations., Comment: Appears in: 1st Conference on Causal Learning and Reasoning (CLeaR 2022). 57 pages

Renewable energy technologies including solar and wind inevitably play a leading role in meeting the growing demand for a decarbonized and clean power grid. However, these technologies are highly dependent of meteorological conditions of power plant site and the challenge remains on how to cope with their short-term and momentarily variability. This paper presents a hierarchical control system to provide ancillary services from a solar PV power plant to the grid without the need for additional non-solar resources. With coordinated management of each inverter in the system, the control system commands the power plant to proactively curtail a fraction of its instantaneous maximum power potential, which gives the plant enough headroom to ramp up or down power production from the overall power plant, for a service such as regulation reserve, even under changing cloud cover conditions. A case study from a site in Hawaii with one-second resolution solar irradiance data is used to verify the efficacy of the proposed control system. The algorithm is subsequently compared with an alternative control technology from the literature, the grouping control algorithm; the results show that the proposed hierarchical control system is over 10 times more effective in reducing generator mileage to support power fluctuations from solar PV power plants.

Two of the most prominent algorithms for solving unconstrained smooth games are the classical stochastic gradient descent-ascent (SGDA) and the recently introduced stochastic consensus optimization (SCO) [Mescheder et al., 2017]. SGDA is known to converge to a stationary point for specific classes of games, but current convergence analyses require a bounded variance assumption. SCO is used successfully for solving large-scale adversarial problems, but its convergence guarantees are limited to its deterministic variant. In this work, we introduce the expected co-coercivity condition, explain its benefits, and provide the first last-iterate convergence guarantees of SGDA and SCO under this condition for solving a class of stochastic variational inequality problems that are potentially non-monotone. We prove linear convergence of both methods to a neighborhood of the solution when they use constant step-size, and we propose insightful stepsize-switching rules to guarantee convergence to the exact solution. In addition, our convergence guarantees hold under the arbitrary sampling paradigm, and as such, we give insights into the complexity of minibatching., Comment: 35th Conference on Neural Information Processing Systems (NeurIPS 2021)

Motivated by the needs from an airline crew scheduling application, we introduce structured convolutional kernel networks (Struct-CKN), which combine CKNs from Mairal et al. (2014) in a structured prediction framework that supports constraints on the outputs. CKNs are a particular kind of convolutional neural networks that approximate a kernel feature map on training data, thus combining properties of deep learning with the non-parametric flexibility of kernel methods. Extending CKNs to structured outputs allows us to obtain useful initial solutions on a flight-connection dataset that can be further refined by an airline crew scheduling solver. More specifically, we use a flight-based network modeled as a general conditional random field capable of incorporating local constraints in the learning process. Our experiments demonstrate that this approach yields significant improvements for the large-scale crew pairing problem (50,000 flights per month) over standard approaches, reducing the solution cost by 17% (a gain of millions of dollars) and the cost of global constraints by 97%., Comment: ICML 2021 (Proceedings of the 38th International Conference on Machine Learning, PMLR 139:11626-11636)

Model-agnostic meta-learning (MAML) is a popular method for few-shot learning but assumes that we have access to the meta-training set. In practice, training on the meta-training set may not always be an option due to data privacy concerns, intellectual property issues, or merely lack of computing resources. In this paper, we consider the novel problem of repurposing pretrained MAML checkpoints to solve new few-shot classification tasks. Because of the potential distribution mismatch, the original MAML steps may no longer be optimal. Therefore we propose an alternative meta-testing procedure and combine MAML gradient steps with adversarial training and uncertainty-based stepsize adaptation. Our method outperforms "vanilla" MAML on same-domain and cross-domains benchmarks using both SGD and Adam optimizers and shows improved robustness to the choice of base stepsize., Comment: Appears in: Proceedings of the Ninth International Conference on Learning Representations (ICLR 2021). 20 pages

Adversarial attacks expose important vulnerabilities of deep learning models, yet little attention has been paid to settings where data arrives as a stream. In this paper, we formalize the online adversarial attack problem, emphasizing two key elements found in real-world use-cases: attackers must operate under partial knowledge of the target model, and the decisions made by the attacker are irrevocable since they operate on a transient data stream. We first rigorously analyze a deterministic variant of the online threat model by drawing parallels to the well-studied $k$-secretary problem in theoretical computer science and propose Virtual+, a simple yet practical online algorithm. Our main theoretical result shows Virtual+ yields provably the best competitive ratio over all single-threshold algorithms for $k<5$ -- extending the previous analysis of the $k$-secretary problem. We also introduce the \textit{stochastic $k$-secretary} -- effectively reducing online blackbox transfer attacks to a $k$-secretary problem under noise -- and prove theoretical bounds on the performance of Virtual+ adapted to this setting. Finally, we complement our theoretical results by conducting experiments on MNIST, CIFAR-10, and Imagenet classifiers, revealing the necessity of online algorithms in achieving near-optimal performance and also the rich interplay between attack strategies and online attack selection, enabling simple strategies like FGSM to outperform stronger adversaries., Comment: ICLR 2022

Variance reduction (VR) methods for finite-sum minimization typically require the knowledge of problem-dependent constants that are often unknown and difficult to estimate. To address this, we use ideas from adaptive gradient methods to propose AdaSVRG, which is a more robust variant of SVRG, a common VR method. AdaSVRG uses AdaGrad in the inner loop of SVRG, making it robust to the choice of step-size. When minimizing a sum of n smooth convex functions, we prove that a variant of AdaSVRG requires $\tilde{O}(n + 1/\epsilon)$ gradient evaluations to achieve an $O(\epsilon)$-suboptimality, matching the typical rate, but without needing to know problem-dependent constants. Next, we leverage the properties of AdaGrad to propose a heuristic that adaptively determines the length of each inner-loop in AdaSVRG. Via experiments on synthetic and real-world datasets, we validate the robustness and effectiveness of AdaSVRG, demonstrating its superior performance over standard and other "tune-free" VR methods.

Mirror-prox (MP) is a well-known algorithm to solve variational inequality (VI) problems. VI with a monotone operator covers a large group of settings such as convex minimization, min-max or saddle point problems. To get a convergent algorithm, the step-size of the classic MP algorithm relies heavily on the problem dependent knowledge of the operator such as its smoothness parameter which is hard to estimate. Recently, a universal variant of MP for smooth/bounded operators has been introduced that depends only on the norm of updates in MP. In this work, we relax the dependence to evaluating the norm of updates to Bregman divergence between updates. This relaxation allows us to extends the analysis of universal MP to the settings where the operator is not smooth or bounded. Furthermore, we analyse the VI problem with a stochastic monotone operator in different settings and obtain an optimal rate up to a logarithmic factor.

Recently, structure learning of directed acyclic graphs (DAGs) has been formulated as a continuous optimization problem by leveraging an algebraic characterization of acyclicity. The constrained problem is solved using the augmented Lagrangian method (ALM) which is often preferred to the quadratic penalty method (QPM) by virtue of its standard convergence result that does not require the penalty coefficient to go to infinity, hence avoiding ill-conditioning. However, the convergence properties of these methods for structure learning, including whether they are guaranteed to return a DAG solution, remain unclear, which might limit their practical applications. In this work, we examine the convergence of ALM and QPM for structure learning in the linear, nonlinear, and confounded cases. We show that the standard convergence result of ALM does not hold in these settings, and demonstrate empirically that its behavior is akin to that of the QPM which is prone to ill-conditioning. We further establish the convergence guarantee of QPM to a DAG solution, under mild conditions. Lastly, we connect our theoretical results with existing approaches to help resolve the convergence issue, and verify our findings in light of an empirical comparison of them., Comment: AISTATS 2022. A preliminary version of this paper was presented at the NeurIPS 2020 Workshop on Causal Discovery and Causality-Inspired Machine Learning. The code is available at https://github.com/ignavierng/notears-convergence

It is known that the Frank-Wolfe (FW) algorithm, which is affine-covariant, enjoys accelerated convergence rates when the constraint set is strongly convex. However, these results rely on norm-dependent assumptions, usually incurring non-affine invariant bounds, in contradiction with FW's affine-covariant property. In this work, we introduce new structural assumptions on the problem (such as the directional smoothness) and derive an affine invariant, norm-independent analysis of Frank-Wolfe. Based on our analysis, we propose an affine invariant backtracking line-search. Interestingly, we show that typical backtracking line-searches using smoothness of the objective function surprisingly converge to an affine invariant step size, despite using affine-dependent norms in the step size's computation. This indicates that we do not necessarily need to know the set's structure in advance to enjoy the affine-invariant accelerated rate.

The crew pairing problem (CPP) is generally modelled as a set partitioning problem where the flights have to be partitioned in pairings. A pairing is a sequence of flight legs separated by connection time and rest periods that starts and ends at the same base. Because of the extensive list of complex rules and regulations, determining whether a sequence of flights constitutes a feasible pairing can be quite difficult by itself, making CPP one of the hardest of the airline planning problems. In this paper, we first propose to improve the prototype Baseline solver of Desaulniers et al. (2020) by adding dynamic control strategies to obtain an efficient solver for large-scale CPPs: Commercial-GENCOL-DCA. These solvers are designed to aggregate the flights covering constraints to reduce the size of the problem. Then, we use machine learning (ML) to produce clusters of flights having a high probability of being performed consecutively by the same crew. The solver combines several advanced Operations Research techniques to assemble and modify these clusters, when necessary, to produce a good solution. We show, on monthly CPPs with up to 50 000 flights, that Commercial-GENCOL-DCA with clusters produced by ML-based heuristics outperforms Baseline fed by initial clusters that are pairings of a solution obtained by rolling horizon with GENCOL. The reduction of solution cost averages between 6.8% and 8.52%, which is mainly due to the reduction in the cost of global constraints between 69.79% and 78.11%., Comment: First publication in the "Cahiers du GERAD" series in February 2020. Submitted to EURO Journal on Transportation and Logistics on January 17, 2020 and available online on September 2, 2020

We present a case study of using machine learning classification algorithms to initialize a large-scale commercial solver (GENCOL) based on column generation in the context of the airline crew pairing problem, where small savings of as little as 1% translate to increasing annual revenue by dozens of millions of dollars in a large airline. Under the imitation learning framework, we focus on the problem of predicting the next connecting flight of a crew, framed as a multiclass classification problem trained from historical data, and design an adapted neural network approach that achieves high accuracy (99.7% overall or 82.5% on harder instances). We demonstrate the usefulness of our approach by using simple heuristics to combine the flight-connection predictions to form initial crew-pairing clusters that can be fed in the GENCOL solver, yielding a 10x speed improvement and up to 0.2% cost saving., Comment: First publication on the "Cahiers du GERAD" series in April 2019

We approach the problem of implicit regularization in deep learning from a geometrical viewpoint. We highlight a regularization effect induced by a dynamical alignment of the neural tangent features introduced by Jacot et al, along a small number of task-relevant directions. This can be interpreted as a combined mechanism of feature selection and compression. By extrapolating a new analysis of Rademacher complexity bounds for linear models, we motivate and study a heuristic complexity measure that captures this phenomenon, in terms of sequences of tangent kernel classes along optimization paths., Comment: AISTATS 2021

The success of adversarial formulations in machine learning has brought renewed motivation for smooth games. In this work, we focus on the class of stochastic Hamiltonian methods and provide the first convergence guarantees for certain classes of stochastic smooth games. We propose a novel unbiased estimator for the stochastic Hamiltonian gradient descent (SHGD) and highlight its benefits. Using tools from the optimization literature we show that SHGD converges linearly to the neighbourhood of a stationary point. To guarantee convergence to the exact solution, we analyze SHGD with a decreasing step-size and we also present the first stochastic variance reduced Hamiltonian method. Our results provide the first global non-asymptotic last-iterate convergence guarantees for the class of stochastic unconstrained bilinear games and for the more general class of stochastic games that satisfy a "sufficiently bilinear" condition, notably including some non-convex non-concave problems. We supplement our analysis with experiments on stochastic bilinear and sufficiently bilinear games, where our theory is shown to be tight, and on simple adversarial machine learning formulations., Comment: ICML 2020 - Proceedings of the 37th International Conference on Machine Learning

Learning a causal directed acyclic graph from data is a challenging task that involves solving a combinatorial problem for which the solution is not always identifiable. A new line of work reformulates this problem as a continuous constrained optimization one, which is solved via the augmented Lagrangian method. However, most methods based on this idea do not make use of interventional data, which can significantly alleviate identifiability issues. This work constitutes a new step in this direction by proposing a theoretically-grounded method based on neural networks that can leverage interventional data. We illustrate the flexibility of the continuous-constrained framework by taking advantage of expressive neural architectures such as normalizing flows. We show that our approach compares favorably to the state of the art in a variety of settings, including perfect and imperfect interventions for which the targeted nodes may even be unknown., Comment: Appears in: Advances in Neural Information Processing Systems 34 (NeurIPS 2020). 46 pages

The existence of adversarial examples capable of fooling trained neural network classifiers calls for a much better understanding of possible attacks to guide the development of safeguards against them. This includes attack methods in the challenging non-interactive blackbox setting, where adversarial attacks are generated without any access, including queries, to the target model. Prior attacks in this setting have relied mainly on algorithmic innovations derived from empirical observations (e.g., that momentum helps), lacking principled transferability guarantees. In this work, we provide a theoretical foundation for crafting transferable adversarial examples to entire hypothesis classes. We introduce Adversarial Example Games (AEG), a framework that models the crafting of adversarial examples as a min-max game between a generator of attacks and a classifier. AEG provides a new way to design adversarial examples by adversarially training a generator and a classifier from a given hypothesis class (e.g., architecture). We prove that this game has an equilibrium, and that the optimal generator is able to craft adversarial examples that can attack any classifier from the corresponding hypothesis class. We demonstrate the efficacy of AEG on the MNIST and CIFAR-10 datasets, outperforming prior state-of-the-art approaches with an average relative improvement of $29.9\%$ and $47.2\%$ against undefended and robust models (Table 2 & 3) respectively., Comment: Appears in: Advances in Neural Information Processing Systems 33 (NeurIPS 2020)

Adaptive gradient methods are typically used for training over-parameterized models. To better understand their behaviour, we study a simplistic setting -- smooth, convex losses with models over-parameterized enough to interpolate the data. In this setting, we prove that AMSGrad with constant step-size and momentum converges to the minimizer at a faster $O(1/T)$ rate. When interpolation is only approximately satisfied, constant step-size AMSGrad converges to a neighbourhood of the solution at the same rate, while AdaGrad is robust to the violation of interpolation. However, even for simple convex problems satisfying interpolation, the empirical performance of both methods heavily depends on the step-size and requires tuning, questioning their adaptivity. We alleviate this problem by automatically determining the step-size using stochastic line-search or Polyak step-sizes. With these techniques, we prove that both AdaGrad and AMSGrad retain their convergence guarantees, without needing to know problem-dependent constants. Empirically, we demonstrate that these techniques improve the convergence and generalization of adaptive gradient methods across tasks, from binary classification with kernel mappings to multi-class classification with deep networks.

We study the implicit regularization of optimization methods for linear models interpolating the training data in the under-parametrized and over-parametrized regimes. Since it is difficult to determine whether an optimizer converges to solutions that minimize a known norm, we flip the problem and investigate what is the corresponding norm minimized by an interpolating solution. Using this reasoning, we prove that for over-parameterized linear regression, projections onto linear spans can be used to move between different interpolating solutions. For under-parameterized linear classification, we prove that for any linear classifier separating the data, there exists a family of quadratic norms ||.||_P such that the classifier's direction is the same as that of the maximum P-margin solution. For linear classification, we argue that analyzing convergence to the standard maximum l2-margin is arbitrary and show that minimizing the norm induced by the data results in better generalization. Furthermore, for over-parameterized linear classification, projections onto the data-span enable us to use techniques from the under-parameterized setting. On the empirical side, we propose techniques to bias optimizers towards better generalizing solutions, improving their test performance. We validate our theoretical results via synthetic experiments, and use the neural tangent kernel to handle non-linear models.

Consider a collection of datasets generated by unknown interventions on an unknown structural causal model $G$. Recently, Bengio et al. (2020) conjectured that among all candidate models, $G$ is the fastest to adapt from one dataset to another, along with promising experiments. Indeed, intuitively $G$ has less mechanisms to adapt, but this justification is incomplete. Our contribution is a more thorough analysis of this hypothesis. We investigate the adaptation speed of cause-effect SCMs. Using convergence rates from stochastic optimization, we justify that a relevant proxy for adaptation speed is distance in parameter space after intervention. Applying this proxy to categorical and normal cause-effect models, we show two results. When the intervention is on the cause variable, the SCM with the correct causal direction is advantaged by a large factor. When the intervention is on the effect variable, we characterize the relative adaptation speed. Surprisingly, we find situations where the anticausal model is advantaged, falsifying the initial hypothesis. Code to reproduce experiments is available at https://github.com/remilepriol/causal-adaptation-speed, Comment: Published at AISTATS 2021. 10 pages main articles, 19 pages supplement, 10 figures

We propose a stochastic variant of the classical Polyak step-size (Polyak, 1987) commonly used in the subgradient method. Although computing the Polyak step-size requires knowledge of the optimal function values, this information is readily available for typical modern machine learning applications. Consequently, the proposed stochastic Polyak step-size (SPS) is an attractive choice for setting the learning rate for stochastic gradient descent (SGD). We provide theoretical convergence guarantees for SGD equipped with SPS in different settings, including strongly convex, convex and non-convex functions. Furthermore, our analysis results in novel convergence guarantees for SGD with a constant step-size. We show that SPS is particularly effective when training over-parameterized models capable of interpolating the training data. In this setting, we prove that SPS enables SGD to converge to the true solution at a fast rate without requiring the knowledge of any problem-dependent constants or additional computational overhead. We experimentally validate our theoretical results via extensive experiments on synthetic and real datasets. We demonstrate the strong performance of SGD with SPS compared to state-of-the-art optimization methods when training over-parameterized models., Comment: Proceedings of the 24th International Conference on Artificial Intelligence and Statistics (AISTATS) 2021