Yinan Li

Yinan Li, Fang Liu

We propose the AdaPtive Noise Augmentation (PANDA) procedure to regularize the estimation and inference of generalized linear models (GLMs). PANDA iteratively optimizes the objective function given noise augmented data until convergence to obtain the regularized model estimates. The augmented noises are designed to achieve various regularization effects, including $l_0$, bridge (lasso and ridge included), elastic net, adaptive lasso, and SCAD, as well as group lasso and fused ridge. We examine the tail bound of the noise-augmented loss function and establish the almost sure convergence of the noise-augmented loss function and its minimizer to the expected penalized loss function and its minimizer, respectively. We derive the asymptotic distributions for the regularized parameters, based on which, inferences can be obtained simultaneously with variable selection. PANDA exhibits ensemble learning behaviors that help further decrease the generalization error. Computationally, PANDA is easy to code, leveraging existing software for implementing GLMs, without resorting to complicated optimization techniques. We demonstrate the superior or similar performance of PANDA against the existing approaches of the same type of regularizers in simulated and real-life data. We show that the inferences through PANDA achieve nominal or near-nominal coverage and are far more efficient compared to a popular existing post-selection procedure.

Zhan Yu, Qiuhao Chen, Yuling Jiao et al.

Parameterized quantum circuits (PQCs) have emerged as a promising approach for quantum neural networks. However, understanding their expressive power in accomplishing machine learning tasks remains a crucial question. This paper investigates the expressivity of PQCs for approximating general multivariate function classes. Unlike previous Universal Approximation Theorems for PQCs, which are either nonconstructive or rely on parameterized classical data processing, we explicitly construct data re-uploading PQCs for approximating multivariate polynomials and smooth functions. We establish the first non-asymptotic approximation error bounds for these functions in terms of the number of qubits, quantum circuit depth, and number of trainable parameters. Notably, we demonstrate that for approximating functions that satisfy specific smoothness criteria, the quantum circuit size and number of trainable parameters of our proposed PQCs can be smaller than those of deep ReLU neural networks. We further validate the approximation capability of PQCs through numerical experiments. Our results provide a theoretical foundation for designing practical PQCs and quantum neural networks for machine learning tasks that can be implemented on near-term quantum devices, paving the way for the advancement of quantum machine learning.

Jiaxin Pan, Mojtaba Nayyeri, Yinan Li et al.

Temporal knowledge graphs represent temporal facts $(s,p,o,τ)$ relating a subject $s$ and an object $o$ via a relation label $p$ at time $τ$, where $τ$ could be a time point or time interval. Temporal knowledge graphs may exhibit static temporal patterns at distinct points in time and dynamic temporal patterns between different timestamps. In order to learn a rich set of static and dynamic temporal patterns and apply them for inference, several embedding approaches have been suggested in the literature. However, as most of them resort to single underlying embedding spaces, their capability to model all kinds of temporal patterns was severely limited by having to adhere to the geometric property of their one embedding space. We lift this limitation by an embedding approach that maps temporal facts into a product space of several heterogeneous geometric subspaces with distinct geometric properties, i.e.\ Complex, Dual, and Split-complex spaces. In addition, we propose a temporal-geometric attention mechanism to integrate information from different geometric subspaces conveniently according to the captured relational and temporal information. Experimental results on standard temporal benchmark datasets favorably evaluate our approach against state-of-the-art models.

Yinan Li, Chicheng Zhang

We study the problem of computationally and label efficient PAC active learning $d$-dimensional halfspaces with Tsybakov Noise~\citep{tsybakov2004optimal} under structured unlabeled data distributions. Inspired by~\cite{diakonikolas2020learning}, we prove that any approximate first-order stationary point of a smooth nonconvex loss function yields a halfspace with a low excess error guarantee. In light of the above structural result, we design a nonconvex optimization-based algorithm with a label complexity of $\tilde{O}(d (\frac{1}ε)^{\frac{8-6α}{3α-1}})$, under the assumption that the Tsybakov noise parameter $α\in (\frac13, 1]$, which narrows down the gap between the label complexities of the previously known efficient passive or active algorithms~\citep{diakonikolas2020polynomial,zhang2021improved} and the information-theoretic lower bound in this setting.

Fangyikang Wang, Hubery Yin, Lei Qian et al.

The diffusion models (DMs) have demonstrated the remarkable capability of generating images via learning the noised score function of data distribution. Current DM sampling techniques typically rely on first-order Langevin dynamics at each noise level, with efforts concentrated on refining inter-level denoising strategies. While leveraging additional second-order Hessian geometry to enhance the sampling quality of Langevin is a common practice in Markov chain Monte Carlo (MCMC), the naive attempts to utilize Hessian geometry in high-dimensional DMs lead to quadratic-complexity computational costs, rendering them non-scalable. In this work, we introduce a novel Levenberg-Marquardt-Langevin (LML) method that approximates the diffusion Hessian geometry in a training-free manner, drawing inspiration from the celebrated Levenberg-Marquardt optimization algorithm. Our approach introduces two key innovations: (1) A low-rank approximation of the diffusion Hessian, leveraging the DMs' inherent structure and circumventing explicit quadratic-complexity computations; (2) A damping mechanism to stabilize the approximated Hessian. This LML approximated Hessian geometry enables the diffusion sampling to execute more accurate steps and improve the image generation quality. We further conduct a theoretical analysis to substantiate the approximation error bound of low-rank approximation and the convergence property of the damping mechanism. Extensive experiments across multiple pretrained DMs validate that the LML method significantly improves image generation quality, with negligible computational overhead.

Fangyikang Wang, Hubery Yin, Shaobin Zhuang et al.

Recent Diffusion models (DMs) advancements have explored incorporating the second-order diffusion Fisher information (DF), defined as the negative Hessian of log density, into various downstream tasks and theoretical analysis. However, current practices typically approximate the diffusion Fisher by applying auto-differentiation to the learned score network. This black-box method, though straightforward, lacks any accuracy guarantee and is time-consuming. In this paper, we show that the diffusion Fisher actually resides within a space spanned by the outer products of score and initial data. Based on the outer-product structure, we develop two efficient approximation algorithms to access the trace and matrix-vector multiplication of DF, respectively. These algorithms bypass the auto-differentiation operations with time-efficient vector-product calculations. Furthermore, we establish the approximation error bounds for the proposed algorithms. Experiments in likelihood evaluation and adjoint optimization demonstrate the superior accuracy and reduced computational cost of our proposed algorithms. Additionally, based on the novel outer-product formulation of DF, we design the first numerical verification experiment for the optimal transport property of the general PF-ODE deduced map.

Chicheng Zhang, Yinan Li

We give a computationally-efficient PAC active learning algorithm for $d$-dimensional homogeneous halfspaces that can tolerate Massart noise (Massart and Nédélec, 2006) and Tsybakov noise (Tsybakov, 2004). Specialized to the $η$-Massart noise setting, our algorithm achieves an information-theoretically near-optimal label complexity of $\tilde{O}\left( \frac{d}{(1-2η)^2} \mathrm{polylog}(\frac1ε) \right)$ under a wide range of unlabeled data distributions (specifically, the family of "structured distributions" defined in Diakonikolas et al. (2020)). Under the more challenging Tsybakov noise condition, we identify two subfamilies of noise conditions, under which our efficient algorithm provides label complexity guarantees strictly lower than passive learning algorithms.

Chuanzheng Wang, Yinan Li, Stephen L. Smith et al.

In this paper, we propose a model-free reinforcement learning method to synthesize control policies for motion planning problems with continuous states and actions. The robot is modelled as a labeled discrete-time Markov decision process (MDP) with continuous state and action spaces. Linear temporal logics (LTL) are used to specify high-level tasks. We then train deep neural networks to approximate the value function and policy using an actor-critic reinforcement learning method. The LTL specification is converted into an annotated limit-deterministic Büchi automaton (LDBA) for continuously shaping the reward so that dense rewards are available during training. A naïve way of solving a motion planning problem with LTL specifications using reinforcement learning is to sample a trajectory and then assign a high reward for training if the trajectory satisfies the entire LTL formula. However, the sampling complexity needed to find such a trajectory is too high when we have a complex LTL formula for continuous state and action spaces. As a result, it is very unlikely that we get enough reward for training if all sample trajectories start from the initial state in the automata. In this paper, we propose a method that samples not only an initial state from the state space, but also an arbitrary state in the automata at the beginning of each training episode. We test our algorithm in simulation using a car-like robot and find out that our method can learn policies for different working configurations and LTL specifications successfully.