mtybilly/Instruct2DS huggingface dataset:
Reparameterization invariance in approximate Bayesian inference
Authors: Marco Miani, Carl Henrik Ek, Philipp Hennig, Marvin Pförtner, Lukas Tatzel, Søren Hauberg Hrittik Roy
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current approximate posteriors in Bayesian neural networks (BNNs) exhibit a crucial limitation: they fail to maintain invariance under reparameterization, i.e. BNNs assign different posterior densities to different parametrizations of identical functions. This creates a fundamental flaw in the application of Bayesian principles as it breaks the correspondence between uncertainty over the parameters with uncertainty over the parametrized function. In this paper, we investigate this issue in the context of the increasingly popular linearized Laplace approximation. Specifically, it has been observed that linearized predictives alleviate the common underfitting problems of the Laplace approximation. We develop a new geometric view of reparametrizations from which we explain the success of linearization. Moreover, we demonstrate that these reparameterization invariance properties can be extended to the original neural network predictive using a Riemannian diffusion process giving a straightforward algorithm for approximate posterior sampling, which empirically improves posterior fit.
Localized Adaptive Risk Control
Authors: Osvaldo Simeone Matteo Zecchin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Adaptive Risk Control (ARC) is an online calibration strategy based on set prediction that offers worst-case deterministic long-term risk control, as well as statistical marginal coverage guarantees. ARC adjusts the size of the prediction set by varying a single scalar threshold based on feedback from past decisions. In this work, we introduce Localized Adaptive Risk Control (L-ARC), an online calibration scheme that targets statistical localized risk guarantees ranging from conditional risk to marginal risk, while preserving the worst-case performance of ARC. L-ARC updates a threshold function within a reproducing kernel Hilbert space (RKHS), with the kernel determining the level of localization of the statistical risk guarantee. The theoretical results highlight a trade-off between localization of the statistical risk and convergence speed to the long-term risk target. Thanks to localization, L-ARC is demonstrated via experiments to produce prediction sets with risk guarantees across different data subpopulations, significantly improving the fairness of the calibrated model for tasks such as image segmentation and beam selection in wireless networks.
Theoretical and Empirical Insights into the Origins of Degree Bias in Graph Neural Networks
Authors: Jian Kang, Yizhou Sun Arjun Subramonian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Graph Neural Networks (GNNs) often perform better for high-degree nodes than low-degree nodes on node classification tasks. This degree bias can reinforce social marginalization by, e.g., privileging celebrities and other high-degree actors in social networks during social and content recommendation. While researchers have proposed numerous hypotheses for why GNN degree bias occurs, we find via a survey of 38 degree bias papers that these hypotheses are often not rigorously validated, and can even be contradictory. Thus, we provide an analysis of the origins of degree bias in message-passing GNNs with different graph filters. We prove that high-degree test nodes tend to have a lower probability of misclassification regardless of how GNNs are trained. Moreover, we show that degree bias arises from a variety of factors that are associated with a node's degree (e.g., homophily of neighbors, diversity of neighbors). Furthermore, we show that during training, some GNNs may adjust their loss on low-degree nodes more slowly than on high-degree nodes; however, with sufficiently many epochs of training, message-passing GNNs can achieve their maximum possible training accuracy, which is not significantly limited by their expressive power. Throughout our analysis, we connect our findings to previously-proposed hypotheses for the origins of degree bias, supporting and unifying some while drawing doubt to others. We validate our theoretical findings on 8 common real-world networks, and based on our theoretical and empirical insights, describe a roadmap to alleviate degree bias.
Federated Learning under Periodic Client Participation and Heterogeneous Data: A New Communication-Efficient Algorithm and Analysis
Authors: Mingrui Liu Michael Crawshaw
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In federated learning, it is common to assume that clients are always available to participate in training, which may not be feasible with user devices in practice. Recent works analyze federated learning under more realistic participation patterns, such as cyclic client availability or arbitrary participation. However, all such works either require strong assumptions (e.g., all clients participate almost surely within a bounded window), do not achieve linear speedup and reduced communication rounds, or are not applicable in the general non-convex setting. In this work, we focus on nonconvex optimization and consider participation patterns in which the chance of participation over a fixed window of rounds is equal among all clients, which includes cyclic client availability as a special case. Under this setting, we propose a new algorithm, named Amplified SCAFFOLD, and prove that it achieves linear speedup, reduced communication, and resilience to data heterogeneity simultaneously. In particular, for cyclic participation, our algorithm is proved to enjoy $\mathcal{O}(\epsilon^{-2})$ communication rounds to find an $\epsilon$-stationary point in the non-convex stochastic setting. In contrast, the prior work under the same setting requires $\mathcal{O}(\kappa^2 \epsilon^{-4})$ communication rounds, where $\kappa$ denotes the data heterogeneity. Therefore, our algorithm significantly reduces communication rounds due to better dependency in terms of $\epsilon$ and $\kappa$. Our analysis relies on a fine-grained treatment of the nested dependence between client participation and errors in the control variates, which results in tighter guarantees than previous work. We also provide experimental results with (1) synthetic data and (2) real-world data with a large number of clients $(N = 250)$, demonstrating the effectiveness of our algorithm under periodic client participation.
xMIL: Insightful Explanations for Multiple Instance Learning in Histopathology
Authors: Mina Jamshidi Idaji, Oliver Eberle, Thomas Schnake, Jonas Dippel, Laure Ciernik, Oliver Buchstab, Andreas Mock, Frederick Klauschen, Klaus-Robert Müller Julius Hense
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Multiple instance learning (MIL) is an effective and widely used approach for weakly supervised machine learning. In histopathology, MIL models have achieved remarkable success in tasks like tumor detection, biomarker prediction, and outcome prognostication. However, MIL explanation methods are still lagging behind, as they are limited to small bag sizes or disregard instance interactions. We revisit MIL through the lens of explainable AI (XAI) and introduce xMIL, a refined framework with more general assumptions. We demonstrate how to obtain improved MIL explanations using layer-wise relevance propagation (LRP) and conduct extensive evaluation experiments on three toy settings and four real-world histopathology datasets. Our approach consistently outperforms previous explanation attempts with particularly improved faithfulness scores on challenging biomarker prediction tasks. Finally, we showcase how xMIL explanations enable pathologists to extract insights from MIL models, representing a significant advance for knowledge discovery and model debugging in digital histopathology.
Generalized Linear Bandits with Limited Adaptivity
Authors: Nirjhar Das, Siddharth Barman, Gaurav Sinha Ayush Sawarni
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the generalized linear contextual bandit problem within the constraints of limited adaptivity.  In this paper, we present two algorithms, B-GLinCB and RS-GLinCB, that address, respectively, two prevalent limited adaptivity settings. Given a budget $M$ on the number of policy updates, in the first setting, the algorithm needs to decide upfront $M$ rounds at which it will update its policy, while in the second setting it can adaptively perform $M$ policy updates during its course. For the first setting, we design an algorithm B-GLinCB, that incurs $\tilde{O}(\sqrt{T})$ regret when $M = \Omega( \log{\log T} )$ and the arm feature vectors are generated stochastically. For the second setting, we design an algorithm RS-GLinCB that updates its policy $\tilde{O}(\log^2 T)$ times and achieves a regret of $\tilde{O}(\sqrt{T})$ even when the arm feature vectors are adversarially generated. Notably, in these bounds, we manage to eliminate the dependence on a key instance dependent parameter $\kappa$, that captures non-linearity of the underlying reward model. Our novel approach for removing this dependence for generalized linear contextual bandits might be of independent interest.
Image-aware Evaluation of Generated Medical Reports
Authors: Elad Hirsch, Ayellet Tal Gefen Dawidowicz
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The paper proposes a novel evaluation metric for automatic medical report generation from X-ray images, VLScore. It aims to overcome the limitations of existing evaluation methods, which either focus solely on textual similarities, ignoring clinical aspects, or concentrate only on a single clinical aspect, the pathology, neglecting all other factors. The key idea of our metric is to measure the similarity between radiology reports while considering the corresponding image. We demonstrate the benefit of our metric through evaluation on a dataset where radiologists marked errors in pairs of reports, showing notable alignment with radiologists' judgments. In addition, we provide a new dataset for evaluating metrics. This dataset includes well-designed perturbations that distinguish between significant modifications (e.g., removal of a diagnosis) and insignificant ones. It highlights the weaknesses in current evaluation metrics and provides a clear framework for analysis.
Large Language Models-guided Dynamic Adaptation for Temporal Knowledge Graph Reasoning
Authors: Kai Sun, Linhao Luo, Wei Wei, Yongli Hu, Alan Wee-Chung Liew, Shirui Pan, Baocai Yin Jiapu Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Temporal Knowledge Graph Reasoning (TKGR) is the process of utilizing temporal information to capture complex relations within a Temporal Knowledge Graph (TKG) to infer new knowledge. Conventional methods in TKGR typically depend on deep learning algorithms or temporal logical rules. However, deep learning-based TKGRs often lack interpretability, whereas rule-based TKGRs struggle to effectively learn temporal rules that capture temporal patterns. Recently, Large Language Models (LLMs) have demonstrated extensive knowledge and remarkable proficiency in temporal reasoning. Consequently, the employment of LLMs for Temporal Knowledge Graph Reasoning (TKGR) has sparked increasing interest among researchers. Nonetheless, LLMs are known to function as black boxes, making it challenging to comprehend their reasoning process. Additionally, due to the resource-intensive nature of fine-tuning, promptly updating LLMs to integrate evolving knowledge within TKGs for reasoning is impractical. To address these challenges, in this paper, we propose a Large Language Models-guided Dynamic Adaptation (LLM-DA) method for reasoning on TKGs. Specifically, LLM-DA harnesses the capabilities of LLMs to analyze historical data and extract temporal logical rules. These rules unveil temporal patterns and facilitate interpretable reasoning. To account for the evolving nature of TKGs, a dynamic adaptation strategy is proposed to update the LLM-generated rules with the latest events. This ensures that the extracted rules always incorporate the most recent knowledge and better generalize to the predictions on future events. Experimental results show that without the need of fine-tuning, LLM-DA significantly improves the accuracy of reasoning over several common datasets, providing a robust framework for TKGR tasks.
An effective framework for estimating individualized treatment rules
Authors: Jared D. Huling, Guanhua Chen Joowon Lee
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Estimating individualized treatment rules (ITRs) is fundamental in causal inference, particularly for precision medicine applications. Traditional ITR estimation methods rely on inverse probability weighting (IPW) to address confounding factors and $L_{1}$-penalization for simplicity and interpretability. However, IPW can introduce statistical bias without precise propensity score modeling, while $L_1$-penalization makes the objective non-smooth, leading to computational bias and requiring subgradient methods. In this paper, we propose a unified ITR estimation framework formulated as a constrained, weighted, and smooth convex optimization problem. The optimal ITR can be robustly and effectively computed by projected gradient descent. Our comprehensive theoretical analysis reveals that weights that balance the spectrum of a `weighted design matrix' improve both the optimization and likelihood landscapes, yielding improved computational and statistical estimation guarantees. In particular, this is achieved by distributional covariate balancing weights, which are model-free alternatives to IPW. Extensive simulations and applications demonstrate that our framework achieves significant gains in both robustness and effectiveness for ITR learning against existing methods.
A Simple and Adaptive Learning Rate for FTRL in Online Learning with Minimax Regret of $\Theta(T^{2/3})$ and its Application to Best-of-Both-Worlds
Authors: Shinji Ito Taira Tsuchiya
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Follow-the-Regularized-Leader (FTRL) is a powerful framework for various online learning problems. By designing its regularizer and learning rate to be adaptive to past observations, FTRL is known to work adaptively to various properties of an underlying environment. However, most existing adaptive learning rates are for online learning problems with a minimax regret of $\Theta(\sqrt{T})$ for the number of rounds $T$, and there are only a few studies on adaptive learning rates for problems with a minimax regret of $\Theta(T^{2/3})$, which include several important problems dealing with indirect feedback. To address this limitation, we establish a new adaptive learning rate framework for problems with a minimax regret of $\Theta(T^{2/3})$. Our learning rate is designed by matching the stability, penalty, and bias terms that naturally appear in regret upper bounds for problems with a minimax regret of $\Theta(T^{2/3})$. As applications of this framework, we consider three major problems with a minimax regret of $\Theta(T^{2/3})$: partial monitoring, graph bandits, and multi-armed bandits with paid observations. We show that FTRL with our learning rate and the Tsallis entropy regularizer improves existing Best-of-Both-Worlds (BOBW) regret upper bounds, which achieve simultaneous optimality in the stochastic and adversarial regimes. The resulting learning rate is surprisingly simple compared to the existing learning rates for BOBW algorithms for problems with a minimax regret of $\Theta(T^{2/3})$.
Rethinking Fourier Transform from A Basis Functions Perspective for Long-term Time Series Forecasting
Authors: Longbing Cao, Jianxun Li, Jie Yang Runze Yang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The interaction between Fourier transform and deep learning opens new avenues for long-term time series forecasting (LTSF). We propose a new perspective to reconsider the Fourier transform from a basis functions perspective. Specifically, the real and imaginary parts of the frequency components can be viewed as the coefficients of cosine and sine basis functions at tiered frequency levels, respectively. We argue existing Fourier-based methods do not involve basis functions thus fail to interpret frequency coefficients precisely and consider the time-frequency relationship sufficiently, leading to inconsistent starting cycles and inconsistent series length issues. Accordingly, a novel Fourier basis mapping (FBM) method addresses these issues by mixing time and frequency domain features through Fourier basis expansion. Differing from existing approaches, FBM (i) embeds the discrete Fourier transform with basis functions, and then (ii) can enable plug-and-play in various types of neural networks for better performance. FBM extracts explicit frequency features while preserving temporal characteristics, enabling the mapping network to capture the time-frequency relationships. By incorporating our unique time-frequency features, the FBM variants can enhance any type of networks like linear, multilayer-perceptron-based, transformer-based, and Fourier-based networks, achieving state-of-the-art LTSF results on diverse real-world datasets with just one or three fully connected layers. The code is available at: https://github.com/runze1223/Fourier-Basis-Mapping.
Beyond Primal-Dual Methods in Bandits with Stochastic and Adversarial Constraints
Authors: Matteo Castiglioni, Andrea Celli, Federico Fusco Martino Bernasconi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We address a generalization of the bandit with knapsacks problem, where a learner aims to maximize rewards while satisfying an arbitrary set of long-term constraints. Our goal is to design best-of-both-worlds algorithms that perform optimally under both stochastic and adversarial constraints. Previous works address this problem via primal-dual methods, and require some stringent assumptions, namely the Slater's condition, and in adversarial settings, they either assume knowledge of a lower bound on the Slater's parameter, or impose strong requirements on the primal and dual regret minimizers such as requiring weak adaptivity. We propose an alternative and more natural approach based on optimistic estimations of the constraints. Surprisingly, we show that estimating the constraints with an UCB-like approach guarantees optimal performances.Our algorithm consists of two main components: (i) a regret minimizer working on moving strategy sets and (ii) an estimate of the feasible set as an optimistic weighted empirical mean of previous samples. The key challenge in this approach is designing adaptive weights that meet the different requirements for stochastic and adversarial constraints. Our algorithm is significantly simpler than previous approaches, and has a cleaner analysis. Moreover, ours is the first best-of-both-worlds algorithm providing bounds logarithmic in the number of constraints. Additionally, in stochastic settings, it provides $\widetilde O(\sqrt{T})$ regret without Slater's condition.
Rethinking Model-based, Policy-based, and Value-based Reinforcement Learning via the Lens of Representation Complexity
Authors: Han Zhong Guhao Feng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reinforcement Learning (RL) encompasses diverse paradigms, including model-based RL, policy-based RL, and value-based RL, each tailored to approximate the model, optimal policy, and optimal value function, respectively. This work investigates the potential hierarchy of representation complexity among these RL paradigms. By utilizing computational complexity measures, including time complexity and circuit complexity, we theoretically unveil a potential representation complexity hierarchy within RL. We find that representing the model emerges as the easiest task, followed by the optimal policy, while representing the optimal value function presents the most intricate challenge. Additionally, we reaffirm this hierarchy from the perspective of the expressiveness of Multi-Layer Perceptrons (MLPs), which align more closely with practical deep RL and contribute to a completely new perspective in theoretical studying representation complexity in RL. Finally, we conduct deep RL experiments to validate our theoretical findings.
Visual CoT: Advancing Multi-Modal Language Models with a Comprehensive Dataset and Benchmark for Chain-of-Thought Reasoning
Authors: Shengju Qian, Han Xiao, Guanglu Song, Zhuofan Zong, Letian Wang, Yu Liu, Hongsheng Li Hao Shao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Multi-Modal Large Language Models (MLLMs) have demonstrated impressive performance in various VQA tasks. However, they often lack interpretability and struggle with complex visual inputs, especially when the resolution of the input image is high or when the interested region that could provide key information for answering the question is small. To address these challenges, we collect and introduce the large-scale Visual CoT dataset comprising 438k question-answer pairs, annotated with intermediate bounding boxes highlighting key regions essential for answering the questions. Additionally, about 98k pairs of them are annotated with detailed reasoning steps. Importantly, we propose a multi-turn processing pipeline that dynamically focuses on visual inputs and provides interpretable thoughts. We also introduce the related benchmark to evaluate the MLLMs in scenarios requiring specific local region identification.Extensive experiments demonstrate the effectiveness of our framework and shed light on better inference strategies. The Visual CoT dataset, benchmark, and pre-trained models are available on this website to support further research in this area.
Invisible Image Watermarks Are Provably Removable Using Generative AI
Authors: Kexun Zhang, Zihao Su, Saastha Vasan, Ilya Grishchenko, Christopher Kruegel, Giovanni Vigna, Yu-Xiang Wang, Lei Li Xuandong Zhao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Invisible watermarks safeguard images' copyrights by embedding hidden messages only detectable by owners. They also prevent people from misusing images, especially those generated by AI models.We propose a family of regeneration attacks to remove these invisible watermarks. The proposed attack method first adds random noise to an image to destroy the watermark and then reconstructs the image. This approach is flexible and can be instantiated with many existing image-denoising algorithms and pre-trained generative models such as diffusion models. Through formal proofs and extensive empirical evaluations, we demonstrate that pixel-level invisible watermarks are vulnerable to this regeneration attack.Our results reveal that, across four different pixel-level watermarking schemes, the proposed method consistently achieves superior performance compared to existing attack techniques, with lower detection rates and higher image quality.However, watermarks that keep the image semantically similar can be an alternative defense against our attacks.Our finding underscores the need for a shift in research/industry emphasis from invisible watermarks to semantic-preserving watermarks. Code is available at https://github.com/XuandongZhao/WatermarkAttacker
Stochastic Optimization Schemes for Performative Prediction with Nonconvex Loss
Authors: Hoi-To Wai Qiang Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper studies a risk minimization problem with decision dependent data distribution. The problem pertains to the performative prediction setting in which a trained model can affect the outcome estimated by the model. Such dependency creates a feedback loop that influences the stability of optimization algorithms such as stochastic gradient descent (SGD). We present the first study on performative prediction with smooth but possibly non-convex loss. We analyze a greedy deployment scheme with SGD (SGD-GD). Note that in the literature, SGD-GD is often studied with strongly convex loss. We first propose the definition of stationary performative stable (SPS) solutions through relaxing the popular performative stable condition. We then prove that SGD-GD converges to a biased SPS solution in expectation. We consider two conditions of sensitivity on the distribution shifts: (i) the sensitivity is characterized by Wasserstein-1 distance and the loss is Lipschitz w.r.t.~data samples, or (ii) the sensitivity is characterized by total variation (TV) divergence and the loss is bounded. In both conditions, the bias levels are proportional to the stochastic gradient's variance and sensitivity level. Our analysis is extended to a lazy deployment scheme where models are deployed once per several SGD updates, and we show that it converges to an SPS solution with reduced bias. Numerical experiments corroborate our theories.
MMDU: A Multi-Turn Multi-Image Dialog Understanding Benchmark and Instruction-Tuning Dataset for LVLMs
Authors: Tao Chu, Yuhang Zang, Xilin Wei, Xiaoyi Dong, Pan Zhang, Zijian Liang, Yuanjun Xiong, Yu Qiao, Dahua Lin, Jiaqi Wang Ziyu Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Generating natural and meaningful responses to communicate with multi-modal human inputs is a fundamental capability of Large Vision-Language Models (LVLMs). While current open-source LVLMs demonstrate promising performance in simplified scenarios such as single-turn single-image input, they fall short in real-world conversation scenarios such as following instructions in a long context history with multi-turn and multi-images. Existing LVLM benchmarks primarily focus on single-choice questions or short-form responses, which do not adequately assess the capabilities of LVLMs in real-world human-AI interaction applications. Therefore, we introduce MMDU, a comprehensive benchmark, and MMDU-45k, a large-scale instruction tuning dataset, designed to evaluate and improve LVLMs' abilities in multi-turn and multi-image conversations. We employ the clustering algorithm to find the relevant images and textual descriptions from the open-source Wikipedia and construct the question-answer pairs by human annotators with the assistance of the GPT-4o model.MMDU has a maximum of 18k image+text tokens, 20 images, and 27 turns, which is at least 5x longer than previous benchmarks and poses challenges to current LVLMs. Our in-depth analysis of 15 representative LVLMs using MMDU reveals that open-source LVLMs lag behind closed-source counterparts due to limited conversational instruction tuning data.We demonstrate that fine-tuning open-source LVLMs on MMDU-45k significantly address this gap, generating longer and more accurate conversations, and improving scores on MMDU and existing benchmarks (MMStar: +1.1%, MathVista: +1.5%, ChartQA: +1.2%). Our contributions pave the way for bridging the gap between current LVLM models and real-world application demands. The links to MMDU, and MMDU-45k are available in the supplementary material.
SDP4Bit: Toward 4-bit Communication Quantization in Sharded Data Parallelism for LLM Training
Authors: Cong Xie, Hanlin Lu, Daoce Wang, Hao Feng, Chengming Zhang, Baixi Sun, Haibin Lin, Zhi Zhang, Xin Liu, Dingwen Tao Jinda Jia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent years have witnessed a clear trend towards language models with an ever-increasing number of parameters, as well as the growing training overhead and memory usage. Distributed training, particularly through Sharded Data Parallelism (ShardedDP) which partitions optimizer states among workers, has emerged as a crucial technique to mitigate training time and memory usage. Yet, a major challenge in the scalability of ShardedDP is the intensive communication of weights and gradients. While compression techniques can alleviate this issue, they often result in worse accuracy. Driven by this limitation, we propose SDP4Bit (Toward 4Bit Communication Quantization in Sharded Data Parallelism for LLM Training), which effectively reduces the communication of weights and gradients to nearly 4 bits via two novel techniques: quantization on weight differences, and two-level gradient smooth quantization. Furthermore, SDP4Bit presents an algorithm-system co-design with runtime optimization to minimize the computation overhead of compression. Additional to the theoretical guarantees of convergence, we empirically evaluate the accuracy of SDP4Bit on the pre-training of GPT models with up to 6.7 billion parameters, and the results demonstrate a negligible impact on training loss. Furthermore, speed experiments show that SDP4Bit achieves up to 4.08× speedup in end-to-end throughput on a scale of 128 GPUs.
How Does Message Passing Improve Collaborative Filtering?
Authors: William Shiao, Zhichun Guo, Yanfang Ye, Yozen Liu, Neil Shah, Tong Zhao Clark Mingxuan Ju
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Collaborative filtering (CF) has exhibited prominent results for recommender systems and been broadly utilized for real-world applications.A branch of research enhances CF methods by message passing (MP) used in graph neural networks, due to its strong capabilities of extracting knowledge from graph-structured data, like user-item bipartite graphs that naturally exist in CF. They assume that MP helps CF methods in a manner akin to its benefits for graph-based learning tasks in general (e.g., node classification). However, even though MP empirically improves CF, whether or not this assumption is correct still needs verification. To address this gap, we formally investigate why MP helps CF from multiple perspectives and show that many assumptions made by previous works are not entirely accurate. With our curated ablation studies and theoretical analyses, we discover that (i) MP improves the CF performance primarily by additional representations passed from neighbors during the forward pass instead of additional gradient updates to neighbor representations during the model back-propagation and (ii) MP usually helps low-degree nodes more than high-degree nodes.}Utilizing these novel findings, we present Test-time Aggregation for Collaborative Filtering, namely TAG-CF, a test-time augmentation framework that only conducts MP once at inference time. The key novelty of TAG-CF is that it effectively utilizes graph knowledge while circumventing most of notorious computational overheads of MP. Besides, TAG-CF is extremely versatile can be used as a plug-and-play module to enhance representations trained by different CF supervision signals. Evaluated on six datasets (i.e., five academic benchmarks and one real-world industrial dataset), TAG-CF consistently improves the recommendation performance of CF methods without graph by up to 39.2% on cold users and 31.7% on all users, with little to no extra computational overheads. Furthermore, compared with trending graph-enhanced CF methods, TAG-CF delivers comparable or even better performance with less than 1% of their total training times. Our code is publicly available at https://github.com/snap-research/Test-time-Aggregation-for-CF.
An Adaptive Approach for Infinitely Many-armed Bandits under Generalized Rotting Constraints
Authors: Milan Vojnović, Se-Young Yun Jung-hun Kim
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this study, we consider the infinitely many-armed bandit problems in a rested rotting setting, where the mean reward of an arm may decrease with each pull, while otherwise, it remains unchanged. We explore two scenarios regarding the rotting of rewards: one in which the cumulative amount of rotting is bounded by $V_T$, referred to as the slow-rotting case, and the other in which the cumulative number of rotting instances is bounded by $S_T$, referred to as the abrupt-rotting case. To address the challenge posed by rotting rewards, we introduce an algorithm that utilizes UCB with an adaptive sliding window, designed to manage the bias and variance trade-off arising due to rotting rewards. Our proposed algorithm achieves tight regret bounds for both slow and abrupt rotting scenarios. Lastly, we demonstrate the performance of our algorithm using numerical experiments.
Near-Optimal Streaming Heavy-Tailed Statistical Estimation with Clipped SGD
Authors: Dheeraj Nagaraj, Soumyabrata Pal, Arun Sai Suggala, Prateek Varshney Aniket Das
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: $\newcommand{\Tr}{\mathsf{Tr}}$We consider the problem of high-dimensional heavy-tailed statistical estimation in the streaming setting, which is much harder than the traditional batch setting due to memory constraints. We cast this problem as stochastic convex optimization with heavy tailed stochastic gradients, and prove that the widely used Clipped-SGD algorithm attains near-optimal sub-Gaussian statistical rates whenever the second moment of the stochastic gradient noise is finite. More precisely, with $T$ samples, we show that Clipped-SGD, for smooth and strongly convex objectives, achieves an error of $\sqrt{\frac{\Tr(\Sigma)+\sqrt{\Tr(\Sigma)\\|\Sigma\\|_2}\ln(\tfrac{\ln(T)}{\delta})}{T}}$ with probability $1-\delta$, where $\Sigma$ is the covariance of the clipped gradient. Note that the fluctuations (depending on $\tfrac{1}{\delta}$) are of lower order than the term $\Tr(\Sigma)$.This improves upon the current best rate of$\sqrt{\frac{\Tr(\Sigma)\ln(\tfrac{1}{\delta})}{T}}$ for Clipped-SGD, known \emph{only} for smooth and strongly convex objectives. Our results also extend to smooth convex and lipschitz convex objectives. Key to our result is a novel iterative refinement strategy for martingale concentration, improving upon the PAC-Bayes approach of \citet{catoni2018dimension}.
Kernel Language Entropy: Fine-grained Uncertainty Quantification for LLMs from Semantic Similarities
Authors: Jannik Kossen, Yarin Gal, Pekka Marttinen Alexander Nikitin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Uncertainty quantification in Large Language Models (LLMs) is crucial for applications where safety and reliability are important. In particular, uncertainty can be used to improve the trustworthiness of LLMs by detecting factually incorrect model responses, commonly called hallucinations. Critically, one should seek to capture the model's semantic uncertainty, i.e., the uncertainty over the meanings of LLM outputs, rather than uncertainty over lexical or syntactic variations that do not affect answer correctness.To address this problem, we propose Kernel Language Entropy (KLE), a novel method for uncertainty estimation in white- and black-box LLMs. KLE defines positive semidefinite unit trace kernels to encode the semantic similarities of LLM outputs and quantifies uncertainty using the von Neumann entropy. It considers pairwise semantic dependencies between answers (or semantic clusters), providing more fine-grained uncertainty estimates than previous methods based on hard clustering of answers. We theoretically prove that KLE generalizes the previous state-of-the-art method called semantic entropy and empirically demonstrate that it improves uncertainty quantification performance across multiple natural language generation datasets and LLM architectures.
Fine Tuning Out-of-Vocabulary Item Recommendation with User Sequence Imagination
Authors: Hao Chen, Yuanchen Bei, Qijie Shen, Fangwei Zhong, Senzhang Wang, Jianxin Wang Ruochen Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recommending out-of-vocabulary (OOV) items is a challenging problem since the in-vocabulary (IV) items have well-trained behavioral embeddings but the OOV items only have content features. Current OOV recommendation models often generate 'makeshift' embeddings for OOV items from content features and then jointly recommend with the `makeshift' OOV item embeddings and the behavioral IV item embeddings. However, merely using the 'makeshift' embedding will result in suboptimal recommendation performance due to the substantial gap between the content feature and the behavioral embeddings. To bridge the gap, we propose a novel User Sequence IMagination (USIM) fine-tuning framework, which first imagines the user sequences and then refines the generated OOV embeddings with the user behavioral embeddings. Specifically, we frame the user sequence imagination as a reinforcement learning problem and develop a recommendation-focused reward function to evaluate to what extent a user can help recommend the OOV items. Besides, we propose an embedding-driven transition function to model the embedding transition after imaging a user. USIM has been deployed on a prominent e-commerce platform for months, offering recommendations for millions of OOV items and billions of users. Extensive experiments demonstrate that USIM outperforms traditional generative models in OOV item recommendation performance across traditional collaborative filtering and GNN-based collaborative filtering models.
Data Mixture Inference Attack: BPE Tokenizers Reveal Training Data Compositions
Authors: Alisa Liu, Yejin Choi, Sewoong Oh, Noah A. Smith Jonathan Hayase
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The pretraining data of today's strongest language models remains opaque, even when their parameters are open-sourced.In particular, little is known about the proportions of different domains, languages, or code represented in the data. While a long line of membership inference attacks aim to identify training examples on an instance level, they do not extend easily to global statistics about the corpus. In this work, we tackle a task which we call data mixture inference, which aims to uncover the distributional make-up of the pretraining data. We introduce a novel attack based on a previously overlooked source of information — byte-pair encoding (BPE) tokenizers, used by the vast majority of modern language models. Our key insight is that the ordered vocabulary learned by a BPE tokenizer naturally reveals information about the token frequencies in its training data: the first token is the most common byte pair, the second is the most common pair after merging the first token, and so on. Given a tokenizer's merge list along with data samples for each category of interest (e.g., different natural languages), we formulate a linear program that solves for the relative proportion of each category in the tokenizer's training set. Importantly, to the extent to which tokenizer training data is representative of the pretraining data, we indirectly learn about the pretraining data. In controlled experiments, we show that our attack can recover mixture ratios with high precision for tokenizers trained on known mixtures of natural languages, programming languages, and data sources. We then apply our approach to off-the-shelf tokenizers released alongside recent LMs. We confirm much publicly disclosed information about these models, and also make several new inferences: GPT-4o is much more multilingual than its predecessors, training on 10x more non-English data than GPT-3.5, Llama 3 and Claude are trained on predominantly code, and many recent models are trained on 7-16% books. We hope our work sheds light on current design practices for pretraining data, and inspires continued research into data mixture inference for LMs.
Improving Deep Learning Optimization through Constrained Parameter Regularization
Authors: Michael Hefenbrock, Gregor Koehler, Frank Hutter Jörg K.H. Franke
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Regularization is a critical component in deep learning. The most commonly used approach, weight decay, applies a constant penalty coefficient uniformly across all parameters. This may be overly restrictive for some parameters, while insufficient for others. To address this, we present Constrained Parameter Regularization (CPR) as an alternative to traditional weight decay. Unlike the uniform application of a single penalty, CPR enforces an upper bound on a statistical measure, such as the L$_2$-norm, of individual parameter matrices. Consequently, learning becomes a constraint optimization problem, which we tackle using an adaptation of the augmented Lagrangian method. CPR introduces only a minor runtime overhead and only requires setting an upper bound. We propose simple yet efficient mechanisms for initializing this bound, making CPR rely on no hyperparameter or one, akin to weight decay. Our empirical studies on computer vision and language modeling tasks demonstrate CPR's effectiveness. The results show that CPR can outperform traditional weight decay and increase performance in pre-training and fine-tuning.
A generalized neural tangent kernel for surrogate gradient learning
Authors: Raoul-Martin Memmesheimer, Sven Goedeke Luke Eilers
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: State-of-the-art neural network training methods depend on the gradient of the network function. Therefore, they cannot be applied to networks whose activation functions do not have useful derivatives, such as binary and discrete-time spiking neural networks. To overcome this problem, the activation function's derivative is commonly substituted with a surrogate derivative, giving rise to surrogate gradient learning (SGL). This method works well in practice but lacks theoretical foundation.The neural tangent kernel (NTK) has proven successful in the analysis of gradient descent. Here, we provide a generalization of the NTK, which we call the surrogate gradient NTK, that enables the analysis of SGL. First, we study a naive extension of the NTK to activation functions with jumps, demonstrating that gradient descent for such activation functions is also ill-posed in the infinite-width limit. To address this problem, we generalize the NTK to gradient descent with surrogate derivatives, i.e., SGL. We carefully define this generalization and expand the existing key theorems on the NTK with mathematical rigor. Further, we illustrate our findings with numerical experiments. Finally, we numerically compare SGL in networks with sign activation function and finite width to kernel regression with the surrogate gradient NTK; the results confirm that the surrogate gradient NTK provides a good characterization of SGL.
Soft Prompt Threats: Attacking Safety Alignment and Unlearning in Open-Source LLMs through the Embedding Space
Authors: David Dobre, Sophie Xhonneux, Gauthier Gidel, Stephan Günnemann Leo Schwinn
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Current research in adversarial robustness of LLMs focuses on \textit{discrete} input manipulations in the natural language space, which can be directly transferred to \textit{closed-source} models. However, this approach neglects the steady progression of \textit{open-source} models. As open-source models advance in capability, ensuring their safety becomes increasingly imperative. Yet, attacks tailored to open-source LLMs that exploit full model access remain largely unexplored. We address this research gap and propose the \textit{embedding space attack}, which directly attacks the \textit{continuous} embedding representation of input tokens.We find that embedding space attacks circumvent model alignments and trigger harmful behaviors more efficiently than discrete attacks or model fine-tuning. Additionally, we demonstrate that models compromised by embedding attacks can be used to create discrete jailbreaks in natural language. Lastly, we present a novel threat model in the context of unlearning and show that embedding space attacks can extract supposedly deleted information from unlearned LLMs across multiple datasets and models. Our findings highlight embedding space attacks as an important threat model in open-source LLMs.
AlphaPruning: Using Heavy-Tailed Self Regularization Theory for Improved Layer-wise Pruning of Large Language Models
Authors: Yefan Zhou, Shiwei Liu, Zhangyang Wang, Michael W. Mahoney, Yaoqing Yang Haiquan Lu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent work on pruning large language models (LLMs) has shown that one can eliminate a large number of parameters without compromising performance, making pruning a promising strategy to reduce LLM model size. Existing LLM pruning strategies typically assign uniform pruning ratios across layers, limiting overall pruning ability; and recent work on layerwise pruning of LLMs is often based on heuristics that can easily lead to suboptimal performance. In this paper, we leverage Heavy-Tailed Self-Regularization (HT-SR) Theory, in particular the shape of empirical spectral densities (ESDs) of weight matrices, to design improved layerwise pruning ratios for LLMs. Our analysis reveals a wide variability in how well-trained, and thus relatedly how prunable, different layers of an LLM are. Based on this, we propose AlphaPruning, which uses shape metrics to allocate layerwise sparsity ratios in a more theoretically-principled manner. AlphaPruning can be used in conjunction with multiple existing LLM pruning methods. Our empirical results show that AlphaPruning prunes LLaMA-7B to 80% sparsity while maintaining reasonable perplexity, marking a first in the literature on LLMs.
Towards Open-Vocabulary Semantic Segmentation Without Semantic Labels
Authors: Chaehyun Kim, Sunghwan Hong, Seokju Cho, Anurag Arnab, Paul Hongsuck Seo, Seungryong Kim Heeseong Shin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large-scale vision-language models like CLIP have demonstrated impressive open-vocabulary capabilities for image-level tasks, excelling in recognizing what objects are present. However, they struggle with pixel-level recognition tasks like semantic segmentation, which require understanding where the objects are located. In this work, we propose a novel method, PixelCLIP, to adapt the CLIP image encoder for pixel-level understanding by guiding the model on where, which is achieved using unlabeled images and masks generated from vision foundation models such as SAM and DINO. To address the challenges of leveraging masks without semantic labels, we devise an online clustering algorithm using learnable class names to acquire general semantic concepts. PixelCLIP shows significant performance improvements over CLIP and competitive results compared to caption-supervised methods in open-vocabulary semantic segmentation.