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Optimization

Jiseok Chae, Chulhee Yun, Donghwan Kim

In minimax optimization, the extragradient (EG) method has been extensively studied because it outperforms the gradient descent-ascent method in convex-concave (C-C) problems. Yet, stochastic EG (SEG) has seen limited success in C-C problems, especially for unconstrained cases. Motivated by the recent progress of shuffling-based stochastic methods, we investigate the convergence of shuffling-based SEG in unconstrained finite-sum minimax problems, in search of convergent shuffling-based SEG. Our analysis reveals that both random reshuffling and the recently proposed flip-flop shuffling alone can suffer divergence in C-C problems. However, with an additional simple trick called anchoring, we develop the SEG with flip-flop anchoring (SEG-FFA) method which successfully converges in C-C problems. We also show upper and lower bounds in the strongly-convex-strongly-concave setting, demonstrating that SEG-FFA has a provably faster convergence rate compared to other shuffling-based methods.

Probabilistic Methods · Gaussian Processes

Yunyue Wei, Vincent Zhuang, Saraswati Soedarmadji, Yanan Sui

Bayesian optimization is an effective technique for black-box optimization, but its applicability is typically limited to low-dimensional and small-budget problems due to the cubic complexity of computing the Gaussian process (GP) surrogate. While various approximate GP models have been employed to scale Bayesian optimization to larger sample sizes, most suffer from overly-smooth estimation and focus primarily on problems that allow for large online samples. In this work, we argue that Bayesian optimization algorithms with sparse GPs can more efficiently allocate their representational power to relevant regions of the search space. To achieve this, we propose focalized GP, which leverages a novel variational loss function to achieve stronger local prediction, as well as FocalBO, which hierarchically optimizes the focalized GP acquisition function over progressively smaller search spaces. Experimental results demonstrate that FocalBO can efficiently leverage large amounts of offline and online data to achieve state-of-the-art performance on robot morphology design and to control a 585-dimensional musculoskeletal system.

Computer Vision

Mingshuang Luo, RuiBing Hou, Zhuo Li, Hong Chang, Zimo Liu, Yaowei Wang, Shiguang Shan

This paper presents M$^3$GPT, an advanced $\textbf{M}$ultimodal, $\textbf{M}$ultitask framework for $\textbf{M}$otion comprehension and generation. M$^3$GPT operates on three fundamental principles. The first focuses on creating a unified representation space for various motion-relevant modalities. We employ discrete vector quantization for multimodal conditional signals, such as text, music and motion/dance, enabling seamless integration into a large language model (LLM) with a single vocabulary.The second involves modeling motion generation directly in the raw motion space. This strategy circumvents the information loss associated with a discrete tokenizer, resulting in more detailed and comprehensive motion generation. Third, M$^3$GPT learns to model the connections and synergies among various motion-relevant tasks. Text, the most familiar and well-understood modality for LLMs, is utilized as a bridge to establish connections between different motion tasks, facilitating mutual reinforcement. To our knowledge, M$^3$GPT is the first model capable of comprehending and generating motions based on multiple signals.Extensive experiments highlight M$^3$GPT's superior performance across various motion-relevant tasks and its powerful zero-shot generalization capabilities for extremely challenging tasks. Project page: \url{https://github.com/luomingshuang/M3GPT}.

Theory · Game Theory

Ariel Procaccia, Ben Schiffer, Shirley Zhang

We consider the problem of online fair division of indivisible goods to players when there are a finite number of types of goods and player values are drawn from distributions with unknown means. Our goal is to maximize social welfare subject to allocating the goods fairly in expectation. When a player's value for an item is unknown at the time of allocation, we show that this problem reduces to a variant of (stochastic) multi-armed bandits, where there exists an arm for each player's value for each type of good. At each time step, we choose a distribution over arms which determines how the next item is allocated. We consider two sets of fairness constraints for this problem: envy-freeness in expectation and proportionality in expectation. Our main result is the design of an explore-then-commit algorithm that achieves $\tilde{O}(T^{2/3})$ regret while maintaining either fairness constraint. This result relies on unique properties fundamental to fair-division constraints that allow faster rates of learning, despite the restricted action space.

Interpretability

Pulkit Gopalani, Ekdeep S Lubana, Wei Hu

Recent analysis on the training dynamics of Transformers has unveiled an interesting characteristic: the training loss plateaus for a significant number of training steps, and then suddenly (and sharply) drops to near--optimal values. To understand this phenomenon in depth, we formulate the low-rank matrix completion problem as a masked language modeling (MLM) task, and show that it is possible to train a BERT model to solve this task to low error. Furthermore, the loss curve shows a plateau early in training followed by a sudden drop to near-optimal values, despite no changes in the training procedure or hyper-parameters. To gain interpretability insights into this sudden drop, we examine the model's predictions, attention heads, and hidden states before and after this transition. Concretely, we observe that (a) the model transitions from simply copying the masked input to accurately predicting the masked entries; (b) the attention heads transition to interpretable patterns relevant to the task; and (c) the embeddings and hidden states encode information relevant to the problem. We also analyze the training dynamics of individual model components to understand the sudden drop in loss.

Optimization · Large Scale, Parallel and Distributed

Yan Huang, Xiang Li, Yipeng Shen, Niao He, Jinming Xu

In this paper, we show that applying adaptive methods directly to distributed minimax problems can result in non-convergence due to inconsistency in locally computed adaptive stepsizes. To address this challenge, we propose D-AdaST, a Distributed Adaptive minimax method with Stepsize Tracking. The key strategy is to employ an adaptive stepsize tracking protocol involving the transmission of two extra (scalar) variables. This protocol ensures the consistency among stepsizes of nodes, eliminating the steady-state error due to the lack of coordination of stepsizes among nodes that commonly exists in vanilla distributed adaptive methods, and thus guarantees exact convergence. For nonconvex-strongly-concave distributed minimax problems, we characterize the specific transient times that ensure time-scale separation of stepsizes and quasi-independence of networks, leading to a near-optimal convergence rate of $\tilde{\mathcal{O}} \left( \epsilon ^{-\left( 4+\delta \right)} \right)$ for any small $\delta > 0$, matching that of the centralized counterpart. To our best knowledge, D-AdaST is the *first* distributed adaptive method achieving near-optimal convergence without knowing any problem-dependent parameters for nonconvex minimax problems. Extensive experiments are conducted to validate our theoretical results.

Computer Vision

Yuhui Quan, Tianxiang Zheng, Hui Ji

Real-world image denoising remains a challenge task. This paper studies self-supervised image denoising, requiring only noisy images captured in a single shot. We revamping the blind-spot technique by leveraging the transformer’s capability for long-range pixel interactions, which is crucial for effectively removing noise dependence in relating pixel–a requirement for achieving great performance for the blind-spot technique. The proposed method integrates these elements with two key innovations: a directional self-attention (DSA) module using a half-plane grid for self-attention, creating a sophisticated blind-spot structure, and a Siamese architecture with mutual learning to mitigate the performance impactsfrom the restricted attention grid in DSA. Experiments on benchmark datasets demonstrate that our method outperforms existing self-supervised and clean-image-free methods. This combination of blind-spot and transformer techniques provides a natural synergy for tackling real-world image denoising challenges.

Learning Theory

Wei Huang, Andi Han, Yongqiang Chen, Yuan Cao, Zhiqiang Xu, Taiji Suzuki

Multi-modal contrastive learning with language supervision has presented a paradigm shift in modern machine learning. By pre-training on a web-scale dataset, multi-modal contrastive learning can learn high-quality representations that exhibit impressive robustness and transferability. Despite its empirical success, the theoretical understanding is still in its infancy, especially regarding its comparison with single-modal contrastive learning. In this work, we introduce a feature learning theory framework that provides a theoretical foundation for understanding the differences between multi-modal and single-modal contrastive learning. Based on a data generation model consisting of signal and noise, our analysis is performed on a ReLU network trained with the InfoMax objective function. Through a trajectory-based optimization analysis and generalization characterization on downstream tasks, we identify the critical factor, which is the signal-to-noise ratio (SNR), that impacts the generalizability in downstream tasks of both multi-modal and single-modal contrastive learning. Through the cooperation between the two modalities, multi-modal learning can achieve better feature learning, leading to improvements in performance in downstream tasks compared to single-modal learning. Our analysis provides a unified framework that can characterize the optimization and generalization of both single-modal and multi-modal contrastive learning. Empirical experiments on both synthetic and real-world datasets further consolidate our theoretical findings.

Trustworthy Machine Learning

Zachary Kenton, Noah Siegel, Janos Kramar, Jonah Brown-Cohen, Samuel Albanie, Jannis Bulian, Rishabh Agarwal, David Lindner, Yunhao Tang, Noah Goodman 等

Scalable oversight protocols aim to enable humans to accurately supervise superhuman AI. In this paper we study debate, where two AI's compete to convince a judge; consultancy, where a single AI tries to convince a judge that asks questions;and compare to a baseline of direct question-answering, where the judge just answers outright without the AI.We use large language models (LLMs) as both AI agents and as stand-ins for human judges, taking the judge models to be weaker than agent models. We benchmark on a diverse range of asymmetries between judges and agents, extending previous work on a single extractive QA task with information asymmetry, to also include mathematics, coding, logic and multimodal reasoning asymmetries. We find that debate outperforms consultancy across all tasks when the consultant is randomly assigned to argue for the correct/incorrect answer. Comparing debate to direct question answering, the results depend on the type of task: in extractive QA tasks with information asymmetry debate outperforms direct question answering, but in other tasks without information asymmetry the results are mixed.Previous work assigned debaters/consultants an answer to argue for. When we allow them to instead choose which answer to argue for, we find judges are less frequently convinced by the wrong answer in debate than in consultancy.Further, we find that stronger debater models increase judge accuracy, though more modestly than in previous studies.

Computer Vision · Image Generation

Qiyao Liang, Ziming Liu, Mitchell Ostrow, Ila Fiete

Diffusion models are capable of generating photo-realistic images that combine elements which do not appear together in natural images, demonstrating their ability to compositionally generalize. Nonetheless, the precise mechanism of compositionality and how it is acquired through training remains elusive. Here, we consider a highly reduced setting to examine whether diffusion models learn semantically meaningful and fully factorized representations of composable features. We performed extensive controlled experiments on conditional DDPMs trained to generate various forms of 2D Gaussian data. We demonstrate that the models learn factorized, semi-continuous manifold representations that are orthogonal in underlying continuous latent features of independent variations but are not aligned for different values of the same feature. With such representations, models demonstrate superior compositionality but have limited ability to interpolate over unseen values of a given feature. Our experimental results further demonstrate that diffusion models can attain compositionality with a small amount of compositional examples, suggesting a novel way to train DDPMs. Finally, we connect manifold formation in diffusion models to percolation theory in physics, thereby offering insights into the sudden onset of factorized representation learning. Our thorough toy experiments thus contribute a deeper understanding of how diffusion models capture compositional structure in data, paving the way for future research aimed at enhancing factorization and compositional generalization in generative models for real-world applications.

Language · Knowledge

Yansong Ning, Hao Liu

Urban knowledge graph has recently worked as an emerging building block to distill critical knowledge from multi-sourced urban data for diverse urban application scenarios. Despite its promising benefits, urban knowledge graph construction (UrbanKGC) still heavily relies on manual effort, hindering its potential advancement. This paper presents UrbanKGent, a unified large language model agent framework, for urban knowledge graph construction. Specifically, we first construct the knowledgeable instruction set for UrbanKGC tasks (such as relational triplet extraction and knowledge graph completion) via heterogeneity-aware and geospatial-infused instruction generation. Moreover, we propose a tool-augmented iterative trajectory refinement module to enhance and refine the trajectories distilled from GPT-4. Through hybrid instruction fine-tuning with augmented trajectories on Llama 2 and Llama 3 family, we obtain UrbanKGC agent family, consisting of UrbanKGent-7/8/13B version. We perform a comprehensive evaluation on two real-world datasets using both human and GPT-4 self-evaluation. The experimental results demonstrate that UrbanKGent family can not only significantly outperform 31 baselines in UrbanKGC tasks, but also surpass the state-of-the-art LLM, GPT-4, by more than 10% with approximately 20 times lower cost. Compared with the existing benchmark, the UrbanKGent family could help construct an UrbanKG with hundreds of times richer relationships using only one-fifth of the data. Our data and code are available at https://github.com/usail-hkust/UrbanKGent.

Jinzhu Luo, Dingyang Chen, Qi Zhang

Data augmentation creates new data points by transforming the original ones for an reinforcement learning (RL) agent to learn from, which has been shown to be effective for the objective of improving data efficiency of RL for continuous control. Prior work towards this objective has been largely restricted to perturbation-based data augmentation where new data points are created by perturbing the original ones,which has been impressively effective for tasks where the RL agent observe control states as images with perturbations including random cropping, shifting, etc. This work focuses on state-based control, where the RL agent can directly observe raw kinematic and task features, and considers an alternative data augmentation applied to these features based on Euclidean symmetries under transformations like rotations. We show that the default state features used in exiting benchmark tasks that are based on joint configurations are not amenable to Euclidean transformations. We therefore advocate using state features based on configurations of the limbs (i.e., rigid bodies connected by joints) that instead provides rich augmented data under Euclidean transformations. With minimal hyperparameter tuning, we show this new Euclidean data augmentation strategy significantly improve both data efficiency and asymptotic performance of RL on a wide range of continuous control tasks.

Multimodal Models

Xin Xiao, Bohong Wu, Jiacong Wang, Chunyuan Li, zhou Xun, Haoyuan Guo

Existing image-text modality alignment in Vision Language Models (VLMs) treats each text token equally in an autoregressive manner. Despite being simple and effective, this method results in sub-optimal cross-modal alignment by over-emphasizing the text tokens that are less correlated with or even contradictory with the input images. In this paper, we advocate for distinct contributions for each text token based on its visual correlation. Specifically, we present by contrasting image inputs, the difference in prediction logits on each text token provides strong guidance of visual correlation. We therefore introduce Contrastive Alignment (CAL), a simple yet effective re-weighting strategy that prioritizes training visually correlated tokens. Our experimental results demonstrate that CAL consistently improves different types of VLMs across different resolutions and model sizes on various benchmark datasets. Importantly, our method incurs minimal additional computational overhead, rendering it highly efficient compared to alternative data scaling strategies.

Theory · Everything Else

Yao Zhao, Kwang-Sung Jun, Tanner Fiez, Lalit Jain

This paper introduces the confounded pure exploration transductive linear bandit (CPET-LB) problem. As a motivating example, often online services cannot directly assign users to specific control or treatment experiences either for business or practical reasons. In these settings, naively comparing treatment and control groups that may result from self-selection can lead to biased estimates of underlying treatment effects. Instead, online services can employ a properly randomized encouragement that incentivizes users toward a specific treatment. Our methodology provides online services with an adaptive experimental design approach for learning the best-performing treatment for such encouragement designs. We consider a more general underlying model captured by a linear structural equation and formulate pure exploration linear bandits in this setting. Though pure exploration has been extensively studied in standard adaptive experimental design settings, we believe this is the first work considering a setting where noise is confounded. Elimination-style algorithms using experimental design methods in combination with a novel finite-time confidence interval on an instrumental variable style estimator are presented with sample complexity upper bounds nearly matching a minimax lower bound. Finally, experiments are conducted that demonstrate the efficacy of our approach.

Optimization · Convex

Zihao Tang, Yixuan Qiu

Computational optimal transport (OT) has received massive interests in the machine learning community, and great advances have been gained in the direction of entropic-regularized OT. The Sinkhorn algorithm, as well as its many improved versions, has become the *de facto* solution to large-scale OT problems. However, most of the existing methods behave like first-order methods, which typically require a large number of iterations to converge. More recently, Newton-type methods using sparsified Hessian matrices have demonstrated promising results on OT computation, but there still remain a lot of unresolved open questions. In this article, we make major new progresses towards this direction: first, we propose a novel Hessian sparsification scheme that promises a strict control of the approximation error; second, based on this sparsification scheme, we develop a *safe* Newton-type method that is guaranteed to avoid singularity in computing the search directions; third, the developed algorithm has a clear implementation for practical use, avoiding most hyperparameter tuning; and remarkably, we provide rigorous global and local convergence analysis of the proposed algorithm, which is lacking in the prior literature. Various numerical experiments are conducted to demonstrate the effectiveness of the proposed algorithm in solving large-scale OT problems.

Computer Vision

Shobhita Sundaram, Stephanie Fu, Lukas Muttenthaler, Netanel Tamir, Lucy Chai, Simon Kornblith, Trevor Darrell, Phillip Isola

Humans judge perceptual similarity according to diverse visual attributes, including scene layout, subject location, and camera pose. Existing vision models understand a wide range of semantic abstractions but improperly weigh these attributes and thus make inferences misaligned with human perception. While vision representations have previously benefited from human preference alignment in contexts like image generation, the utility of perceptually aligned representations in more general-purpose settings remains unclear. Here, we investigate how aligning vision model representations to human perceptual judgments impacts their usability in standard computer vision tasks. We finetune state-of-the-art models on a dataset of human similarity judgments for synthetic image triplets and evaluate them across diverse computer vision tasks. We find that aligning models to perceptual judgments yields representations that improve upon the original backbones across many downstream tasks, including counting, semantic segmentation, depth estimation, instance retrieval, and retrieval-augmented generation. In addition, we find that performance is widely preserved on other tasks, including specialized out-of-distribution domains such as in medical imaging and 3D environment frames. Our results suggest that injecting an inductive bias about human perceptual knowledge into vision models can make them better representation learners.

Reinforcement Learning · Batch Offline

Haohong Lin, Wenhao Ding, Jian Chen, Laixi Shi, Jiacheng Zhu, Bo Li, DING ZHAO

Offline model-based reinforcement learning (MBRL) enhances data efficiency by utilizing pre-collected datasets to learn models and policies, especially in scenarios where exploration is costly or infeasible. Nevertheless, its performance often suffers from the objective mismatch between model and policy learning, resulting in inferior performance despite accurate model predictions. This paper first identifies the primary source of this mismatch comes from the underlying confounders present in offline data for MBRL. Subsequently, we introduce **B**ilin**E**ar **CAUS**al r**E**presentation (BECAUSE), an algorithm to capture causal representation for both states and actions to reduce the influence of the distribution shift, thus mitigating the objective mismatch problem. Comprehensive evaluations on 18 tasks that vary in data quality and environment context demonstrate the superior performance of BECAUSE over existing offline RL algorithms. We show the generalizability and robustness of BECAUSE under fewer samples or larger numbers of confounders. Additionally, we offer theoretical analysis of BECAUSE to prove its error bound and sample efficiency when integrating causal representation into offline MBRL. See more details in our project page: [https://sites.google.com/view/be-cause](https://sites.google.com/view/be-cause).

Language · Speech

Heeseung Kim, Soonshin Seo, Kyeongseok Jeong, Ohsung Kwon, Soyoon Kim, Jungwhan Kim, Jaehong Lee, Eunwoo Song, Myungwoo Oh, Jung-Woo Ha 等

Recent work shows promising results in expanding the capabilities of large language models (LLM) to directly understand and synthesize speech. However, an LLM-based strategy for modeling spoken dialogs remains elusive, calling for further investigation. This paper introduces an extensive speech-text LLM framework, the Unified Spoken Dialog Model (USDM), designed to generate coherent spoken responses with naturally occurring prosodic features relevant to the given input speech without relying on explicit automatic speech recognition (ASR) or text-to-speech (TTS) systems. We have verified the inclusion of prosody in speech tokens that predominantly contain semantic information and have used this foundation to construct a prosody-infused speech-text model. Additionally, we propose a generalized speech-text pretraining scheme that enhances the capture of cross-modal semantics. To construct USDM, we fine-tune our speech-text model on spoken dialog data using a multi-step spoken dialog template that stimulates the chain-of-reasoning capabilities exhibited by the underlying LLM. Automatic and human evaluations on the DailyTalk dataset demonstrate that our approach effectively generates natural-sounding spoken responses, surpassing previous and cascaded baselines. Our code and checkpoints are available at https://github.com/naver-ai/usdm.

Deep Learning · Theory

Alan Jeffares, Alicia Curth, Mihaela van der Schaar

Deep learning sometimes appears to work in unexpected ways. In pursuit of a deeper understanding of its surprising behaviors, we investigate the utility of a simple yet accurate model of a trained neural network consisting of a sequence of first-order approximations telescoping out into a single empirically operational tool for practical analysis. Across three case studies, we illustrate how it can be applied to derive new empirical insights on a diverse range of prominent phenomena in the literature -- including double descent, grokking, linear mode connectivity, and the challenges of applying deep learning on tabular data -- highlighting that this model allows us to construct and extract metrics that help predict and understand the a priori unexpected performance of neural networks. We also demonstrate that this model presents a pedagogical formalism allowing us to isolate components of the training process even in complex contemporary settings, providing a lens to reason about the effects of design choices such as architecture & optimization strategy, and reveals surprising parallels between neural network learning and gradient boosting.

Optimization · Non-Convex

Quanqi Hu, Qi Qi, Zhaosong Lu, Tianbao Yang

In this paper, we study a class of non-smooth non-convex problems in the form of $\min_{x}[\max_{y\in\mathcal Y}\phi(x, y) - \max_{z\in\mathcal Z}\psi(x, z)]$, where both $\Phi(x) = \max_{y\in\mathcal Y}\phi(x, y)$ and $\Psi(x)=\max_{z\in\mathcal Z}\psi(x, z)$ are weakly convex functions, and $\phi(x, y), \psi(x, z)$ are strongly concave functions in terms of $y$ and $z$, respectively. It covers two families of problems that have been studied but are missing single-loop stochastic algorithms, i.e., difference of weakly convex functions and weakly convex strongly-concave min-max problems. We propose a stochastic Moreau envelope approximate gradient method dubbed SMAG, the first single-loop algorithm for solving these problems, and provide a state-of-the-art non-asymptotic convergence rate. The key idea of the design is to compute an approximate gradient of the Moreau envelopes of $\Phi, \Psi$ using only one step of stochastic gradient update of the primal and dual variables. Empirically, we conduct experiments on positive-unlabeled (PU) learning and partial area under ROC curve (pAUC) optimization with an adversarial fairness regularizer to validate the effectiveness of our proposed algorithms.