Owing to the capability of in-context learning, large language models (LLMs) have shown impressive performance across diverse mathematical reasoning benchmarks. However, we find that few-shot demonstrations can sometimes bring negative performance and their effectiveness on LLMs' reasoning abilities remains unreliable. To this end, in this paper, we aim to theoretically analyze the impact of in-context demonstrations on LLMs' reasoning performance. We prove that the reasoning efficacy (measured by empirical prediction loss) can be bounded by a LLM-oriented semantic similarity and an inference stability of demonstrations, which is general for both one-shot and few-shot scenarios. Based on this finding, we propose a straightforward, generalizable, and low-complexity demonstration selection method named LMS3. It can adaptively facilitate to select the most pertinent samples for different LLMs and includes a novel demonstration rejection mechanism to automatically filter out samples that are unsuitable for few-shot learning. Through experiments on three representative benchmarks, two LLM backbones, and multiple few-shot settings, we verify that our LMS3 has superiority and achieves consistent improvements on all datasets, which existing methods have been unable to accomplish.

Stochastic gradients have been widely integrated into Langevin-based methods to improve their scalability and efficiency in solving large-scale sampling problems. However, the proximal sampler, which exhibits much faster convergence than Langevin-based algorithms in the deterministic setting Lee et al. (2021), has yet to be explored in its stochastic variants. In this paper, we study the Stochastic Proximal Samplers (SPS) for sampling from non-log-concave distributions. We first establish a general framework for implementing stochastic proximal samplers and establish the convergence theory accordingly. We show that the convergence to the target distribution can be guaranteed as long as the second moment of the algorithm trajectory is bounded and restricted Gaussian oracles can be well approximated. We then provide two implementable variants based on Stochastic gradient Langevin dynamics (SGLD) and Metropolis-adjusted Langevin algorithm (MALA), giving rise to SPS-SGLD and SPS-MALA. We further show that SPS-SGLD and SPS-MALA can achieve $\epsilon$-sampling error in total variation (TV) distance within $\tilde{\mathcal{O}}(d\epsilon^{-2})$ and $\tilde{\mathcal{O}}(d^{1/2}\epsilon^{-2})$ gradient complexities, which outperform the best-known result by at least an $\tilde{\mathcal{O}}(d^{1/3})$ factor. This enhancement in performance is corroborated by our empirical studies on synthetic data with various dimensions, demonstrating the efficiency of our proposed algorithm.

To generate data from trained diffusion models, most inference algorithms, such as DDPM, DDIM, and other variants, rely on discretizing the reverse SDEs or their equivalent ODEs. In this paper, we view such approaches as decomposing the entire denoising diffusion process into several segments, each corresponding to a reverse transition kernel (RTK) sampling subproblem. Specifically, DDPM uses a Gaussian approximation for the RTK, resulting in low per-subproblem complexity but requiring a large number of segments (i.e., subproblems), which is conjectured to be inefficient. To address this, we develop a general RTK framework that enables a more balanced subproblem decomposition, resulting in $\tilde O(1)$ subproblems, each with strongly log-concave targets. We then propose leveraging two fast sampling algorithms, the Metropolis-Adjusted Langevin Algorithm (MALA) and Underdamped Langevin Dynamics (ULD), for solving these strongly log-concave subproblems. This gives rise to the RTK-MALA and RTK-ULD algorithms for diffusion inference. In theory, we further develop the convergence guarantees for RTK-MALA and RTK-ULD in total variation (TV) distance: RTK-ULD can achieve $\epsilon$ target error within $\tilde{\mathcal O}(d^{1/2}\epsilon^{-1})$ under mild conditions, and RTK-MALA enjoys a $\mathcal{O}(d^{2}\log(d/\epsilon))$ convergence rate under slightly stricter conditions. These theoretical results surpass the state-of-the-art convergence rates for diffusion inference and are well supported by numerical experiments.

Understanding the dimension dependency of computational complexity in high-dimensional sampling problem is a fundamental problem, both from a practical and theoretical perspective. Compared with samplers with unbiased stationary distribution, e.g., Metropolis-adjusted Langevin algorithm (MALA), biased samplers, e.g., Underdamped Langevin Dynamics (ULD), perform better in low-accuracy cases just because a lower dimension dependency in their complexities. Along this line, Freund et al. (2022) suggest that the modified Langevin algorithm with prior diffusion is able to converge dimension independently for strongly log-concave target distributions. Nonetheless, it remains open whether such property establishes for more general cases. In this paper, we investigate the prior diffusion technique for the target distributions satisfying log-Sobolev inequality (LSI), which covers a much broader class of distributions compared to the strongly log-concave ones. In particular, we prove that the modified Langevin algorithm can also obtain the dimension-independent convergence of KL divergence with different step size schedules. The core of our proof technique is a novel construction of an interpolating SDE, which significantly helps to conduct a more accurate characterization of the discrete updates of the overdamped Langevin dynamics. Our theoretical analysis demonstrates the benefits of prior diffusion for a broader class of target distributions and provides new insights into developing faster sampling algorithms.

To sample from a general target distribution $p_*\propto e^{-f_*}$ beyond the isoperimetric condition, Huang et al. (2023) proposed to perform sampling through reverse diffusion, giving rise to Diffusion-based Monte Carlo (DMC). Specifically, DMC follows the reverse SDE of a diffusion process that transforms the target distribution to the standard Gaussian, utilizing a non-parametric score estimation. However, the original DMC algorithm encountered high gradient complexity, resulting in an exponential dependency on the error tolerance $\epsilon$ of the obtained samples. In this paper, we demonstrate that the high complexity of DMC originates from its redundant design of score estimation, and proposed a more efficient algorithm, called RS-DMC, based on a novel recursive score estimation method. In particular, we first divide the entire diffusion process into multiple segments and then formulate the score estimation step (at any time step) as a series of interconnected mean estimation and sampling subproblems accordingly, which are correlated in a recursive manner. Importantly, we show that with a proper design of the segment decomposition, all sampling subproblems will only need to tackle a strongly log-concave distribution, which can be very efficient to solve using the Langevin-based samplers with a provably rapid convergence rate. As a result, we prove that the gradient complexity of RS-DMC only has a quasi-polynomial dependency on $\epsilon$, which significantly improves exponential gradient complexity in Huang et al. (2023). Furthermore, under commonly used dissipative conditions, our algorithm is provably much faster than the popular Langevin-based algorithms. Our algorithm design and theoretical framework illuminate a novel direction for addressing sampling problems, which could be of broader applicability in the community.

The efficacy of modern generative models is commonly contingent upon the precision of score estimation along the diffusion path, with a focus on diffusion models and their ability to generate high-quality data samples. This study delves into the application of reverse diffusion to Monte Carlo sampling. It is shown that score estimation can be transformed into a mean estimation problem via the decomposition of the transition kernel. By estimating the mean of the posterior distribution, we derive a novel Monte Carlo sampling algorithm from the reverse diffusion process, which is distinct from traditional Markov Chain Monte Carlo (MCMC) methods. We calculate the error requirements and sample size for the posterior distribution, and use the result to derive an algorithm that can approximate the target distribution to any desired accuracy. Additionally, by estimating the log-Sobolev constant of the posterior distribution, we show under suitable conditions the problem of sampling from the posterior can be easier than direct sampling from the target distribution using traditional MCMC techniques. For Gaussian mixture models, we demonstrate that the new algorithm achieves significant improvement over the traditional Langevin-style MCMC sampling methods both theoretically and practically. Our algorithm offers a new perspective and solution beyond classical MCMC algorithms for challenging complex distributions.

Recent advances in the field of network embedding have shown the low-dimensional network representation is playing a critical role in network analysis. However, most of the existing principles of network embedding do not incorporate auxiliary information such as content and labels of nodes flexibly. In this paper, we take a matrix factorization perspective of network embedding, and incorporate structure, content and label information of the network simultaneously. For structure, we validate that the matrix we construct preserves high-order proximities of the network. Label information can be further integrated into the matrix via the process of random walk sampling to enhance the quality of embedding in an unsupervised manner, i.e., without leveraging downstream classifiers. In addition, we generalize the Skip-Gram Negative Sampling model to integrate the content of the network in a matrix factorization framework. As a consequence, network embedding can be learned in a unified framework integrating network structure and node content as well as label information simultaneously. We demonstrate the efficacy of the proposed model with the tasks of semi-supervised node classification and link prediction on a variety of real-world benchmark network datasets.

Collaborative filtering (CF), particularly matrix factorization (MF) based methods, have been widely used in recommender systems. The literature has reported that matrix factorization methods often produce superior accuracy of rating prediction in recommender systems. However, existing matrix factorization methods rarely consider confidence of the rating prediction and thus cannot support advanced recommendation tasks. In this paper, we propose a Confidence-aware Matrix Factorization (CMF) framework to simultaneously optimize the accuracy of rating prediction and measure the prediction confidence in the model. Specifically, we introduce variance parameters for both users and items in the matrix factorization process. Then, prediction interval can be computed to measure confidence for each predicted rating. These confidence quantities can be used to enhance the quality of recommendation results based on Confidence-aware Ranking (CR). We also develop two effective implementations of our framework to compute the confidence-aware matrix factorization for large-scale data. Finally, extensive experiments on three real-world datasets demonstrate the effectiveness of our framework from multiple perspectives.