Optimization problems arising in data science have given rise to a number of new derivative-based optimization methods. Such methods often use standard smoothness assumptions -- namely, global Lipschitz continuity of the gradient function -- to establish a convergence theory. Unfortunately, in this work, we show that common optimization problems from data science applications are not globally Lipschitz smooth, nor do they satisfy some more recently developed smoothness conditions in literature. Instead, we show that such optimization problems are better modeled as having locally Lipschitz continuous gradients. We then construct explicit examples satisfying this assumption on which existing classes of optimization methods are either unreliable or experience an explosion in evaluation complexity. In summary, we show that optimization problems arising in data science are particularly difficult to solve, and that there is a need for methods that can reliably and practically solve these problems.
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Conformal prediction methodologies have significantly advanced the quantification of uncertainties in predictive models. Yet, the construction of confidence regions for model parameters presents a notable challenge, often necessitating stringent assumptions regarding data distribution or merely providing asymptotic guarantees. We introduce a novel approach termed CCR, which employs a combination of conformal prediction intervals for the model outputs to establish confidence regions for model parameters. We present coverage guarantees under minimal assumptions on noise and that is valid in finite sample regime. Our approach is applicable to both split conformal predictions and black-box methodologies including full or cross-conformal approaches. In the specific case of linear models, the derived confidence region manifests as the feasible set of a Mixed-Integer Linear Program (MILP), facilitating the deduction of confidence intervals for individual parameters and enabling robust optimization. We empirically compare CCR to recent advancements in challenging settings such as with heteroskedastic and non-Gaussian noise.
Peer prediction mechanisms motivate high-quality feedback with provable guarantees. However, current methods only apply to rather simple reports, like multiple-choice or scalar numbers. We aim to broaden these techniques to the larger domain of text-based reports, drawing on the recent developments in large language models. This vastly increases the applicability of peer prediction mechanisms as textual feedback is the norm in a large variety of feedback channels: peer reviews, e-commerce customer reviews, and comments on social media. We introduce two mechanisms, the Generative Peer Prediction Mechanism (GPPM) and the Generative Synopsis Peer Prediction Mechanism (GSPPM). These mechanisms utilize LLMs as predictors, mapping from one agent's report to a prediction of her peer's report. Theoretically, we show that when the LLM prediction is sufficiently accurate, our mechanisms can incentivize high effort and truth-telling as an (approximate) Bayesian Nash equilibrium. Empirically, we confirm the efficacy of our mechanisms through experiments conducted on two real datasets: the Yelp review dataset and the ICLR OpenReview dataset. We highlight the results that on the ICLR dataset, our mechanisms can differentiate three quality levels -- human-written reviews, GPT-4-generated reviews, and GPT-3.5-generated reviews in terms of expected scores. Additionally, GSPPM penalizes LLM-generated reviews more effectively than GPPM.
Utilitarian algorithm configuration is a general-purpose technique for automatically searching the parameter space of a given algorithm to optimize its performance, as measured by a given utility function, on a given set of inputs. Recently introduced utilitarian configuration procedures offer optimality guarantees about the returned parameterization while provably adapting to the hardness of the underlying problem. However, the applicability of these approaches is severely limited by the fact that they only search a finite, relatively small set of parameters. They cannot effectively search the configuration space of algorithms with continuous or uncountable parameters. In this paper we introduce a new procedure, which we dub COUP (Continuous, Optimistic Utilitarian Procrastination). COUP is designed to search infinite parameter spaces efficiently to find good configurations quickly. Furthermore, COUP maintains the theoretical benefits of previous utilitarian configuration procedures when applied to finite parameter spaces but is significantly faster, both provably and experimentally.
Policy gradient methods have enabled deep reinforcement learning (RL) to approach challenging continuous control problems, even when the underlying systems involve highly nonlinear dynamics that generate complex non-smooth optimization landscapes. We develop a rigorous framework for understanding how policy gradient methods mollify non-smooth optimization landscapes to enable effective policy search, as well as the downside of it: while making the objective function smoother and easier to optimize, the stochastic objective deviates further from the original problem. We demonstrate the equivalence between policy gradient methods and solving backward heat equations. Following the ill-posedness of backward heat equations from PDE theory, we present a fundamental challenge to the use of policy gradient under stochasticity. Moreover, we make the connection between this limitation and the uncertainty principle in harmonic analysis to understand the effects of exploration with stochastic policies in RL. We also provide experimental results to illustrate both the positive and negative aspects of mollification effects in practice.
We study the data-generating mechanism for reconstructive SSL to shed light on its effectiveness. With an infinite amount of labeled samples, we provide a sufficient and necessary condition for perfect linear approximation. The condition reveals a full-rank component that preserves the label classes of Y, along with a redundant component. Motivated by the condition, we propose to approximate the redundant component by a low-rank factorization and measure the approximation quality by introducing a new quantity $\epsilon_s$, parameterized by the rank of factorization s. We incorporate $\epsilon_s$ into the excess risk analysis under both linear regression and ridge regression settings, where the latter regularization approach is to handle scenarios when the dimension of the learned features is much larger than the number of labeled samples n for downstream tasks. We design three stylized experiments to compare SSL with supervised learning under different settings to support our theoretical findings.
The popularity of data science as a discipline and its importance in the emerging economy and industrial progress dictate that machine learning be democratized for the masses. This also means that the current practice of workforce training using machine learning tools, which requires low-level statistical and algorithmic details, is a barrier that needs to be addressed. Similar to data management languages such as SQL, machine learning needs to be practiced at a conceptual level to help make it a staple tool for general users. In particular, the technical sophistication demanded by existing machine learning frameworks is prohibitive for many scientists who are not computationally savvy or well versed in machine learning techniques. The learning curve to use the needed machine learning tools is also too high for them to take advantage of these powerful platforms to rapidly advance science. In this paper, we introduce a new declarative machine learning query language, called {\em MQL}, for naive users. We discuss its merit and possible ways of implementing it over a traditional relational database system. We discuss two materials science experiments implemented using MQL on a materials science workflow system called MatFlow.
We utilize extreme-learning machines for the prediction of partial differential equations (PDEs). Our method splits the state space into multiple windows that are predicted individually using a single model. Despite requiring only few data points (in some cases, our method can learn from a single full-state snapshot), it still achieves high accuracy and can predict the flow of PDEs over long time horizons. Moreover, we show how additional symmetries can be exploited to increase sample efficiency and to enforce equivariance.
Large Language Models (LLMs) have shown excellent generalization capabilities that have led to the development of numerous models. These models propose various new architectures, tweaking existing architectures with refined training strategies, increasing context length, using high-quality training data, and increasing training time to outperform baselines. Analyzing new developments is crucial for identifying changes that enhance training stability and improve generalization in LLMs. This survey paper comprehensively analyses the LLMs architectures and their categorization, training strategies, training datasets, and performance evaluations and discusses future research directions. Moreover, the paper also discusses the basic building blocks and concepts behind LLMs, followed by a complete overview of LLMs, including their important features and functions. Finally, the paper summarizes significant findings from LLM research and consolidates essential architectural and training strategies for developing advanced LLMs. Given the continuous advancements in LLMs, we intend to regularly update this paper by incorporating new sections and featuring the latest LLM models.
This book develops an effective theory approach to understanding deep neural networks of practical relevance. Beginning from a first-principles component-level picture of networks, we explain how to determine an accurate description of the output of trained networks by solving layer-to-layer iteration equations and nonlinear learning dynamics. A main result is that the predictions of networks are described by nearly-Gaussian distributions, with the depth-to-width aspect ratio of the network controlling the deviations from the infinite-width Gaussian description. We explain how these effectively-deep networks learn nontrivial representations from training and more broadly analyze the mechanism of representation learning for nonlinear models. From a nearly-kernel-methods perspective, we find that the dependence of such models' predictions on the underlying learning algorithm can be expressed in a simple and universal way. To obtain these results, we develop the notion of representation group flow (RG flow) to characterize the propagation of signals through the network. By tuning networks to criticality, we give a practical solution to the exploding and vanishing gradient problem. We further explain how RG flow leads to near-universal behavior and lets us categorize networks built from different activation functions into universality classes. Altogether, we show that the depth-to-width ratio governs the effective model complexity of the ensemble of trained networks. By using information-theoretic techniques, we estimate the optimal aspect ratio at which we expect the network to be practically most useful and show how residual connections can be used to push this scale to arbitrary depths. With these tools, we can learn in detail about the inductive bias of architectures, hyperparameters, and optimizers.
We describe the new field of mathematical analysis of deep learning. This field emerged around a list of research questions that were not answered within the classical framework of learning theory. These questions concern: the outstanding generalization power of overparametrized neural networks, the role of depth in deep architectures, the apparent absence of the curse of dimensionality, the surprisingly successful optimization performance despite the non-convexity of the problem, understanding what features are learned, why deep architectures perform exceptionally well in physical problems, and which fine aspects of an architecture affect the behavior of a learning task in which way. We present an overview of modern approaches that yield partial answers to these questions. For selected approaches, we describe the main ideas in more detail.
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