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Mengdi Wang

Publications and source records attributed to Mengdi Wang.

At least 163 records · Page 9Linked to original sources
arXiv2024

Global Convergence in Training Large-Scale Transformers

Despite the widespread success of Transformers across various domains, their optimization guarantees in large-scale model settings are not well-understood. This paper rigorously analyzes the convergence properties of gradient flow in training Transformers with weight decay regularization. First, we construct the mean-field limit of large-scale Transformers, showing that as the model width and depth go to infinity, gradient flow converges to the Wasserstein gradient flow, which is represented by a partial differential equation. Then, we demonstrate that the gradient flow reaches a global minimum consistent with the PDE solution when the weight decay regularization parameter is sufficiently small. Our analysis is based on a series of novel mean-field techniques that adapt to Transformers. Compared with existing tools for deep networks (Lu et al., 2020) that demand homogeneity and global Lipschitz smoothness, we utilize a refined analysis assuming only $\textit{partial homogeneity}$ and $\textit{local Lipschitz smoothness}$. These new techniques may be of independent interest.

stat.ML↗
arXiv2024

A Theoretical Perspective for Speculative Decoding Algorithm

Transformer-based autoregressive sampling has been the major bottleneck for slowing down large language model inferences. One effective way to accelerate inference is \emph{Speculative Decoding}, which employs a small model to sample a sequence of draft tokens and a large model to validate. Given its empirical effectiveness, the theoretical understanding of Speculative Decoding is falling behind. This paper tackles this gap by conceptualizing the decoding problem via markov chain abstraction and studying the key properties, \emph{output quality and inference acceleration}, from a theoretical perspective. Our analysis covers the theoretical limits of speculative decoding, batch algorithms, and output quality-inference acceleration tradeoffs. Our results reveal the fundamental connections between different components of LLMs via total variation distances and show how they jointly affect the efficiency of decoding algorithms.

cs.LG↗
arXiv2024

Assessing the Brittleness of Safety Alignment via Pruning and Low-Rank Modifications

Large language models (LLMs) show inherent brittleness in their safety mechanisms, as evidenced by their susceptibility to jailbreaking and even non-malicious fine-tuning. This study explores this brittleness of safety alignment by leveraging pruning and low-rank modifications. We develop methods to identify critical regions that are vital for safety guardrails, and that are disentangled from utility-relevant regions at both the neuron and rank levels. Surprisingly, the isolated regions we find are sparse, comprising about $3\%$ at the parameter level and $2.5\%$ at the rank level. Removing these regions compromises safety without significantly impacting utility, corroborating the inherent brittleness of the model's safety mechanisms. Moreover, we show that LLMs remain vulnerable to low-cost fine-tuning attacks even when modifications to the safety-critical regions are restricted. These findings underscore the urgent need for more robust safety strategies in LLMs.

cs.LG↗
arXiv2024

An Interface Tracking Method with Triangle Edge Cuts

This paper introduces a volume-conserving interface tracking algorithm on unstructured triangle meshes. We propose to discretize the interface via triangle edge cuts which represent the intersections between the interface and the triangle mesh edges using a compact 6 numbers per triangle. This enables an efficient implicit representation of the sub-triangle polygonal material regions without explicitly storing connectivity information. Moreover, we propose an efficient advection algorithm for this interface representation that is based on geometric queries and does not require an optimization process. This advection algorithm is extended via an area correction step that enforces volume-conservation of the materials. We demonstrate the efficacy of our method on a variety of advection problems on a triangle mesh and compare its performance to existing interface tracking methods including VOF and MOF.

cs.GR↗
arXiv2024

COMET: Towards Partical W4A4KV4 LLMs Serving

Quantization is a widely-used compression technology to reduce the overhead of serving large language models (LLMs) on terminal devices and in cloud data centers. However, prevalent quantization methods, such as 8-bit weight-activation or 4-bit weight-only quantization, achieve limited performance improvements due to poor support for low-precision (e.g., 4-bit) activation. This work, for the first time, realizes practical W4A4KV4 serving for LLMs, fully utilizing the INT4 tensor cores on modern GPUs and reducing the memory bottleneck caused by the KV cache. Specifically, we propose a novel fine-grained mixed-precision quantization algorithm (FMPQ) that compresses most activations into 4-bit with negligible accuracy loss. To support mixed-precision matrix multiplication for W4A4 and W4A8, we develop a highly optimized W4Ax kernel. Our approach introduces a novel mixed-precision data layout to facilitate access and fast dequantization for activation and weight tensors, utilizing the GPU's software pipeline to hide the overhead of data loading and conversion. Additionally, we propose fine-grained streaming multiprocessor (SM) scheduling to achieve load balance across different SMs. We integrate the optimized W4Ax kernel into our inference framework, COMET, and provide efficient management to support popular LLMs such as LLaMA-3-70B. Extensive evaluations demonstrate that, when running LLaMA family models on a single A100-80G-SMX4, COMET achieves a kernel-level speedup of \textbf{$2.88\times$} over cuBLAS and a \textbf{$2.02 \times$} throughput improvement compared to TensorRT-LLM from an end-to-end framework perspective.

cs.AR↗
arXiv2024

Gradient Guidance for Diffusion Models: An Optimization Perspective

Diffusion models have demonstrated empirical successes in various applications and can be adapted to task-specific needs via guidance. This paper studies a form of gradient guidance for adapting a pre-trained diffusion model towards optimizing user-specified objectives. We establish a mathematical framework for guided diffusion to systematically study its optimization theory and algorithmic design. Our theoretical analysis spots a strong link between guided diffusion models and optimization: gradient-guided diffusion models are essentially sampling solutions to a regularized optimization problem, where the regularization is imposed by the pre-training data. As for guidance design, directly bringing in the gradient of an external objective function as guidance would jeopardize the structure in generated samples. We investigate a modified form of gradient guidance based on a forward prediction loss, which leverages the information in pre-trained score functions and provably preserves the latent structure. We further consider an iteratively fine-tuned version of gradient-guided diffusion where guidance and score network are both updated with newly generated samples. This process mimics a first-order optimization iteration in expectation, for which we proved O(1/K) convergence rate to the global optimum when the objective function is concave. Our code will be released at https://github.com/yukang123/GGDMOptim.git.

stat.ML↗
arXiv2024

Quantitative asymptotics for polynomial patterns in the primes

We prove quantitative estimates for averages of the von Mangoldt and Möbius functions along polynomial progressions $n+P_1(m),\ldots, n+P_k(m)$ for a large class of polynomials $P_i$. The error terms obtained save an arbitrary power of logarithm, matching the classical Siegel--Walfisz error term. These results give the first quantitative bounds for the Tao--Ziegler polynomial patterns in the primes result. The proofs are based on a quantitative generalised von Neumann theorem of Peluse, a recent result of Leng on strong bounds for the Gowers uniformity of the primes, and analysis of a ``Siegel model'' for the von Mangoldt function along polynomial progressions.

math.NT↗
arXiv2024

Rectified Diffusion: Straightness Is Not Your Need in Rectified Flow

Diffusion models have greatly improved visual generation but are hindered by slow generation speed due to the computationally intensive nature of solving generative ODEs. Rectified flow, a widely recognized solution, improves generation speed by straightening the ODE path. Its key components include: 1) using the diffusion form of flow-matching, 2) employing $\boldsymbol v$-prediction, and 3) performing rectification (a.k.a. reflow). In this paper, we argue that the success of rectification primarily lies in using a pretrained diffusion model to obtain matched pairs of noise and samples, followed by retraining with these matched noise-sample pairs. Based on this, components 1) and 2) are unnecessary. Furthermore, we highlight that straightness is not an essential training target for rectification; rather, it is a specific case of flow-matching models. The more critical training target is to achieve a first-order approximate ODE path, which is inherently curved for models like DDPM and Sub-VP. Building on this insight, we propose Rectified Diffusion, which generalizes the design space and application scope of rectification to encompass the broader category of diffusion models, rather than being restricted to flow-matching models. We validate our method on Stable Diffusion v1-5 and Stable Diffusion XL. Our method not only greatly simplifies the training procedure of rectified flow-based previous works (e.g., InstaFlow) but also achieves superior performance with even lower training cost. Our code is available at https://github.com/G-U-N/Rectified-Diffusion.

cs.CV↗
arXiv2024

Smooth numbers are orthogonal to nilsequences

The aim of this paper is to study distributional properties of integers without large or small prime factors. Define an integer to be $[y',y]$-smooth if all of its prime factors belong to the interval $[y',y]$. We identify suitable weights $g_{[y',y]}(n)$ for the characteristic function of $[y',y]$-smooth numbers that allow us to establish strong asymptotic results on their distribution in short arithmetic progressions. Building on these equidistribution properties, we show that (a $W$-tricked version of) the function $g_{[y',y]}(n) - 1$ is orthogonal to nilsequences. Our results apply in the almost optimal range $(\log N)^{K} < y \leq N$ of the smoothness parameter $y$, where $K \geq 2$ is sufficiently large, and to any $y' < \min(\sqrt{y}, (\log N)^c)$. As a first application, we establish for any $y> N^{1/\sqrt{\log_9 N}}$ asymptotic results on the frequency with which an arbitrary finite complexity system of shifted linear forms $ψ_j (\mathbf{n}) + a_j \in \mathbb{Z}[n_1, \dots, n_s]$, $1 \leq j \leq r$, simultaneously takes $[y',y]$-smooth values as the $n_i$ vary over integers below $N$.

math.NT↗
arXiv2024

Latent Diffusion Models for Controllable RNA Sequence Generation

This work presents RNAdiffusion, a latent diffusion model for generating and optimizing discrete RNA sequences of variable lengths. RNA is a key intermediary between DNA and protein, exhibiting high sequence diversity and complex three-dimensional structures to support a wide range of functions. We utilize pretrained BERT-type models to encode raw RNA sequences into token-level, biologically meaningful representations. A Query Transformer is employed to compress such representations into a set of fixed-length latent vectors, with an autoregressive decoder trained to reconstruct RNA sequences from these latent variables. We then develop a continuous diffusion model within this latent space. To enable optimization, we integrate the gradients of reward models--surrogates for RNA functional properties--into the backward diffusion process, thereby generating RNAs with high reward scores. Empirical results confirm that RNAdiffusion generates non-coding RNAs that align with natural distributions across various biological metrics. Further, we fine-tune the diffusion model on mRNA 5' untranslated regions (5'-UTRs) and optimize sequences for high translation efficiencies. Our guided diffusion model effectively generates diverse 5'-UTRs with high Mean Ribosome Loading (MRL) and Translation Efficiency (TE), outperforming baselines in balancing rewards and structural stability trade-off. Our findings hold potential for advancing RNA sequence-function research and therapeutic RNA design.

cs.LG↗
arXiv2024

FlexSBDD: Structure-Based Drug Design with Flexible Protein Modeling

Structure-based drug design (SBDD), which aims to generate 3D ligand molecules binding to target proteins, is a fundamental task in drug discovery. Existing SBDD methods typically treat protein as rigid and neglect protein structural change when binding with ligand molecules, leading to a big gap with real-world scenarios and inferior generation qualities (e.g., many steric clashes). To bridge the gap, we propose FlexSBDD, a deep generative model capable of accurately modeling the flexible protein-ligand complex structure for ligand molecule generation. FlexSBDD adopts an efficient flow matching framework and leverages E(3)-equivariant network with scalar-vector dual representation to model dynamic structural changes. Moreover, novel data augmentation schemes based on structure relaxation/sidechain repacking are adopted to boost performance. Extensive experiments demonstrate that FlexSBDD achieves state-of-the-art performance in generating high-affinity molecules and effectively modeling the protein's conformation change to increase favorable protein-ligand interactions (e.g., Hydrogen bonds) and decrease steric clashes.

q-bio.BM↗
arXiv2024

Deep Reinforcement Learning for Efficient and Fair Allocation of Health Care Resources

Scarcity of health care resources could result in the unavoidable consequence of rationing. For example, ventilators are often limited in supply, especially during public health emergencies or in resource-constrained health care settings, such as amid the pandemic of COVID-19. Currently, there is no universally accepted standard for health care resource allocation protocols, resulting in different governments prioritizing patients based on various criteria and heuristic-based protocols. In this study, we investigate the use of reinforcement learning for critical care resource allocation policy optimization to fairly and effectively ration resources. We propose a transformer-based deep Q-network to integrate the disease progression of individual patients and the interaction effects among patients during the critical care resource allocation. We aim to improve both fairness of allocation and overall patient outcomes. Our experiments demonstrate that our method significantly reduces excess deaths and achieves a more equitable distribution under different levels of ventilator shortage, when compared to existing severity-based and comorbidity-based methods in use by different governments. Our source code is included in the supplement and will be released on Github upon publication.

cs.LG↗
arXiv2024

Conversational Dueling Bandits in Generalized Linear Models

Conversational recommendation systems elicit user preferences by interacting with users to obtain their feedback on recommended commodities. Such systems utilize a multi-armed bandit framework to learn user preferences in an online manner and have received great success in recent years. However, existing conversational bandit methods have several limitations. First, they only enable users to provide explicit binary feedback on the recommended items or categories, leading to ambiguity in interpretation. In practice, users are usually faced with more than one choice. Relative feedback, known for its informativeness, has gained increasing popularity in recommendation system design. Moreover, current contextual bandit methods mainly work under linear reward assumptions, ignoring practical non-linear reward structures in generalized linear models. Therefore, in this paper, we introduce relative feedback-based conversations into conversational recommendation systems through the integration of dueling bandits in generalized linear models (GLM) and propose a novel conversational dueling bandit algorithm called ConDuel. Theoretical analyses of regret upper bounds and empirical validations on synthetic and real-world data underscore ConDuel's efficacy. We also demonstrate the potential to extend our algorithm to multinomial logit bandits with theoretical and experimental guarantees, which further proves the applicability of the proposed framework.

cs.LG↗
arXiv2024

Natural language is not enough: Benchmarking multi-modal generative AI for Verilog generation

Natural language interfaces have exhibited considerable potential in the automation of Verilog generation derived from high-level specifications through the utilization of large language models, garnering significant attention. Nevertheless, this paper elucidates that visual representations contribute essential contextual information critical to design intent for hardware architectures possessing spatial complexity, potentially surpassing the efficacy of natural-language-only inputs. Expanding upon this premise, our paper introduces an open-source benchmark for multi-modal generative models tailored for Verilog synthesis from visual-linguistic inputs, addressing both singular and complex modules. Additionally, we introduce an open-source visual and natural language Verilog query language framework to facilitate efficient and user-friendly multi-modal queries. To evaluate the performance of the proposed multi-modal hardware generative AI in Verilog generation tasks, we compare it with a popular method that relies solely on natural language. Our results demonstrate a significant accuracy improvement in the multi-modal generated Verilog compared to queries based solely on natural language. We hope to reveal a new approach to hardware design in the large-hardware-design-model era, thereby fostering a more diversified and productive approach to hardware design.

cs.AR↗
arXiv2024

Data is all you need: Finetuning LLMs for Chip Design via an Automated design-data augmentation framework

Recent advances in large language models have demonstrated their potential for automated generation of hardware description language (HDL) code from high-level prompts. Researchers have utilized fine-tuning to enhance the ability of these large language models (LLMs) in the field of Chip Design. However, the lack of Verilog data hinders further improvement in the quality of Verilog generation by LLMs. Additionally, the absence of a Verilog and Electronic Design Automation (EDA) script data augmentation framework significantly increases the time required to prepare the training dataset for LLM trainers. This paper proposes an automated design-data augmentation framework, which generates high-volume and high-quality natural language aligned with Verilog and EDA scripts. For Verilog generation, it translates Verilog files to an abstract syntax tree and then maps nodes to natural language with a predefined template. For Verilog repair, it uses predefined rules to generate the wrong verilog file and then pairs EDA Tool feedback with the right and wrong verilog file. For EDA Script generation, it uses existing LLM(GPT-3.5) to obtain the description of the Script. To evaluate the effectiveness of our data augmentation method, we finetune Llama2-13B and Llama2-7B models using the dataset generated by our augmentation framework. The results demonstrate a significant improvement in the Verilog generation tasks with LLMs. Moreover, the accuracy of Verilog generation surpasses that of the current state-of-the-art open-source Verilog generation model, increasing from 58.8% to 70.6% with the same benchmark. Our 13B model (ChipGPT-FT) has a pass rate improvement compared with GPT-3.5 in Verilog generation and outperforms in EDA script (i.e., SiliconCompiler) generation with only 200 EDA script data.

cs.AR↗
arXiv2024

Local Fourier uniformity of higher divisor functions on average

Let $τ_k$ be the $k$-fold divisor function. By constructing an approximant of $τ_k$, denoted as $τ_k^*$, which is a normalized truncation of the $k$-fold divisor function, we prove that when $\exp\left(C\log^{1/2}X(\log\log X)^{1/2}\right)\leq H\leq X$ and $C>0$ is sufficiently large, the following estimate holds for almost all $x\in[X,2X]$: \[ \Big|\sum_{x<n\leq x+H}(τ_k(n)-τ_k^*(n)) e(α_dn^d+\cdots+α_1n)\Big|=o(H\log^{k-1}X), \] where $α_1, \dots, α_d\in \mathbb{R}$ are arbitrary frequencies.

math.NT↗
arXiv2024

Contractual Reinforcement Learning: Pulling Arms with Invisible Hands

The agency problem emerges in today's large scale machine learning tasks, where the learners are unable to direct content creation or enforce data collection. In this work, we propose a theoretical framework for aligning economic interests of different stakeholders in the online learning problems through contract design. The problem, termed \emph{contractual reinforcement learning}, naturally arises from the classic model of Markov decision processes, where a learning principal seeks to optimally influence the agent's action policy for their common interests through a set of payment rules contingent on the realization of next state. For the planning problem, we design an efficient dynamic programming algorithm to determine the optimal contracts against the far-sighted agent. For the learning problem, we introduce a generic design of no-regret learning algorithms to untangle the challenges from robust design of contracts to the balance of exploration and exploitation, reducing the complexity analysis to the construction of efficient search algorithms. For several natural classes of problems, we design tailored search algorithms that provably achieve $\tilde{O}(\sqrt{T})$ regret. We also present an algorithm with $\tilde{O}(T^{2/3})$ for the general problem that improves the existing analysis in online contract design with mild technical assumptions.

cs.LG↗