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The denoising diffusion probabilistic model (DDPM) has emerged as a mainstream generative model in generative AI. While sharp convergence guarantees have been established for the DDPM, the iteration complexity is, in general, proportional to the ambient data dimension, resulting in overly conservative theory that fails to explain its practical efficiency. This has motivated the recent work Li and Yan (2024a) to investigate how the DDPM can achieve sampling speed-ups through automatic exploitation of intrinsic low dimensionality of data. We strengthen this prior work by demonstrating, in some sense, optimal adaptivity to unknown low dimensionality. For a broad class of data distributions with intrinsic dimension $k$, we prove that the iteration complexity of the DDPM scales nearly linearly with $k$, which is optimal when using KL divergence to measure distributional discrepancy. Our theory is established based on a key observation: the DDPM update rule is equivalent to running a suitably parameterized SDE upon discretization, where the nonlinear component of the drift term is intrinsically low-dimensional.

Recent advancements in generative models, particularly large language models (LLMs) and diffusion models, have been driven by extensive pretraining on large datasets followed by post-training. However, current post-training methods such as reinforcement learning from human feedback (RLHF) and direct alignment from preference methods (DAP) primarily utilize single-sample comparisons. These approaches often fail to capture critical characteristics such as generative diversity and bias, which are more accurately assessed through multiple samples. To address these limitations, we introduce a novel approach that extends post-training to include multi-sample comparisons. To achieve this, we propose Multi-sample Direct Preference Optimization (mDPO) and Multi-sample Identity Preference Optimization (mIPO). These methods improve traditional DAP methods by focusing on group-wise characteristics. Empirically, we demonstrate that multi-sample comparison is more effective in optimizing collective characteristics~(e.g., diversity and bias) for generative models than single-sample comparison. Additionally, our findings suggest that multi-sample comparisons provide a more robust optimization framework, particularly for dataset with label noise., Comment: preprint

Diffusion models play a pivotal role in contemporary generative modeling, claiming state-of-the-art performance across various domains. Despite their superior sample quality, mainstream diffusion-based stochastic samplers like DDPM often require a large number of score function evaluations, incurring considerably higher computational cost compared to single-step generators like generative adversarial networks. While several acceleration methods have been proposed in practice, the theoretical foundations for accelerating diffusion models remain underexplored. In this paper, we propose and analyze a training-free acceleration algorithm for SDE-style diffusion samplers, based on the stochastic Runge-Kutta method. The proposed sampler provably attains $\varepsilon^2$ error -- measured in KL divergence -- using $\widetilde O(d^{3/2} / \varepsilon)$ score function evaluations (for sufficiently small $\varepsilon$), strengthening the state-of-the-art guarantees $\widetilde O(d^{3} / \varepsilon)$ in terms of dimensional dependency. Numerical experiments validate the efficiency of the proposed method., Comment: 45 pages, 3 figures

Machine learning based classifiers that take a privacy policy as the input and predict relevant concepts are useful in different applications such as (semi-)automated compliance analysis against requirements of the EU GDPR. In all past studies, such classifiers produce a concept label per segment (e.g., sentence or paragraph) and their performances were evaluated by using a dataset of labeled segments without considering the privacy policy they belong to. However, such an approach could overestimate the performance in real-world settings, where all segments in a new privacy policy are supposed to be unseen. Additionally, we also observed other research gaps, including the lack of a more complete GDPR taxonomy and the less consideration of hierarchical information in privacy policies. To fill such research gaps, we developed a more complete GDPR taxonomy, created the first corpus of labeled privacy policies with hierarchical information, and conducted the most comprehensive performance evaluation of GDPR concept classifiers for privacy policies. Our work leads to multiple novel findings, including the confirmed inappropriateness of splitting training and test sets at the segment level, the benefits of considering hierarchical information, and the limitations of the "one size fits all" approach, and the significance of testing cross-corpus generalizability.

The scarcity of high-quality and multi-task singing datasets significantly hinders the development of diverse controllable and personalized singing tasks, as existing singing datasets suffer from low quality, limited diversity of languages and singers, absence of multi-technique information and realistic music scores, and poor task suitability. To tackle these problems, we present GTSinger, a large global, multi-technique, free-to-use, high-quality singing corpus with realistic music scores, designed for all singing tasks, along with its benchmarks. Particularly, (1) we collect 80.59 hours of high-quality singing voices, forming the largest recorded singing dataset; (2) 20 professional singers across nine widely spoken languages offer diverse timbres and styles; (3) we provide controlled comparison and phoneme-level annotations of six commonly used singing techniques, helping technique modeling and control; (4) GTSinger offers realistic music scores, assisting real-world musical composition; (5) singing voices are accompanied by manual phoneme-to-audio alignments, global style labels, and 16.16 hours of paired speech for various singing tasks. Moreover, to facilitate the use of GTSinger, we conduct four benchmark experiments: technique-controllable singing voice synthesis, technique recognition, style transfer, and speech-to-singing conversion. The corpus and demos can be found at http://gtsinger.github.io. We provide the dataset and the code for processing data and conducting benchmarks at https://huggingface.co/datasets/GTSinger/GTSinger and https://github.com/GTSinger/GTSinger., Comment: Accepted by NeurIPS 2024 (Spotlight)

To unbiasedly evaluate multiple target policies, the dominant approach among RL practitioners is to run and evaluate each target policy separately. However, this evaluation method is far from efficient because samples are not shared across policies, and running target policies to evaluate themselves is actually not optimal. In this paper, we address these two weaknesses by designing a tailored behavior policy to reduce the variance of estimators across all target policies. Theoretically, we prove that executing this behavior policy with manyfold fewer samples outperforms on-policy evaluation on every target policy under characterized conditions. Empirically, we show our estimator has a substantially lower variance compared with previous best methods and achieves state-of-the-art performance in a broad range of environments., Comment: arXiv admin note: text overlap with arXiv:2301.13734

Diffusion models, which convert noise into new data instances by learning to reverse a diffusion process, have become a cornerstone in contemporary generative modeling. In this work, we develop non-asymptotic convergence theory for a popular diffusion-based sampler (i.e., the probability flow ODE sampler) in discrete time, assuming access to $\ell_2$-accurate estimates of the (Stein) score functions. For distributions in $\mathbb{R}^d$, we prove that $d/\varepsilon$ iterations -- modulo some logarithmic and lower-order terms -- are sufficient to approximate the target distribution to within $\varepsilon$ total-variation distance. This is the first result establishing nearly linear dimension-dependency (in $d$) for the probability flow ODE sampler. Imposing only minimal assumptions on the target data distribution (e.g., no smoothness assumption is imposed), our results also characterize how $\ell_2$ score estimation errors affect the quality of the data generation processes. In contrast to prior works, our theory is developed based on an elementary yet versatile non-asymptotic approach without the need of resorting to SDE and ODE toolboxes., Comment: This manuscript presents improved theory for probability flow ODEs compared to its earlier version arXiv:2306.09251

Dominant dual-encoder models enable efficient image-text retrieval but suffer from limited accuracy while the cross-encoder models offer higher accuracy at the expense of efficiency. Distilling cross-modality matching knowledge from cross-encoder to dual-encoder provides a natural approach to harness their strengths. Thus we investigate the following valuable question: how to make cross-encoder a good teacher for dual-encoder? Our findings are threefold:(1) Cross-modal similarity score distribution of cross-encoder is more concentrated while the result of dual-encoder is nearly normal making vanilla logit distillation less effective. However ranking distillation remains practical as it is not affected by the score distribution.(2) Only the relative order between hard negatives conveys valid knowledge while the order information between easy negatives has little significance.(3) Maintaining the coordination between distillation loss and dual-encoder training loss is beneficial for knowledge transfer. Based on these findings we propose a novel Contrastive Partial Ranking Distillation (CPRD) method which implements the objective of mimicking relative order between hard negative samples with contrastive learning. This approach coordinates with the training of the dual-encoder effectively transferring valid knowledge from the cross-encoder to the dual-encoder. Extensive experiments on image-text retrieval and ranking tasks show that our method surpasses other distillation methods and significantly improves the accuracy of dual-encoder., Comment: Accepted by CVPR 2024

Understanding the content of events occurring in the video and their inherent temporal logic is crucial for video-text retrieval. However, web-crawled pre-training datasets often lack sufficient event information, and the widely adopted video-level cross-modal contrastive learning also struggles to capture detailed and complex video-text event alignment. To address these challenges, we make improvements from both data and model perspectives. In terms of pre-training data, we focus on supplementing the missing specific event content and event temporal transitions with the proposed event augmentation strategies. Based on the event-augmented data, we construct a novel Event-Aware Video-Text Retrieval model, ie, EA-VTR, which achieves powerful video-text retrieval ability through superior video event awareness. EA-VTR can efficiently encode frame-level and video-level visual representations simultaneously, enabling detailed event content and complex event temporal cross-modal alignment, ultimately enhancing the comprehensive understanding of video events. Our method not only significantly outperforms existing approaches on multiple datasets for Text-to-Video Retrieval and Video Action Recognition tasks, but also demonstrates superior event content perceive ability on Multi-event Video-Text Retrieval and Video Moment Retrieval tasks, as well as outstanding event temporal logic understanding ability on Test of Time task., Comment: Accepted by ECCV 2024

Recent studies empirically indicate that language models (LMs) encode rich world knowledge beyond mere semantics, attracting significant attention across various fields. However, in the recommendation domain, it remains uncertain whether LMs implicitly encode user preference information. Contrary to prevailing understanding that LMs and traditional recommenders learn two distinct representation spaces due to the huge gap in language and behavior modeling objectives, this work re-examines such understanding and explores extracting a recommendation space directly from the language representation space. Surprisingly, our findings demonstrate that item representations, when linearly mapped from advanced LM representations, yield superior recommendation performance. This outcome suggests the possible homomorphism between the advanced language representation space and an effective item representation space for recommendation, implying that collaborative signals may be implicitly encoded within LMs. Motivated by these findings, we explore the possibility of designing advanced collaborative filtering (CF) models purely based on language representations without ID-based embeddings. To be specific, we incorporate several crucial components to build a simple yet effective model, with item titles as the input. Empirical results show that such a simple model can outperform leading ID-based CF models, which sheds light on using language representations for better recommendation. Moreover, we systematically analyze this simple model and find several key features for using advanced language representations: a good initialization for item representations, zero-shot recommendation abilities, and being aware of user intention. Our findings highlight the connection between language modeling and behavior modeling, which can inspire both natural language processing and recommender system communities., Comment: Codes are available at https://github.com/LehengTHU/AlphaRec

Developing advanced catalysts for acidic oxygen evolution reaction (OER) is crucial for sustainable hydrogen production. This study introduces a novel, multi-stage machine learning (ML) approach to streamline the discovery and optimization of complex multi-metallic catalysts. Our method integrates data mining, active learning, and domain adaptation throughout the materials discovery process. Unlike traditional trial-and-error methods, this approach systematically narrows the exploration space using domain knowledge with minimized reliance on subjective intuition. Then the active learning module efficiently refines element composition and synthesis conditions through iterative experimental feedback. The process culminated in the discovery of a promising Ru-Mn-Ca-Pr oxide catalyst. Our workflow also enhances theoretical simulations with domain adaptation strategy, providing deeper mechanistic insights aligned with experimental findings. By leveraging diverse data sources and multiple ML strategies, we establish an efficient pathway for electrocatalyst discovery and optimization. This comprehensive, data-driven approach represents a paradigm shift and potentially new benchmark in electrocatalysts research., Comment: 95 pages (main text 37 pages; supplementary materials 58 pages); 38 figures (main text 6 figures; supplementary materials 32 figures)

Continual learning (CL) with Vision-Language Models (VLMs) has overcome the constraints of traditional CL, which only focuses on previously encountered classes. During the CL of VLMs, we need not only to prevent the catastrophic forgetting on incrementally learned knowledge but also to preserve the zero-shot ability of VLMs. However, existing methods require additional reference datasets to maintain such zero-shot ability and rely on domain-identity hints to classify images across different domains. In this study, we propose Regression-based Analytic Incremental Learning (RAIL), which utilizes a recursive ridge regression-based adapter to learn from a sequence of domains in a non-forgetting manner and decouple the cross-domain correlations by projecting features to a higher-dimensional space. Cooperating with a training-free fusion module, RAIL absolutely preserves the VLM's zero-shot ability on unseen domains without any reference data. Additionally, we introduce Cross-domain Task-Agnostic Incremental Learning (X-TAIL) setting. In this setting, a CL learner is required to incrementally learn from multiple domains and classify test images from both seen and unseen domains without any domain-identity hint. We theoretically prove RAIL's absolute memorization on incrementally learned domains. Experiment results affirm RAIL's state-of-the-art performance in both X-TAIL and existing Multi-domain Task-Incremental Learning settings. The code will be released upon acceptance.

Aligning robot behavior with human preferences is crucial for deploying embodied AI agents in human-centered environments. A promising solution is interactive imitation learning from human intervention, where a human expert observes the policy's execution and provides interventions as feedback. However, existing methods often fail to utilize the prior policy efficiently to facilitate learning, thus hindering sample efficiency. In this work, we introduce MEReQ (Maximum-Entropy Residual-Q Inverse Reinforcement Learning), designed for sample-efficient alignment from human intervention. Instead of inferring the complete human behavior characteristics, MEReQ infers a residual reward function that captures the discrepancy between the human expert's and the prior policy's underlying reward functions. It then employs Residual Q-Learning (RQL) to align the policy with human preferences using this residual reward function. Extensive evaluations on simulated and real-world tasks demonstrate that MEReQ achieves sample-efficient policy alignment from human intervention.

Recommender systems aim to predict personalized rankings based on user preference data. With the rise of Language Models (LMs), LM-based recommenders have been widely explored due to their extensive world knowledge and powerful reasoning abilities. Most of the LM-based recommenders convert historical interactions into language prompts, pairing with a positive item as the target response and fine-tuning LM with a language modeling loss. However, the current objective fails to fully leverage preference data and is not optimized for personalized ranking tasks, which hinders the performance of LM-based recommenders. Inspired by the current advancement of Direct Preference Optimization (DPO) in human preference alignment and the success of softmax loss in recommendations, we propose Softmax-DPO (S-DPO) to instill ranking information into the LM to help LM-based recommenders distinguish preferred items from negatives, rather than solely focusing on positives. Specifically, we incorporate multiple negatives in user preference data and devise an alternative version of DPO loss tailored for LM-based recommenders, connected to softmax sampling strategies. Theoretically, we bridge S-DPO with the softmax loss over negative sampling and find that it has a side effect of mining hard negatives, which assures its exceptional capabilities in recommendation tasks. Empirically, extensive experiments conducted on three real-world datasets demonstrate the superiority of S-DPO to effectively model user preference and further boost recommendation performance while mitigating the data likelihood decline issue of DPO. Our codes are available at https://github.com/chenyuxin1999/S-DPO.

This paper investigates the challenge of learning in black-box games, where the underlying utility function is unknown to any of the agents. While there is an extensive body of literature on the theoretical analysis of algorithms for computing the Nash equilibrium with complete information about the game, studies on Nash equilibrium in black-box games are less common. In this paper, we focus on learning the Nash equilibrium when the only available information about an agent's payoff comes in the form of empirical queries. We provide a no-regret learning algorithm that utilizes Gaussian processes to identify the equilibrium in such games. Our approach not only ensures a theoretical convergence rate but also demonstrates effectiveness across a variety collection of games through experimental validation., Comment: 40th Conference on Uncertainty in Artificial Intelligence (UAI 2024)

A recent line of works showed regret bounds in reinforcement learning (RL) can be (nearly) independent of planning horizon, a.k.a.~the horizon-free bounds. However, these regret bounds only apply to settings where a polynomial dependency on the size of transition model is allowed, such as tabular Markov Decision Process (MDP) and linear mixture MDP. We give the first horizon-free bound for the popular linear MDP setting where the size of the transition model can be exponentially large or even uncountable. In contrast to prior works which explicitly estimate the transition model and compute the inhomogeneous value functions at different time steps, we directly estimate the value functions and confidence sets. We obtain the horizon-free bound by: (1) maintaining multiple weighted least square estimators for the value functions; and (2) a structural lemma which shows the maximal total variation of the inhomogeneous value functions is bounded by a polynomial factor of the feature dimension., Comment: Published as a conference paper in ICLR 2024

Score-based diffusion models, while achieving remarkable empirical performance, often suffer from low sampling speed, due to extensive function evaluations needed during the sampling phase. Despite a flurry of recent activities towards speeding up diffusion generative modeling in practice, theoretical underpinnings for acceleration techniques remain severely limited. In this paper, we design novel training-free algorithms to accelerate popular deterministic (i.e., DDIM) and stochastic (i.e., DDPM) samplers. Our accelerated deterministic sampler converges at a rate $O(1/{T}^2)$ with $T$ the number of steps, improving upon the $O(1/T)$ rate for the DDIM sampler; and our accelerated stochastic sampler converges at a rate $O(1/T)$, outperforming the rate $O(1/\sqrt{T})$ for the DDPM sampler. The design of our algorithms leverages insights from higher-order approximation, and shares similar intuitions as popular high-order ODE solvers like the DPM-Solver-2. Our theory accommodates $\ell_2$-accurate score estimates, and does not require log-concavity or smoothness on the target distribution., Comment: The first two authors contributed equally

Scaling laws play an instrumental role in the sustainable improvement in model quality. Unfortunately, recommendation models to date do not exhibit such laws similar to those observed in the domain of large language models, due to the inefficiencies of their upscaling mechanisms. This limitation poses significant challenges in adapting these models to increasingly more complex real-world datasets. In this paper, we propose an effective network architecture based purely on stacked factorization machines, and a synergistic upscaling strategy, collectively dubbed Wukong, to establish a scaling law in the domain of recommendation. Wukong's unique design makes it possible to capture diverse, any-order of interactions simply through taller and wider layers. We conducted extensive evaluations on six public datasets, and our results demonstrate that Wukong consistently outperforms state-of-the-art models quality-wise. Further, we assessed Wukong's scalability on an internal, large-scale dataset. The results show that Wukong retains its superiority in quality over state-of-the-art models, while holding the scaling law across two orders of magnitude in model complexity, extending beyond 100 GFLOP/example, where prior arts fall short., Comment: 12 pages

We study a mismatch between the deep learning recommendation models' flat architecture, common distributed training paradigm and hierarchical data center topology. To address the associated inefficiencies, we propose Disaggregated Multi-Tower (DMT), a modeling technique that consists of (1) Semantic-preserving Tower Transform (SPTT), a novel training paradigm that decomposes the monolithic global embedding lookup process into disjoint towers to exploit data center locality; (2) Tower Module (TM), a synergistic dense component attached to each tower to reduce model complexity and communication volume through hierarchical feature interaction; and (3) Tower Partitioner (TP), a feature partitioner to systematically create towers with meaningful feature interactions and load balanced assignments to preserve model quality and training throughput via learned embeddings. We show that DMT can achieve up to 1.9x speedup compared to the state-of-the-art baselines without losing accuracy across multiple generations of hardware at large data center scales.

Active Learning (AL) has gained prominence in integrating data-intensive machine learning (ML) models into domains with limited labeled data. However, its effectiveness diminishes significantly when the labeling budget is low. In this paper, we first empirically observe the performance degradation of existing AL algorithms in the low-budget settings, and then introduce Direct Acquisition Optimization (DAO), a novel AL algorithm that optimizes sample selections based on expected true loss reduction. Specifically, DAO utilizes influence functions to update model parameters and incorporates an additional acquisition strategy to mitigate bias in loss estimation. This approach facilitates a more accurate estimation of the overall error reduction, without extensive computations or reliance on labeled data. Experiments demonstrate DAO's effectiveness in low budget settings, outperforming state-of-the-arts approaches across seven benchmarks.

While charge carriers can typically be designated as either electron- or hole- type, depending on the sign of the Hall coefficient, some materials defy this straightforward classification. Here we find that LaRh$_6$Ge$_4$ goes beyond this dichotomy, where the Hall resistivity is electron-like for magnetic fields along the $c$-axis but hole-like in the basal plane. Together with first-principles calculations, we show that this direction-dependent switching of the carrier type arises within a single band, where the special geometry leads to charge carriers on the same Fermi surface orbiting as electrons along some directions, but holes along others. The relationship between the Fermi surface geometry and occurrence of a Hall sign reversal is further generalized by considering tight-binding model calculations, which show that this type of Fermi surface corresponds to a more robust means of realizing this phenomenon, suggesting an important route for tailoring direction dependent properties for advanced electronic device applications., Comment: 7 pages, 5 figures

Ultrasound (US) imaging is a vital adjunct to mammography in breast cancer screening and diagnosis, but its reliance on hand-held transducers often lacks repeatability and heavily depends on sonographers' skills. Integrating US systems from different vendors further complicates clinical standards and workflows. This research introduces a co-robotic US platform for repeatable, accurate, and vendor-independent breast US image acquisition. The platform can autonomously perform 3D volume scans or swiftly acquire real-time 2D images of suspicious lesions. Utilizing a Universal Robot UR5 with an RGB camera, a force sensor, and an L7-4 linear array transducer, the system achieves autonomous navigation, motion control, and image acquisition. The calibrations, including camera-mammogram, robot-camera, and robot-US, were rigorously conducted and validated. Governed by a PID force control, the robot-held transducer maintains a constant contact force with the compression plate during the scan for safety and patient comfort. The framework was validated on a lesion-mimicking phantom. Our results indicate that the developed co-robotic US platform promises to enhance the precision and repeatability of breast cancer screening and diagnosis. Additionally, the platform offers straightforward integration into most mammographic devices to ensure vendor-independence.

Many neural network architectures are known to be Turing Complete, and can thus, in principle implement arbitrary algorithms. However, Transformers are unique in that they can implement gradient-based learning algorithms under simple parameter configurations. This paper provides theoretical and empirical evidence that (non-linear) Transformers naturally learn to implement gradient descent in function space, which in turn enable them to learn non-linear functions in context. Our results apply to a broad class of combinations of non-linear architectures and non-linear in-context learning tasks. Additionally, we show that the optimal choice of non-linear activation depends in a natural way on the class of functions that need to be learned.

Multi-distribution learning (MDL), which seeks to learn a shared model that minimizes the worst-case risk across $k$ distinct data distributions, has emerged as a unified framework in response to the evolving demand for robustness, fairness, multi-group collaboration, etc. Achieving data-efficient MDL necessitates adaptive sampling, also called on-demand sampling, throughout the learning process. However, there exist substantial gaps between the state-of-the-art upper and lower bounds on the optimal sample complexity. Focusing on a hypothesis class of Vapnik-Chervonenkis (VC) dimension d, we propose a novel algorithm that yields an varepsilon-optimal randomized hypothesis with a sample complexity on the order of (d+k)/varepsilon^2 (modulo some logarithmic factor), matching the best-known lower bound. Our algorithmic ideas and theory are further extended to accommodate Rademacher classes. The proposed algorithms are oracle-efficient, which access the hypothesis class solely through an empirical risk minimization oracle. Additionally, we establish the necessity of randomization, revealing a large sample size barrier when only deterministic hypotheses are permitted. These findings resolve three open problems presented in COLT 2023 (i.e., citet[Problems 1, 3 and 4]{awasthi2023sample}).

Web-scale ranking systems at Meta serving billions of users is complex. Improving ranking models is essential but engineering heavy. Automated Machine Learning (AutoML) can release engineers from labor intensive work of tuning ranking models; however, it is unknown if AutoML is efficient enough to meet tight production timeline in real-world and, at the same time, bring additional improvements to the strong baselines. Moreover, to achieve higher ranking performance, there is an ever-increasing demand to scale up ranking models to even larger capacity, which imposes more challenges on the efficiency. The large scale of models and tight production schedule requires AutoML to outperform human baselines by only using a small number of model evaluation trials (around 100). We presents a sampling-based AutoML method, focusing on neural architecture search and hyperparameter optimization, addressing these challenges in Meta-scale production when building large capacity models. Our approach efficiently handles large-scale data demands. It leverages a lightweight predictor-based searcher and reinforcement learning to explore vast search spaces, significantly reducing the number of model evaluations. Through experiments in large capacity modeling for CTR and CVR applications, we show that our method achieves outstanding Return on Investment (ROI) versus human tuned baselines, with up to 0.09% Normalized Entropy (NE) loss reduction or $25\%$ Query per Second (QPS) increase by only sampling one hundred models on average from a curated search space. The proposed AutoML method has already made real-world impact where a discovered Instagram CTR model with up to -0.36% NE gain (over existing production baseline) was selected for large-scale online A/B test and show statistically significant gain. These production results proved AutoML efficacy and accelerated its adoption in ranking systems at Meta., Comment: Hang Yin and Kuang-Hung Liu contribute equally

Neural Architecture Search (NAS) has demonstrated its efficacy in computer vision and potential for ranking systems. However, prior work focused on academic problems, which are evaluated at small scale under well-controlled fixed baselines. In industry system, such as ranking system in Meta, it is unclear whether NAS algorithms from the literature can outperform production baselines because of: (1) scale - Meta ranking systems serve billions of users, (2) strong baselines - the baselines are production models optimized by hundreds to thousands of world-class engineers for years since the rise of deep learning, (3) dynamic baselines - engineers may have established new and stronger baselines during NAS search, and (4) efficiency - the search pipeline must yield results quickly in alignment with the productionization life cycle. In this paper, we present Rankitect, a NAS software framework for ranking systems at Meta. Rankitect seeks to build brand new architectures by composing low level building blocks from scratch. Rankitect implements and improves state-of-the-art (SOTA) NAS methods for comprehensive and fair comparison under the same search space, including sampling-based NAS, one-shot NAS, and Differentiable NAS (DNAS). We evaluate Rankitect by comparing to multiple production ranking models at Meta. We find that Rankitect can discover new models from scratch achieving competitive tradeoff between Normalized Entropy loss and FLOPs. When utilizing search space designed by engineers, Rankitect can generate better models than engineers, achieving positive offline evaluation and online A/B test at Meta scale., Comment: Wei Wen and Kuang-Hung Liu contribute equally

Instance-level image classification tasks have traditionally relied on single-instance labels to train models, e.g., few-shot learning and transfer learning. However, set-level coarse-grained labels that capture relationships among instances can provide richer information in real-world scenarios. In this paper, we present a novel approach to enhance instance-level image classification by leveraging set-level labels. We provide a theoretical analysis of the proposed method, including recognition conditions for fast excess risk rate, shedding light on the theoretical foundations of our approach. We conducted experiments on two distinct categories of datasets: natural image datasets and histopathology image datasets. Our experimental results demonstrate the effectiveness of our approach, showcasing improved classification performance compared to traditional single-instance label-based methods. Notably, our algorithm achieves 13% improvement in classification accuracy compared to the strongest baseline on the histopathology image classification benchmarks. Importantly, our experimental findings align with the theoretical analysis, reinforcing the robustness and reliability of our proposed method. This work bridges the gap between instance-level and set-level image classification, offering a promising avenue for advancing the capabilities of image classification models with set-level coarse-grained labels.

Tensor clustering, which seeks to extract underlying cluster structures from noisy tensor observations, has gained increasing attention. One extensively studied model for tensor clustering is the tensor block model, which postulates the existence of clustering structures along each mode and has found broad applications in areas like multi-tissue gene expression analysis and multilayer network analysis. However, currently available computationally feasible methods for tensor clustering either are limited to handling i.i.d. sub-Gaussian noise or suffer from suboptimal statistical performance, which restrains their utility in applications that have to deal with heteroskedastic data and/or low signal-to-noise-ratio (SNR). To overcome these challenges, we propose a two-stage method, named $\mathsf{High\text{-}order~HeteroClustering}$ ($\mathsf{HHC}$), which starts by performing tensor subspace estimation via a novel spectral algorithm called $\mathsf{Thresholded~Deflated\text{-}HeteroPCA}$, followed by approximate $k$-means to obtain cluster nodes. Encouragingly, our algorithm provably achieves exact clustering as long as the SNR exceeds the computational limit (ignoring logarithmic factors); here, the SNR refers to the ratio of the pairwise disparity between nodes to the noise level, and the computational limit indicates the lowest SNR that enables exact clustering with polynomial runtime. Comprehensive simulation and real-data experiments suggest that our algorithm outperforms existing algorithms across various settings, delivering more reliable clustering performance.

Federated reinforcement learning (RL) enables collaborative decision making of multiple distributed agents without sharing local data trajectories. In this work, we consider a multi-task setting, in which each agent has its own private reward function corresponding to different tasks, while sharing the same transition kernel of the environment. Focusing on infinite-horizon Markov decision processes, the goal is to learn a globally optimal policy that maximizes the sum of the discounted total rewards of all the agents in a decentralized manner, where each agent only communicates with its neighbors over some prescribed graph topology. We develop federated vanilla and entropy-regularized natural policy gradient (NPG) methods in the tabular setting under softmax parameterization, where gradient tracking is applied to estimate the global Q-function to mitigate the impact of imperfect information sharing. We establish non-asymptotic global convergence guarantees under exact policy evaluation, where the rates are nearly independent of the size of the state-action space and illuminate the impacts of network size and connectivity. To the best of our knowledge, this is the first time that near dimension-free global convergence is established for federated multi-task RL using policy optimization. We further go beyond the tabular setting by proposing a federated natural actor critic (NAC) method for multi-task RL with function approximation, and establish its finite-time sample complexity taking the errors of function approximation into account.

Active learning is a promising paradigm to reduce the labeling cost by strategically requesting labels to improve model performance. However, existing active learning methods often rely on expensive acquisition function to compute, extensive modeling retraining and multiple rounds of interaction with annotators. To address these limitations, we propose a novel approach for active learning, which aims to select batches of unlabeled instances through a learned surrogate model for data acquisition. A key challenge in this approach is developing an acquisition function that generalizes well, as the history of data, which forms part of the utility function's input, grows over time. Our novel algorithmic contribution is a bilevel multi-task bilevel optimization framework that predicts the relative utility -- measured by the validation accuracy -- of different training sets, and ensures the learned acquisition function generalizes effectively. For cases where validation accuracy is expensive to evaluate, we introduce efficient interpolation-based surrogate models to estimate the utility function, reducing the evaluation cost. We demonstrate the performance of our approach through extensive experiments on standard active classification benchmarks. By employing our learned utility function, we show significant improvements over traditional techniques, paving the way for more efficient and effective utility maximization in active learning applications.

Recommender systems are the cornerstone of today's information dissemination, yet a disconnect between offline metrics and online performance greatly hinders their development. Addressing this challenge, we envision a recommendation simulator, capitalizing on recent breakthroughs in human-level intelligence exhibited by Large Language Models (LLMs). We propose Agent4Rec, a user simulator in recommendation, leveraging LLM-empowered generative agents equipped with user profile, memory, and actions modules specifically tailored for the recommender system. In particular, these agents' profile modules are initialized using real-world datasets (e.g. MovieLens, Steam, Amazon-Book), capturing users' unique tastes and social traits; memory modules log both factual and emotional memories and are integrated with an emotion-driven reflection mechanism; action modules support a wide variety of behaviors, spanning both taste-driven and emotion-driven actions. Each agent interacts with personalized recommender models in a page-by-page manner, relying on a pre-implemented collaborative filtering-based recommendation algorithm. We delve into both the capabilities and limitations of Agent4Rec, aiming to explore an essential research question: ``To what extent can LLM-empowered generative agents faithfully simulate the behavior of real, autonomous humans in recommender systems?'' Extensive and multi-faceted evaluations of Agent4Rec highlight both the alignment and deviation between agents and user-personalized preferences. Beyond mere performance comparison, we explore insightful experiments, such as emulating the filter bubble effect and discovering the underlying causal relationships in recommendation tasks. Our codes are available at https://github.com/LehengTHU/Agent4Rec., Comment: SIGIR 2024 perspective paper

Optimizing objectives under constraints, where both the objectives and constraints are black box functions, is a common scenario in real-world applications such as scientific experimental design, design of medical therapies, and industrial process optimization. One popular approach to handling these complex scenarios is Bayesian Optimization (BO). In terms of theoretical behavior, BO is relatively well understood in the unconstrained setting, where its principles have been well explored and validated. However, when it comes to constrained Bayesian optimization (CBO), the existing framework often relies on heuristics or approximations without the same level of theoretical guarantees. In this paper, we delve into the theoretical and practical aspects of constrained Bayesian optimization, where the objective and constraints can be independently evaluated and are subject to noise. By recognizing that both the objective and constraints can help identify high-confidence regions of interest (ROI), we propose an efficient CBO framework that intersects the ROIs identified from each aspect to determine the general ROI. The ROI, coupled with a novel acquisition function that adaptively balances the optimization of the objective and the identification of feasible regions, enables us to derive rigorous theoretical justifications for its performance. We showcase the efficiency and robustness of our proposed CBO framework through empirical evidence and discuss the fundamental challenge of deriving practical regret bounds for CBO algorithms.

Generalization poses a significant challenge in Multi-agent Reinforcement Learning (MARL). The extent to which an agent is influenced by unseen co-players depends on the agent's policy and the specific scenario. A quantitative examination of this relationship sheds light on effectively training agents for diverse scenarios. In this study, we present the Level of Influence (LoI), a metric quantifying the interaction intensity among agents within a given scenario and environment. We observe that, generally, a more diverse set of co-play agents during training enhances the generalization performance of the ego agent; however, this improvement varies across distinct scenarios and environments. LoI proves effective in predicting these improvement disparities within specific scenarios. Furthermore, we introduce a LoI-guided resource allocation method tailored to train a set of policies for diverse scenarios under a constrained budget. Our results demonstrate that strategic resource allocation based on LoI can achieve higher performance than uniform allocation under the same computation budget., Comment: 12 pages, 6 figures

While reinforcement learning (RL) has shown promising performance, its sample complexity continues to be a substantial hurdle, restricting its broader application across a variety of domains. Imitation learning (IL) utilizes oracles to improve sample efficiency, yet it is often constrained by the quality of the oracles deployed. which actively interleaves between IL and RL based on an online estimate of their performance. RPI draws on the strengths of IL, using oracle queries to facilitate exploration, an aspect that is notably challenging in sparse-reward RL, particularly during the early stages of learning. As learning unfolds, RPI gradually transitions to RL, effectively treating the learned policy as an improved oracle. This algorithm is capable of learning from and improving upon a diverse set of black-box oracles. Integral to RPI are Robust Active Policy Selection (RAPS) and Robust Policy Gradient (RPG), both of which reason over whether to perform state-wise imitation from the oracles or learn from its own value function when the learner's performance surpasses that of the oracles in a specific state. Empirical evaluations and theoretical analysis validate that RPI excels in comparison to existing state-of-the-art methodologies, demonstrating superior performance across various benchmark domains.

The increasing capabilities of large language models (LLMs) raise opportunities for artificial general intelligence but concurrently amplify safety concerns, such as potential misuse of AI systems, necessitating effective AI alignment. Reinforcement Learning from Human Feedback (RLHF) has emerged as a promising pathway towards AI alignment but brings forth challenges due to its complexity and dependence on a separate reward model. Direct Preference Optimization (DPO) has been proposed as an alternative, and it remains equivalent to RLHF under the reverse KL regularization constraint. This paper presents $f$-DPO, a generalized approach to DPO by incorporating diverse divergence constraints. We show that under certain $f$-divergences, including Jensen-Shannon divergence, forward KL divergences and $\alpha$-divergences, the complex relationship between the reward and optimal policy can also be simplified by addressing the Karush-Kuhn-Tucker conditions. This eliminates the need for estimating the normalizing constant in the Bradley-Terry model and enables a tractable mapping between the reward function and the optimal policy. Our approach optimizes LLMs to align with human preferences in a more efficient and supervised manner under a broad set of divergence constraints. Empirically, adopting these divergences ensures a balance between alignment performance and generation diversity. Importantly, $f$-DPO outperforms PPO-based methods in divergence efficiency, and divergence constraints directly influence expected calibration error (ECE)., Comment: Preprint

Relation triple extraction (RTE) is an essential task in information extraction and knowledge graph construction. Despite recent advancements, existing methods still exhibit certain limitations. They just employ generalized pre-trained models and do not consider the specificity of RTE tasks. Moreover, existing tagging-based approaches typically decompose the RTE task into two subtasks, initially identifying subjects and subsequently identifying objects and relations. They solely focus on extracting relational triples from subject to object, neglecting that once the extraction of a subject fails, it fails in extracting all triples associated with that subject. To address these issues, we propose BitCoin, an innovative Bidirectional tagging and supervised Contrastive learning based joint relational triple extraction framework. Specifically, we design a supervised contrastive learning method that considers multiple positives per anchor rather than restricting it to just one positive. Furthermore, a penalty term is introduced to prevent excessive similarity between the subject and object. Our framework implements taggers in two directions, enabling triples extraction from subject to object and object to subject. Experimental results show that BitCoin achieves state-of-the-art results on the benchmark datasets and significantly improves the F1 score on Normal, SEO, EPO, and multiple relation extraction tasks., Comment: arXiv admin note: text overlap with arXiv:2112.04940 by other authors

A central issue lying at the heart of online reinforcement learning (RL) is data efficiency. While a number of recent works achieved asymptotically minimal regret in online RL, the optimality of these results is only guaranteed in a ``large-sample'' regime, imposing enormous burn-in cost in order for their algorithms to operate optimally. How to achieve minimax-optimal regret without incurring any burn-in cost has been an open problem in RL theory. We settle this problem for the context of finite-horizon inhomogeneous Markov decision processes. Specifically, we prove that a modified version of Monotonic Value Propagation (MVP), a model-based algorithm proposed by \cite{zhang2020reinforcement}, achieves a regret on the order of (modulo log factors) \begin{equation*} \min\big\{ \sqrt{SAH^3K}, \,HK \big\}, \end{equation*} where $S$ is the number of states, $A$ is the number of actions, $H$ is the planning horizon, and $K$ is the total number of episodes. This regret matches the minimax lower bound for the entire range of sample size $K\geq 1$, essentially eliminating any burn-in requirement. It also translates to a PAC sample complexity (i.e., the number of episodes needed to yield $\varepsilon$-accuracy) of $\frac{SAH^3}{\varepsilon^2}$ up to log factor, which is minimax-optimal for the full $\varepsilon$-range. Further, we extend our theory to unveil the influences of problem-dependent quantities like the optimal value/cost and certain variances. The key technical innovation lies in the development of a new regret decomposition strategy and a novel analysis paradigm to decouple complicated statistical dependency -- a long-standing challenge facing the analysis of online RL in the sample-hungry regime.

We study Bayesian optimization (BO) in high-dimensional and non-stationary scenarios. Existing algorithms for such scenarios typically require extensive hyperparameter tuning, which limits their practical effectiveness. We propose a framework, called BALLET, which adaptively filters for a high-confidence region of interest (ROI) as a superlevel-set of a nonparametric probabilistic model such as a Gaussian process (GP). Our approach is easy to tune, and is able to focus on local region of the optimization space that can be tackled by existing BO methods. The key idea is to use two probabilistic models: a coarse GP to identify the ROI, and a localized GP for optimization within the ROI. We show theoretically that BALLET can efficiently shrink the search space, and can exhibit a tighter regret bound than standard BO without ROI filtering. We demonstrate empirically the effectiveness of BALLET on both synthetic and real-world optimization tasks.

Reinforcement learning (RL) has made significant strides in various complex domains. However, identifying an effective policy via RL often necessitates extensive exploration. Imitation learning aims to mitigate this issue by using expert demonstrations to guide exploration. In real-world scenarios, one often has access to multiple suboptimal black-box experts, rather than a single optimal oracle. These experts do not universally outperform each other across all states, presenting a challenge in actively deciding which oracle to use and in which state. We introduce MAPS and MAPS-SE, a class of policy improvement algorithms that perform imitation learning from multiple suboptimal oracles. In particular, MAPS actively selects which of the oracles to imitate and improve their value function estimates, and MAPS-SE additionally leverages an active state exploration criterion to determine which states one should explore. We provide a comprehensive theoretical analysis and demonstrate that MAPS and MAPS-SE enjoy sample efficiency advantage over the state-of-the-art policy improvement algorithms. Empirical results show that MAPS-SE significantly accelerates policy optimization via state-wise imitation learning from multiple oracles across a broad spectrum of control tasks in the DeepMind Control Suite. Our code is publicly available at: https://github.com/ripl/maps.

Diffusion models, which convert noise into new data instances by learning to reverse a Markov diffusion process, have become a cornerstone in contemporary generative modeling. While their practical power has now been widely recognized, the theoretical underpinnings remain far from mature. In this work, we develop a suite of non-asymptotic theory towards understanding the data generation process of diffusion models in discrete time, assuming access to $\ell_2$-accurate estimates of the (Stein) score functions. For a popular deterministic sampler (based on the probability flow ODE), we establish a convergence rate proportional to $1/T$ (with $T$ the total number of steps), improving upon past results; for another mainstream stochastic sampler (i.e., a type of the denoising diffusion probabilistic model), we derive a convergence rate proportional to $1/\sqrt{T}$, matching the state-of-the-art theory. Imposing only minimal assumptions on the target data distribution (e.g., no smoothness assumption is imposed), our results characterize how $\ell_2$ score estimation errors affect the quality of the data generation processes. In contrast to prior works, our theory is developed based on an elementary yet versatile non-asymptotic approach without resorting to toolboxes for SDEs and ODEs. Further, we design two accelerated variants, improving the convergence to $1/T^2$ for the ODE-based sampler and $1/T$ for the DDPM-type sampler, which might be of independent theoretical and empirical interest., Comment: accepted in part to ICLR 2024