Publications

2023
S. Kakade, et al., “Learning an Inventory Control Policy with General Inventory Arrival Dynamics,” 2023. arXiv VersionAbstract
In this paper we address the problem of learning and backtesting inventory control policies in the presence of general arrival dynamics -- which we term as a quantity-over-time arrivals model (QOT). We also allow for order quantities to be modified as a post-processing step to meet vendor constraints such as order minimum and batch size constraints -- a common practice in real supply chains. To the best of our knowledge this is the first work to handle either arbitrary arrival dynamics or an arbitrary downstream post-processing of order quantities. Building upon recent work (Madeka et al., 2022) we similarly formulate the periodic review inventory control problem as an exogenous decision process, where most of the state is outside the control of the agent. Madeka et al. (2022) show how to construct a simulator that replays historic data to solve this class of problem. In our case, we incorporate a deep generative model for the arrivals process as part of the history replay. By formulating the problem as an exogenous decision process, we can apply results from Madeka et al. (2022) to obtain a reduction to supervised learning. Finally, we show via simulation studies that this approach yields statistically significant improvements in profitability over production baselines. Using data from an ongoing real-world A/B test, we show that Gen-QOT generalizes well to off-policy data.
S. Kakade, et al., “MatFormer: Nested Transformer for Elastic Inference,” 2023. arXiv VersionAbstract
Transformer models are deployed in a wide range of settings, from multi-accelerator clusters to standalone mobile phones. The diverse inference constraints in these scenarios necessitate practitioners to train foundation models such as PaLM 2, Llama, & ViTs as a series of models of varying sizes. Due to significant training costs, only a select few model sizes are trained and supported, limiting more fine-grained control over relevant tradeoffs, including latency, cost, and accuracy. This work introduces MatFormer, a nested Transformer architecture designed to offer elasticity in a variety of deployment constraints. Each Feed Forward Network (FFN) block of a MatFormer model is jointly optimized with a few nested smaller FFN blocks. This training procedure allows for the Mix'n'Match of model granularities across layers -- i.e., a trained universal MatFormer model enables extraction of hundreds of accurate smaller models, which were never explicitly optimized. We empirically demonstrate MatFormer's effectiveness across different model classes (decoders & encoders), modalities (language & vision), and scales (up to 2.6B parameters). We find that a 2.6B decoder-only MatFormer language model (MatLM) allows us to extract smaller models spanning from 1.5B to 2.6B, each exhibiting comparable validation loss and one-shot downstream evaluations to their independently trained counterparts. Furthermore, we observe that smaller encoders extracted from a universal MatFormer-based ViT (MatViT) encoder preserve the metric-space structure for adaptive large-scale retrieval. Finally, we showcase that speculative decoding with the accurate and consistent submodels extracted from MatFormer can further reduce inference latency.
B. L. Edelman, S. Goel, S. Kakade, E. Malach, and C. Zhang, “Pareto Frontiers in Neural Feature Learning: Data, Compute, Width, and Luck,” 2023.Abstract
In modern deep learning, algorithmic choices (such as width, depth, and learning rate) are known to modulate nuanced resource tradeoffs. This work investigates how these complexities necessarily arise for feature learning in the presence of computational-statistical gaps. We begin by considering offline sparse parity learning, a supervised classification problem which admits a statistical query lower bound for gradient-based training of a multilayer perceptron. This lower bound can be interpreted as a multi-resource tradeoff frontier: successful learning can only occur if one is sufficiently rich (large model), knowledgeable (large dataset), patient (many training iterations), or lucky (many random guesses). We show, theoretically and experimentally, that sparse initialization and increasing network width yield significant improvements in sample efficiency in this setting. Here, width plays the role of parallel search: it amplifies the probability of finding "lottery ticket" neurons, which learn sparse features more sample-efficiently. Finally, we show that the synthetic sparse parity task can be useful as a proxy for real problems requiring axis-aligned feature learning. We demonstrate improved sample efficiency on tabular classification benchmarks by using wide, sparsely-initialized MLP models; these networks sometimes outperform tuned random forests.
J. Tuyls, D. Madeka, K. Torkkola, D. Foster, K. Narasimhan, and S. Kakade, “Scaling Laws for Imitation Learning in NetHack,” 2023. arXiv VersionAbstract
Imitation Learning (IL) is one of the most widely used methods in machine learning. Yet, while powerful, many works find it is often not able to fully recover the underlying expert behavior. However, none of these works deeply investigate the role of scaling up the model and data size. Inspired by recent work in Natural Language Processing (NLP) where "scaling up" has resulted in increasingly more capable LLMs, we investigate whether carefully scaling up model and data size can bring similar improvements in the imitation learning setting. To demonstrate our findings, we focus on the game of NetHack, a challenging environment featuring procedural generation, stochasticity, long-term dependencies, and partial observability. We find IL loss and mean return scale smoothly with the compute budget and are strongly correlated, resulting in power laws for training compute-optimal IL agents with respect to model size and number of samples. We forecast and train several NetHack agents with IL and find they outperform prior state-of-the-art by at least 2x in all settings. Our work both demonstrates the scaling behavior of imitation learning in a challenging domain, as well as the viability of scaling up current approaches for increasingly capable agents in NetHack, a game that remains elusively hard for current AI systems.
N. Vyas, D. Morwani, R. Zhao, G. Kaplun, S. Kakade, and B. Barak, “Beyond Implicit Bias: The Insignificance of SGD Noise in Online Learning,” 2023. arXiv VersionAbstract
The success of SGD in deep learning has been ascribed by prior works to the implicit bias induced by high learning rate or small batch size ("SGD noise"). While prior works that focused on offline learning (i.e., multiple-epoch training), we study the impact of SGD noise on online (i.e., single epoch) learning. Through an extensive empirical analysis of image and language data, we demonstrate that large learning rate and small batch size do not confer any implicit bias advantages in online learning. In contrast to offline learning, the benefits of SGD noise in online learning are strictly computational, facilitating larger or more cost-effective gradient steps. Our work suggests that SGD in the online regime can be construed as taking noisy steps along the "golden path" of the noiseless gradient flow algorithm. We provide evidence to support this hypothesis by conducting experiments that reduce SGD noise during training and by measuring the pointwise functional distance between models trained with varying SGD noise levels, but at equivalent loss values. Our findings challenge the prevailing understanding of SGD and offer novel insights into its role in online learning.
D. Morwani, B. L. Edelman, C. - A. Oncescu, R. Zhao, and S. Kakade, “Feature emergence via margin maximization: case studies in algebraic tasks,” 2023. arXiv VersionAbstract
Understanding the internal representations learned by neural networks is a cornerstone challenge in the science of machine learning. While there have been significant recent strides in some cases towards understanding how neural networks implement specific target functions, this paper explores a complementary question -- why do networks arrive at particular computational strategies? Our inquiry focuses on the algebraic learning tasks of modular addition, sparse parities, and finite group operations. Our primary theoretical findings analytically characterize the features learned by stylized neural networks for these algebraic tasks. Notably, our main technique demonstrates how the principle of margin maximization alone can be used to fully specify the features learned by the network. Specifically, we prove that the trained networks utilize Fourier features to perform modular addition and employ features corresponding to irreducible group-theoretic representations to perform compositions in general groups, aligning closely with the empirical observations of Nanda et al. and Chughtai et al. More generally, we hope our techniques can help to foster a deeper understanding of why neural networks adopt specific computational strategies.
K. Pillutla, V. Roulet, S. Kakade, and Z. Harchaoui, “Modified Gauss-Newton Algorithms under Noise,” IEEE SSP, 2023. arXiv VersionAbstract
Gauss-Newton methods and their stochastic version have been widely used in machine learning and signal processing. Their nonsmooth counterparts, modified Gauss-Newton or prox-linear algorithms, can lead to contrasting outcomes when compared to gradient descent in large-scale statistical settings. We explore the contrasting performance of these two classes of algorithms in theory on a stylized statistical example, and experimentally on learning problems including structured prediction. In theory, we delineate the regime where the quadratic convergence of the modified Gauss-Newton method is active under statistical noise. In the experiments, we underline the versatility of stochastic (sub)-gradient descent to minimize nonsmooth composite objectives.
S. M. Kakade, A. Krishnamurthy, G. Mahajan, and C. Zhang, “Learning Hidden Markov Models Using Conditional Samples,” COLT, 2023. arXiv VersionAbstract
This paper is concerned with the computational complexity of learning the Hidden Markov Model (HMM). Although HMMs are some of the most widely used tools in sequential and time series modeling, they are cryptographically hard to learn in the standard setting where one has access to i.i.d. samples of observation sequences. In this paper, we depart from this setup and consider an interactive access model, in which the algorithm can query for samples from the conditional distributions of the HMMs. We show that interactive access to the HMM enables computationally efficient learning algorithms, thereby bypassing cryptographic hardness. Specifically, we obtain efficient algorithms for learning HMMs in two settings:
(a) An easier setting where we have query access to the exact conditional probabilities. Here our algorithm runs in polynomial time and makes polynomially many queries to approximate any HMM in total variation distance.
(b) A harder setting where we can only obtain samples from the conditional distributions. Here the performance of the algorithm depends on a new parameter, called the fidelity of the HMM. We show that this captures cryptographically hard instances and previously known positive results.
We also show that these results extend to a broader class of distributions with latent low rank structure. Our algorithms can be viewed as generalizations and robustifications of Angluin's L∗ algorithm for learning deterministic finite automata from membership queries.
J. Wu, D. Zou, Z. Chen, V. Braverman, Q. Gu, and S. M. Kakade, “Learning High-Dimensional Single-Neuron ReLU Networks with Finite Samples,” ICML, 2023. arXiv VersionAbstract
This paper considers the problem of learning a single ReLU neuron with squared loss (a.k.a., ReLU regression) in the overparameterized regime, where the input dimension can exceed the number of samples. We analyze a Perceptron-type algorithm called GLM-tron (Kakade et al., 2011), and provide its dimension-free risk upper bounds for high-dimensional ReLU regression in both well-specified and misspecified settings. Our risk bounds recover several existing results as special cases. Moreover, in the well-specified setting, we also provide an instance-wise matching risk lower bound for GLM-tron. Our upper and lower risk bounds provide a sharp characterization of the high-dimensional ReLU regression problems that can be learned via GLM-tron. On the other hand, we provide some negative results for stochastic gradient descent (SGD) for ReLU regression with symmetric Bernoulli data: if the model is well-specified, the excess risk of SGD is provably no better than that of GLM-tron ignoring constant factors, for each problem instance; and in the noiseless case, GLM-tron can achieve a small risk while SGD unavoidably suffers from a constant risk in expectation. These results together suggest that GLM-tron might be preferable than SGD for high-dimensional ReLU regression.
D. J. Foster, N. Golowich, and S. M. Kakade, “Hardness of Independent Learning and Sparse Equilibrium Computation in Markov Games,” ICML, 2023. arXiv VersionAbstract
We consider the problem of decentralized multi-agent reinforcement learning in Markov games. A fundamental question is whether there exist algorithms that, when adopted by all agents and run independently in a decentralized fashion, lead to no-regret for each player, analogous to celebrated convergence results in normal-form games. While recent work has shown that such algorithms exist for restricted settings (notably, when regret is defined with respect to deviations to Markovian policies), the question of whether independent no-regret learning can be achieved in the standard Markov game framework was open. We provide a decisive negative resolution this problem, both from a computational and statistical perspective. We show that:
- Under the widely-believed assumption that PPAD-hard problems cannot be solved in polynomial time, there is no polynomial-time algorithm that attains no-regret in general-sum Markov games when executed independently by all players, even when the game is known to the algorithm designer and the number of players is a small constant.
- When the game is unknown, no algorithm, regardless of computational efficiency, can achieve no-regret without observing a number of episodes that is exponential in the number of players.
Perhaps surprisingly, our lower bounds hold even for seemingly easier setting in which all agents are controlled by a a centralized algorithm. They are proven via lower bounds for a simpler problem we refer to as SparseCCE, in which the goal is to compute a coarse correlated equilibrium that is sparse in the sense that it can be represented as a mixture of a small number of product policies. The crux of our approach is a novel application of aggregation techniques from online learning, whereby we show that any algorithm for the SparseCCE problem can be used to compute approximate Nash equilibria for non-zero sum normal-form games.
S. Kakade, et al., “AdANNS: A Framework for Adaptive Semantic Search,” Arxiv, 2023. arXiv VersionAbstract
Web-scale search systems learn an encoder to embed a given query which is then hooked into an approximate nearest neighbor search (ANNS) pipeline to retrieve similar data points. To accurately capture tail queries and data points, learned representations typically are rigid, high-dimensional vectors that are generally used as-is in the entire ANNS pipeline and can lead to computationally expensive retrieval. In this paper, we argue that instead of rigid representations, different stages of ANNS can leverage adaptive representations of varying capacities to achieve significantly better accuracy-compute trade-offs, i.e., stages of ANNS that can get away with more approximate computation should use a lower-capacity representation of the same data point. To this end, we introduce AdANNS, a novel ANNS design framework that explicitly leverages the flexibility of Matryoshka Representations. We demonstrate state-of-the-art accuracy-compute trade-offs using novel AdANNS-based key ANNS building blocks like search data structures (AdANNS-IVF) and quantization (AdANNS-OPQ). For example on ImageNet retrieval, AdANNS-IVF is up to 1.5% more accurate than the rigid representations-based IVF at the same compute budget; and matches accuracy while being up to 90x faster in wall-clock time. For Natural Questions, 32-byte AdANNS-OPQ matches the accuracy of the 64-byte OPQ baseline constructed using rigid representations -- same accuracy at half the cost! We further show that the gains from AdANNS translate to modern-day composite ANNS indices that combine search structures and quantization. Finally, we demonstrate that AdANNS can enable inference-time adaptivity for compute-aware search on ANNS indices built non-adaptively on matryoshka representations. Code is open-sourced at this https URL.
N. Vyas, S. Kakade, and B. Barak, “Provable Copyright Protection for Generative Models,” ICML, 2023. arXiv VersionAbstract
There is a growing concern that learned conditional generative models may output samples that are substantially similar to some copyrighted data C that was in their training set. We give a formal definition of near access-freeness (NAF) and prove bounds on the probability that a model satisfying this definition outputs a sample similar to C, even if C is included in its training set. Roughly speaking, a generative model p is k-NAF if for every potentially copyrighted data C, the output of p diverges by at most k-bits from the output of a model q that did not access C at all. We also give generative model learning algorithms, which efficiently modify the original generative model learning algorithm in a black box manner, that output generative models with strong bounds on the probability of sampling protected content. Furthermore, we provide promising experiments for both language (transformers) and image (diffusion) generative models, showing minimal degradation in output quality while ensuring strong protections against sampling protected content.
T. Xie, D. J. Foster, Y. Bai, N. Jiang, and S. M. Kakade, “The Role of Coverage in Online Reinforcement Learning,” ICLR, 2023. arXiv VersionAbstract
Coverage conditions -- which assert that the data logging distribution adequately covers the state space -- play a fundamental role in determining the sample complexity of offline reinforcement learning. While such conditions might seem irrelevant to online reinforcement learning at first glance, we establish a new connection by showing -- somewhat surprisingly -- that the mere existence of a data distribution with good coverage can enable sample-efficient online RL. Concretely, we show that coverability -- that is, existence of a data distribution that satisfies a ubiquitous coverage condition called concentrability -- can be viewed as a structural property of the underlying MDP, and can be exploited by standard algorithms for sample-efficient exploration, even when the agent does not know said distribution. We complement this result by proving that several weaker notions of coverage, despite being sufficient for offline RL, are insufficient for online RL. We also show that existing complexity measures for online RL, including Bellman rank and Bellman-Eluder dimension, fail to optimally capture coverability, and propose a new complexity measure, the sequential extrapolation coefficient, to provide a unification.
J. C. Perdomo, A. Krishnamurthy, P. Bartlett, and S. Kakade, “A Sharp Characterization of Linear Estimators for Offline Policy Evaluation,” JMLR, 2023. arXiv VersionAbstract
Offline policy evaluation is a fundamental statistical problem in reinforcement learning that involves estimating the value function of some decision-making policy given data collected by a potentially different policy. In order to tackle problems with complex, high-dimensional observations, there has been significant interest from theoreticians and practitioners alike in understanding the possibility of function approximation in reinforcement learning. Despite significant study, a sharp characterization of when we might expect offline policy evaluation to be tractable, even in the simplest setting of linear function approximation, has so far remained elusive, with a surprising number of strong negative results recently appearing in the literature.
In this work, we identify simple control-theoretic and linear-algebraic conditions that are necessary and sufficient for classical methods, in particular Fitted Q-iteration (FQI) and least squares temporal difference learning (LSTD), to succeed at offline policy evaluation. Using this characterization, we establish a precise hierarchy of regimes under which these estimators succeed. We prove that LSTD works under strictly weaker conditions than FQI. Furthermore, we establish that if a problem is not solvable via LSTD, then it cannot be solved by a broad class of linear estimators, even in the limit of infinite data. Taken together, our results provide a complete picture of the behavior of linear estimators for offline policy evaluation (OPE), unify previously disparate analyses of canonical algorithms, and provide significantly sharper notions of the underlying statistical complexity of OPE.
K. Pillutla, S. M. Kakade, and Z. Harchaoui, “Robust Aggregation for Federated Learning,” IEEE Transactions on Signal Processing, 2023. arXiv VersionAbstract

We present a robust aggregation approach to make federated learning robust to settings when a fraction of the devices may be sending corrupted updates to the server. The proposed approach relies on a robust secure aggregation oracle based on the geometric median, which returns a robust aggregate using a constant number of calls to a regular non-robust secure average oracle. The robust aggregation oracle is privacy-preserving, similar to the secure average oracle it builds upon. We provide experimental results of the proposed approach with linear models and deep networks for two tasks in computer vision and natural language processing. The robust aggregation approach is agnostic to the level of corruption; it outperforms the classical aggregation approach in terms of robustness when the level of corruption is high, while being competitive in the regime of low corruption.

Code: https://github.com/krishnap25/tRFA

2022
A. Gupta, A. Pacchiano, Y. Zhai, S. M. Kakade, and S. Levine, “Unpacking Reward Shaping: Understanding the Benefits of Reward Engineering on Sample Complexity,” NeurIPS, 2022. arXiv VersionAbstract
Reinforcement learning provides an automated framework for learning behaviors from high-level reward specifications, but in practice the choice of reward function can be crucial for good results -- while in principle the reward only needs to specify what the task is, in reality practitioners often need to design more detailed rewards that provide the agent with some hints about how the task should be completed. The idea of this type of ``reward-shaping'' has been often discussed in the literature, and is often a critical part of practical applications, but there is relatively little formal characterization of how the choice of reward shaping can yield benefits in sample complexity. In this work, we build on the framework of novelty-based exploration to provide a simple scheme for incorporating shaped rewards into RL along with an analysis tool to show that particular choices of reward shaping provably improve sample efficiency. We characterize the class of problems where these gains are expected to be significant and show how this can be connected to practical algorithms in the literature. We confirm that these results hold in practice in an experimental evaluation, providing an insight into the mechanisms through which reward shaping can significantly improve the complexity of reinforcement learning while retaining asymptotic performance.
S. Goel, S. Kakade, A. T. Kalai, and C. Zhang, “Recurrent Convolutional Neural Networks Learn Succinct Learning Algorithms,” NeurIPS, 2022. arXiv VersionAbstract
Neural networks (NNs) struggle to efficiently solve certain problems, such as learning parities, even when there are simple learning algorithms for those problems. Can NNs discover learning algorithms on their own? We exhibit a NN architecture that, in polynomial time, learns as well as any efficient learning algorithm describable by a constant-sized program. For example, on parity problems, the NN learns as well as Gaussian elimination, an efficient algorithm that can be succinctly described. Our architecture combines both recurrent weight sharing between layers and convolutional weight sharing to reduce the number of parameters down to a constant, even though the network itself may have trillions of nodes. While in practice the constants in our analysis are too large to be directly meaningful, our work suggests that the synergy of Recurrent and Convolutional NNs (RCNNs) may be more natural and powerful than either alone, particularly for concisely parameterizing discrete algorithms.
D. Madeka, K. Torkkola, C. Eisenach, A. Luo, D. P. Foster, and S. M. Kakade, “Deep Inventory Management,” 2022. arXiv VersionAbstract
This work provides a Deep Reinforcement Learning approach to solving a periodic review inventory control system with stochastic vendor lead times, lost sales, correlated demand, and price matching. While this dynamic program has historically been considered intractable, our results show that several policy learning approaches are competitive with or outperform classical methods. In order to train these algorithms, we develop novel techniques to convert historical data into a simulator. On the theoretical side, we present learnability results on a subclass of inventory control problems, where we provide a provable reduction of the reinforcement learning problem to that of supervised learning. On the algorithmic side, we present a model-based reinforcement learning procedure (Direct Backprop) to solve the periodic review inventory control problem by constructing a differentiable simulator. Under a variety of metrics Direct Backprop outperforms model-free RL and newsvendor baselines, in both simulations and real-world deployments.
J. Wu, D. Zou, V. Braverman, Q. Gu, and S. M. Kakade, “The Power and Limitation of Pretraining-Finetuning for Linear Regression under Covariate Shift,” NeurIPS, 2022. arXiv VersionAbstract
We study linear regression under covariate shift, where the marginal distribution over the input covariates differs in the source and the target domains, while the conditional distribution of the output given the input covariates is similar across the two domains. We investigate a transfer learning approach with pretraining on the source data and finetuning based on the target data (both conducted by online SGD) for this problem. We establish sharp instance-dependent excess risk upper and lower bounds for this approach. Our bounds suggest that for a large class of linear regression instances, transfer learning with O(N2) source data (and scarce or no target data) is as effective as supervised learning with N target data. In addition, we show that finetuning, even with only a small amount of target data, could drastically reduce the amount of source data required by pretraining. Our theory sheds light on the effectiveness and limitation of pretraining as well as the benefits of finetuning for tackling covariate shift problems.
B. Barak, B. L. Edelman, S. Goel, S. Kakade, E. Malach, and C. Zhang, “Hidden Progress in Deep Learning: SGD Learns Parities Near the Computational Limit,” NeurIPS, 2022. arXiv VersionAbstract
There is mounting empirical evidence of emergent phenomena in the capabilities of deep learning methods as we scale up datasets, model sizes, and training times. While there are some accounts of how these resources modulate statistical capacity, far less is known about their effect on the computational problem of model training. This work conducts such an exploration through the lens of learning k-sparse parities of n bits, a canonical family of problems which pose theoretical computational barriers. In this setting, we find that neural networks exhibit surprising phase transitions when scaling up dataset size and running time. In particular, we demonstrate empirically that with standard training, a variety of architectures learn sparse parities with nO(k) examples, with loss (and error) curves abruptly dropping after nO(k) iterations. These positive results nearly match known SQ lower bounds, even without an explicit sparsity-promoting prior. We elucidate the mechanisms of these phenomena with a theoretical analysis: we find that the phase transition in performance is not due to SGD "stumbling in the dark" until it finds the hidden set of features (a natural algorithm which also runs in nO(k) time); instead, we show that SGD gradually amplifies a Fourier gap in the population gradient.

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