Learning Graphical Models
A Structured Review of Literature on Uncertainty in Machine Learning & Deep Learning
Fakour, Fahimeh, Mosleh, Ali, Ramezani, Ramin
The adaptation and use of Machine Learning (ML) in our daily lives has led to concerns in lack of transparency, privacy, reliability, among others. As a result, we are seeing research in niche areas such as interpretability, causality, bias and fairness, and reliability. In this survey paper, we focus on a critical concern for adaptation of ML in risk-sensitive applications, namely understanding and quantifying uncertainty. Our paper approaches this topic in a structured way, providing a review of the literature in the various facets that uncertainty is enveloped in the ML process. We begin by defining uncertainty and its categories (e.g., aleatoric and epistemic), understanding sources of uncertainty (e.g., data and model), and how uncertainty can be assessed in terms of uncertainty quantification techniques (Ensembles, Bayesian Neural Networks, etc.). As part of our assessment and understanding of uncertainty in the ML realm, we cover metrics for uncertainty quantification for a single sample, dataset, and metrics for accuracy of the uncertainty estimation itself. This is followed by discussions on calibration (model and uncertainty), and decision making under uncertainty. Thus, we provide a more complete treatment of uncertainty: from the sources of uncertainty to the decision-making process. We have focused the review of uncertainty quantification methods on Deep Learning (DL), while providing the necessary background for uncertainty discussion within ML in general. Key contributions in this review are broadening the scope of uncertainty discussion, as well as an updated review of uncertainty quantification methods in DL.
One-Shot Averaging for Distributed TD($\lambda$) Under Markov Sampling
Tian, Haoxing, Paschalidis, Ioannis Ch., Olshevsky, Alex
Actor-critic method achieves state-of-the-art performance in many domains including robotics, game playing, and control systems (LeCun et al. (2015); Mnih et al. (2016); Silver et al. (2017)). Temporal Difference (TD) Learning may be thought of as a component of actor critic, and better bounds for TD Learning are usually ingredients of actor-critic analyses. We consider the problem of policy evaluation in reinforcement learning: given a Markov Decision Process (MDP) and a policy, we need to estimate the value of each state (expected discounted sum of all future rewards) under this policy. Policy evaluation is important because it is effectively a subroutine of many other algorithms such as policy iteration and actor-critic. The main challenges for policy evaluation are that we usually do not know the underlying MDP directly and can only interact with it, and that the number of states is typically too large forcing us to maintain a low-dimensional approximation of the true vector of state values.
Navigating Tabular Data Synthesis Research: Understanding User Needs and Tool Capabilities
R., Maria F. Davila, Groen, Sven, Panse, Fabian, Wingerath, Wolfram
In an era of rapidly advancing data-driven applications, there is a growing demand for data in both research and practice. Synthetic data have emerged as an alternative when no real data is available (e.g., due to privacy regulations). Synthesizing tabular data presents unique and complex challenges, especially handling (i) missing values, (ii) dataset imbalance, (iii) diverse column types, and (iv) complex data distributions, as well as preserving (i) column correlations, (ii) temporal dependencies, and (iii) integrity constraints (e.g., functional dependencies) present in the original dataset. While substantial progress has been made recently in the context of generational models, there is no one-size-fits-all solution for tabular data today, and choosing the right tool for a given task is therefore no trivial task. In this paper, we survey the state of the art in Tabular Data Synthesis (TDS), examine the needs of users by defining a set of functional and non-functional requirements, and compile the challenges associated with meeting those needs. In addition, we evaluate the reported performance of 36 popular research TDS tools about these requirements and develop a decision guide to help users find suitable TDS tools for their applications. The resulting decision guide also identifies significant research gaps.
Dynamic Conditional Optimal Transport through Simulation-Free Flows
Kerrigan, Gavin, Migliorini, Giosue, Smyth, Padhraic
We study the geometry of conditional optimal transport (COT) and prove a dynamical formulation which generalizes the Benamou-Brenier Theorem. Equipped with these tools, we propose a simulation-free flow-based method for conditional generative modeling. Our method couples an arbitrary source distribution to a specified target distribution through a triangular COT plan, and a conditional generative model is obtained by approximating the geodesic path of measures induced by this COT plan. Our theory and methods are applicable in infinite-dimensional settings, making them well suited for a wide class of Bayesian inverse problems. Empirically, we demonstrate that our method is competitive on several challenging conditional generation tasks, including an infinite-dimensional inverse problem.
Unleashing the Potential of Diffusion Models for Incomplete Data Imputation
Zhang, Hengrui, Fang, Liancheng, Yu, Philip S.
This paper introduces DiffPuter, an iterative method for missing data imputation that leverages the Expectation-Maximization (EM) algorithm and Diffusion Models. By treating missing data as hidden variables that can be updated during model training, we frame the missing data imputation task as an EM problem. During the M-step, DiffPuter employs a diffusion model to learn the joint distribution of both the observed and currently estimated missing data. In the E-step, DiffPuter re-estimates the missing data based on the conditional probability given the observed data, utilizing the diffusion model learned in the M-step. Starting with an initial imputation, DiffPuter alternates between the M-step and E-step until convergence. Through this iterative process, DiffPuter progressively refines the complete data distribution, yielding increasingly accurate estimations of the missing data. Our theoretical analysis demonstrates that the unconditional training and conditional sampling processes of the diffusion model align precisely with the objectives of the M-step and E-step, respectively. Empirical evaluations across 10 diverse datasets and comparisons with 16 different imputation methods highlight DiffPuter's superior performance. Notably, DiffPuter achieves an average improvement of 8.10% in MAE and 5.64% in RMSE compared to the most competitive existing method.
Decision Mamba: Reinforcement Learning via Hybrid Selective Sequence Modeling
Huang, Sili, Hu, Jifeng, Yang, Zhejian, Yang, Liwei, Luo, Tao, Chen, Hechang, Sun, Lichao, Yang, Bo
Recent works have shown the remarkable superiority of transformer models in reinforcement learning (RL), where the decision-making problem is formulated as sequential generation. Transformer-based agents could emerge with self-improvement in online environments by providing task contexts, such as multiple trajectories, called in-context RL. However, due to the quadratic computation complexity of attention in transformers, current in-context RL methods suffer from huge computational costs as the task horizon increases. In contrast, the Mamba model is renowned for its efficient ability to process long-term dependencies, which provides an opportunity for in-context RL to solve tasks that require long-term memory. To this end, we first implement Decision Mamba (DM) by replacing the backbone of Decision Transformer (DT). Then, we propose a Decision Mamba-Hybrid (DM-H) with the merits of transformers and Mamba in high-quality prediction and long-term memory. Specifically, DM-H first generates high-value sub-goals from long-term memory through the Mamba model. Then, we use sub-goals to prompt the transformer, establishing high-quality predictions. Experimental results demonstrate that DM-H achieves state-of-the-art in long and short-term tasks, such as D4RL, Grid World, and Tmaze benchmarks. Regarding efficiency, the online testing of DM-H in the long-term task is 28$\times$ times faster than the transformer-based baselines.
Learning Syntax Without Planting Trees: Understanding When and Why Transformers Generalize Hierarchically
Ahuja, Kabir, Balachandran, Vidhisha, Panwar, Madhur, He, Tianxing, Smith, Noah A., Goyal, Navin, Tsvetkov, Yulia
Natural language is structured hierarchically: words are grouped into phrases or constituents, which can be further grouped to form higher-level phrases up to the full sentence. How well do the neural network models trained on language data learn this phrase structure of human language has been a subject of great interest. A flurry of past work have shown that syntax trees can be recovered from recurrent neural network (RNN) and transformer-based models trained on large-scale language corpora (Tenney et al., 2019, Peters et al., 2018, Lin et al., 2019, Wu et al., 2020). While these studies provide useful evidence of the aforementioned phenomenon, they do not shed light on the architectural choices, training paradigms or dataset characteristics that lead models to learn the phrase structure of language. A useful tool to understand these model and dataset specific properties is through the test for hierarchical generalization, i.e., evaluating the capability of a model to generalize to novel syntactic forms, which were unseen during training. A classic problem to test for hierarchical generalization is question formation, where given a declarative sentence, e.g., My walrus does move the dogs that do wait., the task is to transform it into a question: Does my walrus move the dogs that do wait? The task is accomplished by moving one auxiliary verb to the front. The correct choice to move does in this example (rather than do), is predicted both by a hierarchical rule based on the phrase-structure syntax of the sentence, and by a linear rule that says to move the first auxiliary. Hence, as a test for hierarchical generalization, we can ask, for neural networks trained from scratch on data that is consistent with both hierarchical and linear rules (i.e.,
In-Context Decision Transformer: Reinforcement Learning via Hierarchical Chain-of-Thought
Huang, Sili, Hu, Jifeng, Chen, Hechang, Sun, Lichao, Yang, Bo
In-context learning is a promising approach for offline reinforcement learning (RL) to handle online tasks, which can be achieved by providing task prompts. Recent works demonstrated that in-context RL could emerge with self-improvement in a trial-and-error manner when treating RL tasks as an across-episodic sequential prediction problem. Despite the self-improvement not requiring gradient updates, current works still suffer from high computational costs when the across-episodic sequence increases with task horizons. To this end, we propose an In-context Decision Transformer (IDT) to achieve self-improvement in a high-level trial-and-error manner. Specifically, IDT is inspired by the efficient hierarchical structure of human decision-making and thus reconstructs the sequence to consist of high-level decisions instead of low-level actions that interact with environments. As one high-level decision can guide multi-step low-level actions, IDT naturally avoids excessively long sequences and solves online tasks more efficiently. Experimental results show that IDT achieves state-of-the-art in long-horizon tasks over current in-context RL methods. In particular, the online evaluation time of our IDT is \textbf{36$\times$} times faster than baselines in the D4RL benchmark and \textbf{27$\times$} times faster in the Grid World benchmark.
A Survey of Deep Learning Audio Generation Methods
This article presents a review of typical techniques used in three distinct aspects of deep learning model development for audio generation. In the first part of the article, we provide an explanation of audio representations, beginning with the fundamental audio waveform. We then progress to the frequency domain, with an emphasis on the attributes of human hearing, and finally introduce a relatively recent development. The main part of the article focuses on explaining basic and extended deep learning architecture variants, along with their practical applications in the field of audio generation. The following architectures are addressed: 1) Autoencoders 2) Generative adversarial networks 3) Normalizing flows 4) Transformer networks 5) Diffusion models. Lastly, we will examine four distinct evaluation metrics that are commonly employed in audio generation. This article aims to offer novice readers and beginners in the field a comprehensive understanding of the current state of the art in audio generation methods as well as relevant studies that can be explored for future research.
How In-Context Learning Emerges from Training on Unstructured Data: On the Role of Co-Occurrence, Positional Information, and Noise Structures
Wibisono, Kevin Christian, Wang, Yixin
Large language models (LLMs) like transformers have impressive in-context learning (ICL) capabilities; they can generate predictions for new queries based on input-output sequences in prompts without parameter updates. While many theories have attempted to explain ICL, they often focus on structured training data similar to ICL tasks, such as regression. In practice, however, these models are trained in an unsupervised manner on unstructured text data, which bears little resemblance to ICL tasks. To this end, we investigate how ICL emerges from unsupervised training on unstructured data. The key observation is that ICL can arise simply by modeling co-occurrence information using classical language models like continuous bag of words (CBOW), which we theoretically prove and empirically validate. Furthermore, we establish the necessity of positional information and noise structure to generalize ICL to unseen data. Finally, we present instances where ICL fails and provide theoretical explanations; they suggest that the ICL ability of LLMs to identify certain tasks can be sensitive to the structure of the training data.