Siyuan Ma

Peipei Xu, SiYuan Ma, Yaohua Liu et al.

Generating feasible Pareto fronts for constrained bi-objective continuous optimization is central to multi-criteria decision-making. Existing methods usually rely on iterative scalarization, evolutionary search, or problem-specific solvers, requiring repeated optimization for each instance. We introduce DIPS, an end-to-end framework that fine-tunes large language models as amortized Pareto-front generators for constrained bi-objective convex optimization. Given a textual problem description, DIPS directly outputs an ordered set of feasible continuous decision vectors approximating the Pareto front. To make continuous optimization compatible with autoregressive language modeling, DIPS combines a compact discretization scheme, Numerically Grounded Token Initialization for new numerical tokens, and Three-Phase Curriculum Optimization, which progressively aligns structural validity, feasibility, and Pareto-front quality. Across five families of constrained bi-objective convex problems, a fine-tuned 7B-parameter model achieves normalized hypervolume ratios of 95.29% to 98.18% relative to reference fronts. With vLLM-accelerated inference, DIPS solves one instance in as little as 0.16 seconds and outperforms general-purpose and reasoning LLM baselines under the evaluated setting. These results suggest that LLMs can serve as effective amortized generators for continuous Pareto-front approximation.

Zhijie Duan, Kai Wei, Zhaoqian Xue et al.

Social media is a rich source of real-world data that captures valuable patient experience information for pharmacovigilance. However, mining data from unstructured and noisy social media content remains a challenging task. We present a systematic framework that leverages large language models (LLMs) to extract medication side effects from social media and organize them into a knowledge graph (KG). We apply this framework to semaglutide for weight loss using data from Reddit. Using the constructed knowledge graph, we perform comprehensive analyses to investigate reported side effects across different semaglutide brands over time. These findings are further validated through comparison with adverse events reported in the FAERS database, providing important patient-centered insights into semaglutide's side effects that complement its safety profile and current knowledge base of semaglutide for both healthcare professionals and patients. Our work demonstrates the feasibility of using LLMs to transform social media data into structured KGs for pharmacovigilance.

Mikhail Belkin, Daniel Hsu, Siyuan Ma et al.

Breakthroughs in machine learning are rapidly changing science and society, yet our fundamental understanding of this technology has lagged far behind. Indeed, one of the central tenets of the field, the bias-variance trade-off, appears to be at odds with the observed behavior of methods used in the modern machine learning practice. The bias-variance trade-off implies that a model should balance under-fitting and over-fitting: rich enough to express underlying structure in data, simple enough to avoid fitting spurious patterns. However, in the modern practice, very rich models such as neural networks are trained to exactly fit (i.e., interpolate) the data. Classically, such models would be considered over-fit, and yet they often obtain high accuracy on test data. This apparent contradiction has raised questions about the mathematical foundations of machine learning and their relevance to practitioners. In this paper, we reconcile the classical understanding and the modern practice within a unified performance curve. This "double descent" curve subsumes the textbook U-shaped bias-variance trade-off curve by showing how increasing model capacity beyond the point of interpolation results in improved performance. We provide evidence for the existence and ubiquity of double descent for a wide spectrum of models and datasets, and we posit a mechanism for its emergence. This connection between the performance and the structure of machine learning models delineates the limits of classical analyses, and has implications for both the theory and practice of machine learning.

Raef Bassily, Mikhail Belkin, Siyuan Ma

Large over-parametrized models learned via stochastic gradient descent (SGD) methods have become a key element in modern machine learning. Although SGD methods are very effective in practice, most theoretical analyses of SGD suggest slower convergence than what is empirically observed. In our recent work [8] we analyzed how interpolation, common in modern over-parametrized learning, results in exponential convergence of SGD with constant step size for convex loss functions. In this note, we extend those results to a much broader non-convex function class satisfying the Polyak-Lojasiewicz (PL) condition. A number of important non-convex problems in machine learning, including some classes of neural networks, have been recently shown to satisfy the PL condition. We argue that the PL condition provides a relevant and attractive setting for many machine learning problems, particularly in the over-parametrized regime.

Like Hui, Siyuan Ma, Mikhail Belkin

We apply a fast kernel method for mask-based single-channel speech enhancement. Specifically, our method solves a kernel regression problem associated to a non-smooth kernel function (exponential power kernel) with a highly efficient iterative method (EigenPro). Due to the simplicity of this method, its hyper-parameters such as kernel bandwidth can be automatically and efficiently selected using line search with subsamples of training data. We observe an empirical correlation between the regression loss (mean square error) and regular metrics for speech enhancement. This observation justifies our training target and motivates us to achieve lower regression loss by training separate kernel model per frequency subband. We compare our method with the state-of-the-art deep neural networks on mask-based HINT and TIMIT. Experimental results show that our kernel method consistently outperforms deep neural networks while requiring less training time.

Siyuan Ma, Mikhail Belkin

Modern machine learning models are typically trained using Stochastic Gradient Descent (SGD) on massively parallel computing resources such as GPUs. Increasing mini-batch size is a simple and direct way to utilize the parallel computing capacity. For small batch an increase in batch size results in the proportional reduction in the training time, a phenomenon known as linear scaling. However, increasing batch size beyond a certain value leads to no further improvement in training time. In this paper we develop the first analytical framework that extends linear scaling to match the parallel computing capacity of a resource. The framework is designed for a class of classical kernel machines. It automatically modifies a standard kernel machine to output a mathematically equivalent prediction function, yet allowing for extended linear scaling, i.e., higher effective parallelization and faster training time on given hardware. The resulting algorithms are accurate, principled and very fast. For example, using a single Titan Xp GPU, training on ImageNet with $1.3\times 10^6$ data points and $1000$ labels takes under an hour, while smaller datasets, such as MNIST, take seconds. As the parameters are chosen analytically, based on the theoretical bounds, little tuning beyond selecting the kernel and the kernel parameter is needed, further facilitating the practical use of these methods.

Mikhail Belkin, Siyuan Ma, Soumik Mandal

Generalization performance of classifiers in deep learning has recently become a subject of intense study. Deep models, typically over-parametrized, tend to fit the training data exactly. Despite this "overfitting", they perform well on test data, a phenomenon not yet fully understood. The first point of our paper is that strong performance of overfitted classifiers is not a unique feature of deep learning. Using six real-world and two synthetic datasets, we establish experimentally that kernel machines trained to have zero classification or near zero regression error perform very well on test data, even when the labels are corrupted with a high level of noise. We proceed to give a lower bound on the norm of zero loss solutions for smooth kernels, showing that they increase nearly exponentially with data size. We point out that this is difficult to reconcile with the existing generalization bounds. Moreover, none of the bounds produce non-trivial results for interpolating solutions. Second, we show experimentally that (non-smooth) Laplacian kernels easily fit random labels, a finding that parallels results for ReLU neural networks. In contrast, fitting noisy data requires many more epochs for smooth Gaussian kernels. Similar performance of overfitted Laplacian and Gaussian classifiers on test, suggests that generalization is tied to the properties of the kernel function rather than the optimization process. Certain key phenomena of deep learning are manifested similarly in kernel methods in the modern "overfitted" regime. The combination of the experimental and theoretical results presented in this paper indicates a need for new theoretical ideas for understanding properties of classical kernel methods. We argue that progress on understanding deep learning will be difficult until more tractable "shallow" kernel methods are better understood.

Siyuan Ma, Raef Bassily, Mikhail Belkin

In this paper we aim to formally explain the phenomenon of fast convergence of SGD observed in modern machine learning. The key observation is that most modern learning architectures are over-parametrized and are trained to interpolate the data by driving the empirical loss (classification and regression) close to zero. While it is still unclear why these interpolated solutions perform well on test data, we show that these regimes allow for fast convergence of SGD, comparable in number of iterations to full gradient descent. For convex loss functions we obtain an exponential convergence bound for {\it mini-batch} SGD parallel to that for full gradient descent. We show that there is a critical batch size $m^*$ such that: (a) SGD iteration with mini-batch size $m\leq m^*$ is nearly equivalent to $m$ iterations of mini-batch size $1$ (\emph{linear scaling regime}). (b) SGD iteration with mini-batch $m> m^*$ is nearly equivalent to a full gradient descent iteration (\emph{saturation regime}). Moreover, for the quadratic loss, we derive explicit expressions for the optimal mini-batch and step size and explicitly characterize the two regimes above. The critical mini-batch size can be viewed as the limit for effective mini-batch parallelization. It is also nearly independent of the data size, implying $O(n)$ acceleration over GD per unit of computation. We give experimental evidence on real data which closely follows our theoretical analyses. Finally, we show how our results fit in the recent developments in training deep neural networks and discuss connections to adaptive rates for SGD and variance reduction.

Siyuan Ma, Mikhail Belkin

In this paper we first identify a basic limitation in gradient descent-based optimization methods when used in conjunctions with smooth kernels. An analysis based on the spectral properties of the kernel demonstrates that only a vanishingly small portion of the function space is reachable after a polynomial number of gradient descent iterations. This lack of approximating power drastically limits gradient descent for a fixed computational budget leading to serious over-regularization/underfitting. The issue is purely algorithmic, persisting even in the limit of infinite data. To address this shortcoming in practice, we introduce EigenPro iteration, based on a preconditioning scheme using a small number of approximately computed eigenvectors. It can also be viewed as learning a new kernel optimized for gradient descent. It turns out that injecting this small (computationally inexpensive and SGD-compatible) amount of approximate second-order information leads to major improvements in convergence. For large data, this translates into significant performance boost over the standard kernel methods. In particular, we are able to consistently match or improve the state-of-the-art results recently reported in the literature with a small fraction of their computational budget. Finally, we feel that these results show a need for a broader computational perspective on modern large-scale learning to complement more traditional statistical and convergence analyses. In particular, many phenomena of large-scale high-dimensional inference are best understood in terms of optimization on infinite dimensional Hilbert spaces, where standard algorithms can sometimes have properties at odds with finite-dimensional intuition. A systematic analysis concentrating on the approximation power of such algorithms within a budget of computation may lead to progress both in theory and practice.