Following its success for vision and text, the "foundation model" (FM) paradigm—pretraining large models on massive data, then fine-tuning on target tasks—has rapidly expanded to domains in the sciences, engineering, healthcare, and beyond. Has this achieved what the original FMs accomplished, i.e. the supplanting of traditional supervised learning in their domains? To answer we look at three modalities—genomics, satellite imaging, and time series—with multiple recent FMs and compare them to a standard supervised learning workflow: model development, hyperparameter tuning, and training, all using only data from the target task. Across these three specialized domains, we find that it is consistently possible to train simple supervised models—no more complicated than a lightly modified wide ResNet or UNet—that match or even outperform the latest foundation models. Our work demonstrates that the benefits of large-scale pretraining have yet to be realized in many specialized areas, reinforces the need to compare new FMs to strong, well-tuned baselines, and introduces two new, easy-to-use, open-source, and automated workflows for doing so.

Solving a linear system ${\bf Ax}={\bf b}$ is a fundamental scientific computing primitive for which numerous solvers and preconditioners have been developed. These come with parameters whose optimal values depend on the system being solved and are often impossible or too expensive to identify; thus in practice sub-optimal heuristics are used. We consider the common setting in which many related linear systems need to be solved, e.g. during a single numerical simulation. In this scenario, can we sequentially choose parameters that attain a near-optimal overall number of iterations, without extra matrix computations? We answer in the affirmative for Successive Over-Relaxation (SOR), a standard solver whose parameter $\omega$ has a strong impact on its runtime. For this method, we prove that a bandit online learning algorithm—using only the number of iterations as feedback—can select parameters for a sequence of instances such that the overall cost approaches that of the best fixed $\omega$ as the sequence length increases. Furthermore, when given additional structural information, we show that a _contextual_ bandit method asymptotically achieves the performance of the _instance-optimal_ policy, which selects the best $\omega$ for each instance. Our work provides the first learning-theoretic treatment of high-precision linear system solvers and the first end-to-end guarantees for data-driven scientific computing, demonstrating theoretically the potential to speed up numerical methods using well-understood learning algorithms.

When applying differential privacy to sensitive data, we can often improve performance using external information such as other sensitive data, public data, or human priors. We propose to use the learning-augmented algorithms (or algorithms with predictions) framework---previously applied largely to improve time complexity or competitive ratios---as a powerful way of designing and analyzing privacy-preserving methods that can take advantage of such external information to improve utility. This idea is instantiated on the important task of multiple quantile release, for which we derive error guarantees that scale with a natural measure of prediction quality while (almost) recovering state-of-the-art prediction-independent guarantees. Our analysis enjoys several advantages, including minimal assumptions about the data, a natural way of adding robustness, and the provision of useful surrogate losses for two novel ''meta'' algorithms that learn predictions from other (potentially sensitive) data. We conclude with experiments on challenging tasks demonstrating that learning predictions across one or more instances can lead to large error reductions while preserving privacy.

Fine-tuning large-scale pretrained models has led to tremendous progress in well-studied modalities such as vision and NLP. However, similar gains have not been observed in many other modalities due to a lack of relevant pretrained models. In this work, we propose ORCA, a general cross-modal fine-tuning framework that extends the applicability of a single large-scale pretrained model to diverse modalities. ORCA adapts to a target task via an align-then-refine workflow: given the target input, ORCA first learns an embedding network that aligns the embedded feature distribution with the pretraining modality. The pretrained model is then fine-tuned on the embedded data to exploit the knowledge shared across modalities. Through extensive experiments, we show that ORCA obtains state-of-the-art results on 3 benchmarks containing over 60 datasets from 12 modalities, outperforming a wide range of hand-designed, AutoML, general-purpose, and task-specific cross-modal methods. We highlight the importance of data alignment via a series of ablation studies and exemplify ORCA's utility in data-limited regimes.

While neural architecture search (NAS) has enabled automated machine learning (AutoML) for well-researched areas, its application to tasks beyond computer vision is still under-explored. As less-studied domains are precisely those where we expect AutoML to have the greatest impact, in this work we study NAS for efficiently solving diverse problems. Seeking an approach that is fast, simple, and broadly applicable, we fix a standard convolutional network (CNN) topology and propose to search for the right kernel sizes and dilations its operations should take on. This dramatically expands the model's capacity to extract features at multiple resolutions for different types of data while only requiring search over the operation space. To overcome the efficiency challenges of naive weight-sharing in this search space, we introduce DASH, a differentiable NAS algorithm that computes the mixture-of-operations using the Fourier diagonalization of convolution, achieving both a better asymptotic complexity and an up-to-10x search time speedup in practice. We evaluate DASH on ten tasks spanning a variety of application domains such as PDE solving, protein folding, and heart disease detection. DASH outperforms state-of-the-art AutoML methods in aggregate, attaining the best-known automated performance on seven tasks. Meanwhile, on six of the ten tasks, the combined search and retraining time is less than 2x slower than simply training a CNN backbone that is far less accurate.

Most existing neural architecture search (NAS) benchmarks and algorithms prioritize well-studied tasks, e.g. image classification on CIFAR or ImageNet. This makes the performance of NAS approaches in more diverse areas poorly understood. In this paper, we present NAS-Bench-360, a benchmark suite to evaluate methods on domains beyond those traditionally studied in architecture search, and use it to address the following question: do state-of-the-art NAS methods perform well on diverse tasks? To construct the benchmark, we curate ten tasks spanning a diverse array of application domains, dataset sizes, problem dimensionalities, and learning objectives. Each task is carefully chosen to interoperate with modern CNN-based search methods while possibly being far-afield from its original development domain. To speed up and reduce the cost of NAS research, for two of the tasks we release the precomputed performance of 15,625 architectures comprising a standard CNN search space. Experimentally, we show the need for more robust NAS evaluation of the kind NAS-Bench-360 enables by showing that several modern NAS procedures perform inconsistently across the ten tasks, with many catastrophically poor results. We also demonstrate how NAS-Bench-360 and its associated precomputed results will enable future scientific discoveries by testing whether several recent hypotheses promoted in the NAS literature hold on diverse tasks. NAS-Bench-360 is hosted at https://nb360.ml.cmu.edu.

We analyze the meta-learning of the initialization and step-size of learning algorithms for piecewise-Lipschitz functions, a non-convex setting with applications to both machine learning and algorithms. Starting from recent regret bounds for the exponential forecaster on losses with dispersed discontinuities, we generalize them to be initialization-dependent and then use this result to propose a practical meta-learning procedure that learns both the initialization and the step-size of the algorithm from multiple online learning tasks. Asymptotically, we guarantee that the average regret across tasks scales with a natural notion of task-similarity that measures the amount of overlap between near-optimal regions of different tasks. Finally, we instantiate the method and its guarantee in two important settings: robust meta-learning and multi-task data-driven algorithm design.

Tuning hyperparameters is a crucial but arduous part of the machine learning pipeline. Hyperparameter optimization is even more challenging in federated learning, where models are learned over a distributed network of heterogeneous devices; here, the need to keep data on device and perform local training makes it difficult to efficiently train and evaluate configurations. In this work, we investigate the problem of federated hyperparameter tuning. We first identify key challenges and show how standard approaches may be adapted to form baselines for the federated setting. Then, by making a novel connection to the neural architecture search technique of weight-sharing, we introduce a new method, FedEx, to accelerate federated hyperparameter tuning that is applicable to widely-used federated optimization methods such as FedAvg and recent variants. Theoretically, we show that a FedEx variant correctly tunes the on-device learning rate in the setting of online convex optimization across devices. Empirically, we show that FedEx can outperform natural baselines for federated hyperparameter tuning by several percentage points on the Shakespeare, FEMNIST, and CIFAR-10 benchmarks—obtaining higher accuracy using the same training budget.

An important goal of AutoML is to automate-away the design of neural networks on new tasks in under-explored domains. Motivated by this goal, we study the problem of enabling users to discover the right neural operations given data from their specific domain. We introduce a search space of operations called XD-Operations that mimic the inductive bias of standard multi-channel convolutions while being much more expressive: we prove that it includes many named operations across multiple application areas. Starting with any standard backbone such as ResNet, we show how to transform it into a search space over XD-operations and how to traverse the space using a simple weight sharing scheme. On a diverse set of tasks—solving PDEs, distance prediction for protein folding, and music modeling—our approach consistently yields models with lower error than baseline networks and often even lower error than expert-designed domain-specific approaches.

One popular trend in meta-learning is to learn from many training tasks a common initialization that a gradient-based method can use to solve a new task with few samples. The theory of meta-learning is still in its early stages, with several recent learning-theoretic analyses of methods such as Reptile [Nichol et al., 2018] being for \emph{convex models}. This work shows that convex-case analysis might be insufficient to understand the success of meta-learning, and that even for non-convex models it is important to look inside the optimization black-box, specifically at properties of the optimization trajectory. We construct a simple meta-learning instance that captures the problem of one-dimensional subspace learning. For the convex formulation of linear regression on this instance, we show that the new task sample complexity of any \emph{initialization-based meta-learning} algorithm is $\Omega(d)$, where $d$ is the input dimension. In contrast, for the non-convex formulation of a two layer linear network on the same instance, we show that both Reptile and multi-task representation learning can have new task sample complexity of $O(1)$, demonstrating a separation from convex meta-learning. Crucially, analyses of the training dynamics of these methods reveal that they can meta-learn the correct subspace onto which the data should be projected.

We study the problem of meta-learning through the lens of online convex optimization, developing a meta-algorithm bridging the gap between popular gradient-based meta-learning and classical regularization-based multi-task transfer methods. Our method is the first to simultaneously satisfy good sample efficiency guarantees in the convex setting, with generalization bounds that improve with task-similarity, while also being computationally scalable to modern deep learning architectures and the many-task setting. Despite its simplicity, the algorithm matches, up to a constant factor, a lower bound on the performance of any such parameter-transfer method under natural task similarity assumptions. We use experiments in both convex and deep learning settings to verify and demonstrate the applicability of our theory.

Recent empirical works have successfully used unlabeled data to learn feature representations that are broadly useful in downstream classification tasks. Several of these methods are reminiscent of the well-known word2vec embedding algorithm: leveraging availability of pairs of semantically “similar" data points and “negative samples," the learner forces the inner product of representations of similar pairs with each other to be higher on average than with negative samples. The current paper uses the term contrastive learning for such algorithms and presents a theoretical framework for analyzing them by introducing latent classes and hypothesizing that semantically similar points are sampled from the same latent class. This framework allows us to show provable guarantees on the performance of the learned representations on the average classification task that is comprised of a subset of the same set of latent classes. Our generalization bound also shows that learned representations can reduce (labeled) sample complexity on downstream tasks. We conduct controlled experiments in both the text and image domains to support the theory.

We build a theoretical framework for designing and understanding practical meta-learning methods that integrates sophisticated formalizations of task-similarity with the extensive literature on online convex optimization and sequential prediction algorithms. Our approach enables the task-similarity to be learned adaptively, provides sharper transfer-risk bounds in the setting of statistical learning-to-learn, and leads to straightforward derivations of average-case regret bounds for efficient algorithms in settings where the task-environment changes dynamically or the tasks share a certain geometric structure. We use our theory to modify several popular meta-learning algorithms and improve their training and meta-test-time performance on standard problems in few-shot and federated learning.

Mikhail Khodak, Nikunj Saunshi, Yingyu Liang, Tengyu Ma, Brandon Stewart, Sanjeev Arora. Proceedings of the 56th Annual Meeting of the Association for Computational Linguistics (Volume 1: Long Papers). 2018.

As infrastructure-as-a-service clouds become more popular, cloud providers face the complicated problem of maximizing their resource utilization by handling the dynamics of user demand. Auction-based pricing, such as Amazon EC2 spot pricing, provides an option for users to use idle resources at highly reduced yet dynamic prices; under such a pricing scheme, users place bids for cloud resources, and the provider chooses a threshold “spot” price above which bids are admitted. In this paper, we propose a nonlinear dynamical system model for the time-evolution of the spot price as a function of latent states that characterize user demand in the spot and on-demand markets. This model enables us to adaptively predict future spot prices given past spot price observations, allowing us to derive user bidding strategies for heterogeneous cloud resources that minimize the cost to complete a job with negligible probability of interruption. Along the way, the model also yields novel, empirically verifiable insights into cloud provider behavior. We experimentally validate our model and bidding strategy on two months of Amazon EC2 spot price data and find that our proposed bidding strategy is up to 4 times closer to the optimal strategy in hindsight compared to a baseline regression approach while incurring the same negligible probability of interruption.