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Theory · Learning Theory

Ryotaro Kawata, Kohsei Matsutani, Yuri Kinoshita, Naoki Nishikawa, Taiji Suzuki

Mixture of Experts (MoE), an ensemble of specialized models equipped with a router that dynamically distributes each input to appropriate experts, has achieved successful results in the field of machine learning. However, theoretical understanding of this architecture is falling behind due to its inherent complexity. In this paper, we theoretically study the sample and runtime complexity of MoE following the stochastic gradient descent when learning a regression task with an underlying cluster structure of single index models. On the one hand, we show that a vanilla neural network fails in detecting such a latent organization as it can only process the problem as a whole. This is intrinsically related to the concept of *information exponent* which is low for each cluster, but increases when we consider the entire task. On the other hand, with a MoE, we show that it succeeds in dividing the problem into easier subproblems by leveraging the ability of each expert to weakly recover the simpler function corresponding to an individual cluster. To the best of our knowledge, this work is among the first to explore the benefits of the MoE framework by examining its SGD dynamics in the context of nonlinear regression.

Social Aspects · Alignment

Rei Higuchi, Taiji Suzuki

Aligning large language models (LLMs) with human preferences is crucial for safe deployment, yet existing methods assume specific preference models like Bradley-Terry model.This assumption leads to statistical inconsistency, where more data doesn't guarantee convergence to true human preferences.To address this critical gap, we introduce a novel alignment method Direct Density Ratio Optimization (DDRO).DDRO directly estimates the density ratio between preferred and unpreferred output distributions, circumventing the need for explicit human preference modeling.We theoretically prove that DDRO is statistically consistent, ensuring convergence to the true preferred distribution as the data size grows, regardless of the underlying preference structure.Experiments demonstrate that DDRO achieves superior performance compared to existing methods, showcasing its effectiveness and potential for significant improvement.DDRO unlocks the potential for truly data-driven alignment, paving the way for more reliable and human-aligned LLMs.

Reinforcement Learning · Multi-agent

Harsh Goel, Mohammad Omama, Behdad Chalaki, Vaishnav Tadiparthi, Ehsan Moradi Pari, Sandeep Chinchali

Multi-agent reinforcement learning (MARL) has achieved significant progress in large-scale traffic control, autonomous vehicles, and robotics. Drawing inspiration from biological systems where roles naturally emerge to enable coordination, role-based MARL methods have been proposed to enhance cooperation learning for complex tasks. However, existing methods exclusively derive roles from an agent's past experience during training, neglecting their influence on its future trajectories. This paper introduces a key insight: an agent’s role should shape its future behavior to enable effective coordination. Hence, we propose Role Discovery and Diversity through Dynamics Models (R3DM), a novel role-based MARL framework that learns emergent roles by maximizing the mutual information between agents' roles, observed trajectories, and expected future behaviors. R3DM optimizes the proposed objective through contrastive learning on past trajectories to first derive intermediate roles that shape intrinsic rewards to promote diversity in future behaviors across different roles through a learned dynamics model. Benchmarking on SMAC and SMACv2 environments demonstrates that R3DM outperforms state-of-the-art MARL approaches, improving multi-agent coordination to increase win rates by up to 20%. The code is available at https://github.com/UTAustin-SwarmLab/R3DM.

Deep Learning · Large Language Models

Mingjie Sun, Yida Yin, Zhiqiu (Oscar) Xu, Zico Kolter, Zhuang Liu

In this work, we unveil and study idiosyncrasies in Large Language Models (LLMs) -- unique patterns in their outputs that can be used to distinguish the models. To do so, we consider a simple classification task: given a particular text output, the objective is to predict the source LLM that generates the text. We evaluate this synthetic task across various groups of LLMs and find that simply fine-tuning text embedding models on LLM-generated texts yields excellent classification accuracy. Notably, we achieve 97.1\% accuracy on held-out validation data in the five-way classification problem involving ChatGPT, Claude, Grok, Gemini, and DeepSeek. Our further investigation reveals that these idiosyncrasies are rooted in word-level distributions. These patterns persist even when the texts are rewritten, translated, or summarized by an external LLM, suggesting that they are also encoded in the semantic content. Additionally, we leverage LLM as judges to generate detailed, open-ended descriptions of each model's idiosyncrasies. Finally, we discuss the broader implications of our findings, including training on synthetic data, inferring model similarity, and robust evaluation of LLMs.

Theory · Optimization

Martin Van Waerebeke, Marco Lorenzi, Giovanni Neglia, Kevin Scaman

Machine Unlearning (MU) aims at removing the influence of specific data points from a trained model, striving to achieve this at a fraction of the cost of full model retraining. In this paper, we analyze the efficiency of unlearning methods and establish the first upper and lower bounds on minimax computation times for this problem, characterizing the performance of the most efficient algorithm against the most difficult objective function. Specifically, for strongly convex objective functions and under the assumption that the forget data is inaccessible to the unlearning method, we provide a phase diagram for the *unlearning complexity ratio*---a novel metric that compares the computational cost of the best unlearning method to full model retraining. The phase diagram reveals three distinct regimes: one where unlearning at a reduced cost is infeasible, another where unlearning is trivial because adding noise suffices, and a third where unlearning achieves significant computational advantages over retraining. These findings highlight the critical role of factors such as data dimensionality, the number of samples to forget, and privacy constraints in determining the practical feasibility of unlearning.

Deep Learning · Large Language Models

Jingyu Liu, Beidi Chen, Ce Zhang

Improving time-to-first-token (TTFT) is an essentially important objective in modern large language model (LLM) inference engines. Optimizing TTFT directly results in higher maximal QPS and meets the requirements of many critical applications. However, boosting TTFT is notoriously challenging since it is compute-bounded and the performance bottleneck shifts from the self-attention that many prior works focus on to the MLP part. In this work, we present SpecPrefill, a training free framework that accelerates the inference TTFT for both long and medium context queries based on the following insight: LLMs are generalized enough to preserve the quality given only a carefully chosen subset of prompt tokens. At its core, SpecPrefill leverages a lightweight model to speculate locally important tokens based on the context. These tokens, along with the necessary positional information, are then sent to the main model for processing. We evaluate SpecPrefill with a diverse set of tasks, followed by a comprehensive benchmarking of performance improvement both in a real end-to-end setting and ablation studies. SpecPrefill manages to serve Llama-3.1-405B-Instruct-FP8 with up to 7$\times$ maximal end-to-end QPS on real downstream tasks and 7.66$\times$ TTFT improvement.

Probabilistic Methods · Variational Inference

Tuan Truong, Quyen Tran, Ngoc Quan Pham, Nhat Ho, Dinh Phung, Trung Le

We introduce Flat Hilbert Bayesian Inference (FHBI), an algorithm designed to enhance generalization in Bayesian inference. Our approach involves an iterative two-step procedure with an adversarial functional perturbation step and a functional descent step within the reproducing kernel Hilbert spaces. This methodology is supported by a theoretical analysis that extends previous findings on generalization ability from finite-dimensional Euclidean spaces to infinite-dimensional functional spaces. To evaluate the effectiveness of FHBI, we conduct comprehensive comparisons against nine baseline methods on the VTAB-1K benchmark, which encompasses 19 diverse datasets across various domains with diverse semantics. Empirical results demonstrate that FHBI consistently outperforms the baselines by notable margins, highlighting its practical efficacy.

Theory · Online Learning and Bandits

Joe Suk, Jung-hun Kim

We study an infinite-armed bandit problem where actions' mean rewards are initially sampled from a _reservoir distribution_. Most prior works in this setting focused on stationary rewards (Berry et al., 1997; Wang et al., 2008; Bonald and Proutiere, 2013; Carpentier and Valko, 2015) with the more challenging adversarial/non-stationary variant only recently studied in the context of rotting/decreasing rewards (Kim et al., 2022; 2024). Furthermore, optimal regret upper bounds were only achieved using parameter knowledge of non-stationarity and only known for certain regimes of regularity of the reservoir. This work shows the first parameter-free optimal regret bounds while also relaxing these distributional assumptions. We also study a natural notion of _significant shift_ for this problem inspired by recent developments in finite-armed MAB (Suk & Kpotufe, 2022). We show that tighter regret bounds in terms of significant shifts can be adaptively attained. Our enhanced rates only depend on the rotting non-stationarity and thus exhibit an interesting phenomenon for this problem where rising non-stationarity does not factor into the difficulty of non-stationarity.

General Machine Learning · Transfer, Multitask and Meta-learning

Tuan Truong, Chau Nguyen, Huy Nguyen, Minh Le, Trung Le, Nhat Ho

Low-rank Adaptation (LoRA) has emerged as a powerful and efficient method for fine-tuning large-scale foundation models. Despite its popularity, the theoretical understanding of LoRA has remained underexplored. In this paper, we present a theoretical analysis of LoRA by examining its connection to the Mixture of Experts models. Under this framework, we show that a simple technique, reparameterizing LoRA matrices, can notably accelerate the low-rank matrix estimation process. In particular, we prove that reparameterization can reduce the data needed to achieve a desired estimation error from an exponential to a polynomial scale. Motivated by this insight, we propose **Rep**arameterized **Lo**w-**R**ank **A**daptation (RepLoRA), incorporating a lightweight MLP to reparameterize the LoRA matrices. Extensive experiments across multiple domains demonstrate that RepLoRA consistently outperforms vanilla LoRA. With limited data, RepLoRA surpasses LoRA by a substantial margin of up to **40.0%** and achieves LoRA's performance using only **30.0%** of the training data, highlighting the theoretical and empirical robustness of our PEFT method.

General Machine Learning · Online Learning, Active Learning and Bandits

Yuxiao Wen

In combinatorial semi-bandits, a learner repeatedly selects from a combinatorial decision set of arms, receives the realized sum of rewards, and observes the rewards of the individual selected arms as feedback. In this paper, we extend this framework to include \emph{graph feedback}, where the learner observes the rewards of all neighboring arms of the selected arms in a feedback graph $G$. We establish that the optimal regret over a time horizon $T$ scales as $\widetilde{\Theta}(S\sqrt{T}+\sqrt{\alpha ST})$, where $S$ is the size of the combinatorial decisions and $\alpha$ is the independence number of $G$. This result interpolates between the known regrets $\widetilde\Theta(S\sqrt{T})$ under full information (i.e., $G$ is complete) and $\widetilde\Theta(\sqrt{KST})$ under the semi-bandit feedback (i.e., $G$ has only self-loops), where $K$ is the total number of arms. A key technical ingredient is to realize a convexified action using a random decision vector with negative correlations. We also show that online stochastic mirror descent (OSMD) that only realizes convexified actions in expectation is suboptimal.

General Machine Learning · Scalable Algorithms

Jie Gao, Rajesh Jayaram, Benedikt Kolbe, Shay Sapir, Chris Schwiegelshohn, Sandeep Silwal, Erik Waingarten

Randomized dimensionality reduction is a widely-used algorithmic technique for speeding up large-scale Euclidean optimization problems. In this paper, we study dimension reduction for a variety of maximization problems, including max-matching, max-spanning tree, as well as various measures for dataset diversity. For these problems, we show that the effect of dimension reduction is intimately tied to the *doubling dimension* $\lambda_X$ of the underlying dataset $X$---a quantity measuring intrinsic dimensionality of point sets. Specifically, the dimension required is $O(\lambda_X)$, which we also show is necessary for some of these problems. This is in contrast to classical dimension reduction results, whose dependence grow with the dataset size $|X|$. We also provide empirical results validating the quality of solutions found in the projected space, as well as speedups due to dimensionality reduction.

Social Aspects · Privacy

Anders Aamand, Justin Chen, Mina Dalirrooyfard, Slobodan Mitrovic, Yuriy Nevmyvaka, Sandeep Silwal, Yinzhan Xu

We study differentially private algorithms for graph cut sparsification, a fundamental problem in algorithms, privacy, and machine learning. While significant progress has been made, the best-known private and efficient cut sparsifiers on $n$-node graphs approximate each cut within $\widetilde{O}(n^{1.5})$ additive error and $1+\gamma$ multiplicative error for any $\gamma > 0$ [Gupta, Roth, Ullman TCC'12]. In contrast, \emph{inefficient} algorithms, i.e., those requiring exponential time, can achieve an $\widetilde{O}(n)$ additive error and $1+\gamma$ multiplicative error [Eliáš, Kapralov, Kulkarni, Lee SODA'20]. In this work, we break the $n^{1.5}$ additive error barrier for private and efficient cut sparsification. We present an $(\varepsilon,\delta)$-DP polynomial time algorithm that, given a non-negative weighted graph, outputs a private synthetic graph approximating all cuts with multiplicative error $1+\gamma$ and additive error $n^{1.25 + o(1)}$ (ignoring dependencies on $\varepsilon, \delta, \gamma$). At the heart of our approach lies a private algorithm for expander decomposition, a popular and powerful technique in (non-private) graph algorithms.

Theory

Anders Aamand, Justin Chen, Siddharth Gollapudi, Sandeep Silwal, Hao WU

We design improved approximation algorithms for NP-hard graph problems by incorporating predictions (e.g., learned from past data). Our prediction model builds upon and extends the $\varepsilon$-prediction framework by Cohen-Addad, d'Orsi, Gupta, Lee, and Panigrahi (NeurIPS 2024). We consider an edge-based version of this model, where each edge provides two bits of information, corresponding to predictions about whether each of its endpoints belong to an optimal solution. Even with weak predictions where each bit is only $\varepsilon$-correlated with the true solution, this information allows us to break approximation barriers in the standard setting. We develop algorithms with improved approximation ratios for MaxCut, Vertex Cover, Set Cover, and Maximum Independent Set problems (among others). Across these problems, our algorithms share a unifying theme, where we separately satisfy constraints related to high degree vertices (using predictions) and low-degree vertices (without using predictions) and carefully combine the answers.

Social Aspects · Robustness

Weijie Tu, Weijian Deng, Dylan Campbell, Yu Yao, Jiyang Zheng, Tom Gedeon, Tongliang Liu

Can the relative performance of a pre-trained large multimodal model (LMM) be predicted without access to labels? As LMMs proliferate, it becomes increasingly important to develop efficient ways to choose between them when faced with new data or tasks. The usual approach does the equivalent of giving the models an exam and marking them. We opt to avoid marking and the associated labor of determining the ground-truth answers. Instead, we explore other signals elicited and ascertain how well the models know their own limits, evaluating the effectiveness of these signals at unsupervised model ranking. We evaluate 47 state-of-the-art LMMs (e.g., LLaVA) across 9 visual question answering benchmarks, analyzing how well uncertainty-based metrics can predict relative model performance. Our findings show that uncertainty scores derived from softmax distributions provide a robust and consistent basis for ranking models across various tasks. This facilitates the ranking of LMMs on unlabeled data, providing a practical approach for selecting models for diverse target domains without requiring manual annotation.

Social Aspects · Security

Xiaoyan Feng, He Zhang, Yanjun Zhang, Leo Yu Zhang, Shirui Pan

Recent advances in Large Language Models (LLMs) have raised urgent concerns about LLM-generated text authenticity, prompting regulatory demands for reliable identification mechanisms. Although watermarking offers a promising solution, existing approaches struggle to simultaneously achieve three critical requirements: text quality preservation, model-agnostic detection, and message embedding capacity, which are crucial for practical implementation.To achieve these goals, the key challenge lies in balancing the trade-off between text quality preservation and message embedding capacity.To address this challenge, we propose BiMark, a novel watermarking framework that achieves these requirements through three key innovations:(1) a bit-flip unbiased reweighting mechanism enabling model-agnostic detection, (2) a multilayer architecture enhancing detectability without compromising generation quality, and (3) an information encoding approach supporting multi-bit watermarking. Through theoretical analysis and extensive experiments, we validate that, compared to state-of-the-art multi-bit watermarking methods, BiMark achieves up to 30\% higher extraction rates for short texts while maintaining text quality indicated by lower perplexity, and performs comparably to non-watermarked text on downstream tasks such as summarization and translation.

Reinforcement Learning · Deep RL

Haotian Fu, Yixiang Sun, Michael L. Littman, George Konidaris

We propose DRAGO, a novel approach for continual model-based reinforcement learning aimed at improving the incremental development of world models across a sequence of tasks that differ in their reward functions but not the state space or dynamics. DRAGO comprises two key components: *Synthetic Experience Rehearsal*, which leverages generative models to create synthetic experiences from past tasks, allowing the agent to reinforce previously learned dynamics without storing data, and *Regaining Memories Through Exploration*, which introduces an intrinsic reward mechanism to guide the agent toward revisiting relevant states from prior tasks. Together, these components enable the agent to maintain a comprehensive and continually developing world model, facilitating more effective learning and adaptation across diverse environments. Empirical evaluations demonstrate that DRAGO is able to preserve knowledge across tasks, achieving superior performance in various continual learning scenarios.

Reinforcement Learning · Deep RL

Minh-Tung Luu, Younghwan Lee, Donghoon Lee, Sunho Kim, MinJun Kim, Chang Yoo

Designing effective reward functions remains a fundamental challenge in reinforcement learning (RL), as it often requires extensive human effort and domain expertise. While RL from human feedback has been successful in aligning agents with human intent, acquiring high-quality feedback is costly and labor-intensive, limiting its scalability. Recent advancements in foundation models present a promising alternative--leveraging AI-generated feedback to reduce reliance on human supervision in reward learning. Building on this paradigm, we introduce ERL-VLM, an enhanced rating-based RL method that effectively learns reward functions from AI feedback. Unlike prior methods that rely on pairwise comparisons, ERL-VLM queries large vision-language models (VLMs) for absolute ratings of individual trajectories, enabling more expressive feedback and improved sample efficiency. Additionally, we propose key enhancements to rating-based RL, addressing instability issues caused by data imbalance and noisy labels. Through extensive experiments across both low-level and high-level control tasks, we demonstrate that ERL-VLM significantly outperforms existing VLM-based reward generation methods. Our results demonstrate the potential of AI feedback for scaling RL with minimal human intervention, paving the way for more autonomous and efficient reward learning.

Theory · Online Learning and Bandits

Quan Nguyen, Nishant Mehta, Cristóbal Guzmán

The minimax sample complexity of group distributionally robust optimization (GDRO) has been determined up to a $\log(K)$ factor, where $K$ is the number of groups. In this work, we venture beyond the minimax perspective via a novel notion of sparsity that we call $(\lambda, \beta)$-sparsity. In short, this condition means that at any parameter $\theta$, there is a set of at most $\beta$ groups whose risks at $\theta$ are all at least $\lambda$ larger than the risks of the other groups. To find an $\epsilon$-optimal $\theta$, we show via a novel algorithm and analysis that the $\epsilon$-dependent term in the sample complexity can swap a linear dependence on $K$ for a linear dependence on the potentially much smaller $\beta$. This improvement leverages recent progress in sleeping bandits, showing a fundamental connection between the two-player zero-sum game optimization framework for GDRO and per-action regret bounds in sleeping bandits. We next show an adaptive algorithm which, up to logarithmic factors, obtains a sample complexity bound that adapts to the best $(\lambda, \beta)$-sparsity condition that holds. We also show how to obtain a dimension-free semi-adaptive sample complexity bound with a computationally efficient method.Finally, we demonstrate the practicality of the $(\lambda, \beta)$-sparsity condition and the improved sample efficiency of our algorithms on both synthetic and real-life datasets.

Applications · Everything Else

Aoran Wang, Xinnan Dai, Jun Pang

Existing methods for inferring latent relational structures struggle to integrate partial prior knowledge, such as known edges, node-degree constraints, and global sparsity, without destabilizing training or conflicting with probabilistic assumptions. We propose Soft-Gated Structural Inference (SGSI), a VAE framework that seamlessly incorporates domain constraints via (1) soft gating with learnable edge masks to preserve gradients, (2) cloning-clamping of deterministic edges to avoid distributional conflicts, and (3) adaptive regularization to balance data-driven learning with domain constraints. By excluding known edges from stochastic inference, SGSI reallocates capacity to uncertain interactions, optimizing the information bottleneck trade-off. Experiments on 16 datasets show SGSI improves edge recovery by up to $9$\% AUROC over baselines, scales to larger graphs ($94.2$\% AUROC), and maintains stable training. SGSI bridges domain expertise with data-driven learning, enabling interpretable and robust structural discovery in dynamical systems.

Deep Learning · Generative Models and Autoencoders

Ivan Skorokhodov, Sharath Girish, Benran Hu, Willi Menapace, Yanyu Li, Rameen Abdal, Sergey Tulyakov, Aliaksandr Siarohin

Latent diffusion models have emerged as the leading approach for generating high-quality images and videos, utilizing compressed latent representations to reduce the computational burden of the diffusion process. While recent advancements have primarily focused on scaling diffusion backbones and improving autoencoder reconstruction quality, the interaction between these components has received comparatively less attention. In this work, we perform a spectral analysis of modern autoencoders and identify inordinate high-frequency components in their latent spaces, which are especially pronounced in the autoencoders with a large bottleneck channel size. We hypothesize that this high-frequency component interferes with the coarse-to-fine nature of the diffusion synthesis process and hinders the generation quality. To mitigate the issue, we propose scale equivariance: a simple regularization strategy that aligns latent and RGB spaces across frequencies by enforcing scale equivariance in the decoder. It requires minimal code changes and only up to $20$K autoencoder fine-tuning steps, yet significantly improves generation quality, reducing FID by 19% for image generation on ImageNet-1K 256x256 and FVD by at least 44% for video generation on Kinetics-700 17x256x256. The source code is available at https://github.com/snap-research/diffusability.