NeurIPS 2024 Papers

To reduce the communication cost of differential privacy mechanisms, we introduce a novel construction, called Poisson private representation (PPR), designed to compress and simulate any local randomizer while ensuring local differential privacy. Unlike previous simulation-based local differential privacy mechanisms, PPR exactly preserves the joint distribution of the data and the output of the original local randomizer. Hence, the PPR-compressed privacy mechanism retains all desirable statistical properties of the original privacy mechanism such as unbiasedness and Gaussianity. Moreover, PPR achieves a compression size within a logarithmic gap from the theoretical lower bound. Using the PPR, we give a new order-wise trade-off between communication, accuracy, central and local differential privacy for distributed mean estimation. Experiment results on distributed mean estimation show that PPR consistently gives a better trade-off between communication, accuracy and central differential privacy compared to the coordinate subsampled Gaussian mechanism, while also providing local differential privacy.

The feasibility of variational quantum algorithms, the most popular correspondent of neural networks on noisy, near-term quantum hardware, is highly impacted by the circuit depth of the involved parametrized quantum circuits (PQCs). Higher depth increases expressivity, but also results in a detrimental accumulation of errors. Furthermore, the number of parameters involved in the PQC significantly influences the performance through the necessary number of measurements to evaluate gradients, which scales linearly with the number of parameters. Motivated by this, we look at deep equilibrium models (DEQs), which mimic an infinite-depth, weight-tied network using a fraction of the memory by employing a root solver to find the fixed points of the network. In this work, we present Quantum Deep Equilibrium Models (QDEQs): a training paradigm that learns parameters of a quantum machine learning model given by a PQC using DEQs. To our knowledge, no work has yet explored the application of DEQs to QML models. We apply QDEQs to find the parameters of a quantum circuit in two settings: the first involves classifying MNIST-4 digits with 4 qubits; the second extends it to 10 classes of MNIST, FashionMNIST and CIFAR. We find that QDEQ is not only competitive with comparable existing baseline models, but also achieves higher performance than a network with 5 times more layers. This demonstrates that the QDEQ paradigm can be used to develop significantly more shallow quantum circuits for a given task, something which is essential for the utility of near-term quantum computers. Our code is available at \url{https://github.com/martaskrt/qdeq}.

Personalization has emerged as a critical research area in modern intelligent systems, focusing on mining users' behavioral history and adapting to their preferences for delivering tailored experiences. Despite the remarkable few-shot capabilities exhibited by black-box large language models (LLMs), the inherent opacity of their model parameters presents significant challenges in aligning the generated output with individual expectations. Existing solutions have primarily focused on prompt design to incorporate user-specific profiles and behaviors; however, such approaches often struggle to generalize effectively due to their inability to capture shared knowledge among all users. To address these challenges, we propose HYDRA, a model factorization framework that captures both user-specific behavior patterns from historical data and shared general knowledge among all users to deliver personalized generation. In order to capture user-specific behavior patterns, we first train a reranker to prioritize the most useful information from top-retrieved relevant historical records. By combining the prioritized history with the corresponding query, we train an adapter to align the output with individual user-specific preferences, eliminating the reliance on access to inherent model parameters of black-box LLMs. Both the reranker and the adapter can be decomposed into a base model with multiple user-specific heads, resembling a hydra. The base model maintains shared knowledge across users, while the multiple personal heads capture user-specific preferences. Experimental results demonstrate that \method outperforms existing state-of-the-art prompt-based methods by an average relative improvement of 9.01% across five diverse personalization tasks in the LaMP benchmark.

Signed graphs can model friendly or antagonistic relations where edges are annotated with a positive or negative sign. The main downstream task in signed graph analysis is $\textit{link sign prediction}$. Signed Graph Neural Networks (SGNNs) have been widely used for signed graph representation learning. While significant progress has been made in SGNNs research, two issues (i.e., graph sparsity and unbalanced triangles) persist in the current SGNN models. We aim to alleviate these issues through data augmentation ($\textit{DA}$) techniques which have demonstrated effectiveness in improving the performance of graph neural networks. However, most graph augmentation methods are primarily aimed at graph-level and node-level tasks (e.g., graph classification and node classification) and cannot be directly applied to signed graphs due to the lack of side information (e.g., node features and label information) in available real-world signed graph datasets. Random $\textit{DropEdge} $is one of the few $\textit{DA}$ methods that can be directly used for signed graph data augmentation, but its effectiveness is still unknown. In this paper, we first provide the generalization bound for the SGNN model and demonstrate from both experimental and theoretical perspectives that the random $\textit{DropEdge}$ cannot improve the performance of link sign prediction. Therefore, we propose a novel signed graph augmentation method, $\underline{S}$igned $\underline{G}$raph $\underline{A}$ugmentation framework (SGA). Specifically, SGA first integrates a structure augmentation module to detect candidate edges solely based on network information. Furthermore, SGA incorporates a novel strategy to select beneficial candidates. Finally, SGA introduces a novel data augmentation perspective to enhance the training process of SGNNs. Experiment results on six real-world datasets demonstrate that SGA effectively boosts the performance of diverse SGNN models, achieving improvements of up to 32.3\% in F1-micro for SGCN on the Slashdot dataset in the link sign prediction task.

Scaling hyperparameter optimisation to very large datasets remains an open problem in the Gaussian process community. This paper focuses on iterative methods, which use linear system solvers, like conjugate gradients, alternating projections or stochastic gradient descent, to construct an estimate of the marginal likelihood gradient. We discuss three key improvements which are applicable across solvers: (i) a pathwise gradient estimator, which reduces the required number of solver iterations and amortises the computational cost of making predictions, (ii) warm starting linear system solvers with the solution from the previous step, which leads to faster solver convergence at the cost of negligible bias, (iii) early stopping linear system solvers after a limited computational budget, which synergises with warm starting, allowing solver progress to accumulate over multiple marginal likelihood steps. These techniques provide speed-ups of up to $72\times$ when solving to tolerance, and decrease the average residual norm by up to $7\times$ when stopping early.

Finding specific preference-guided Pareto solutions that represent different trade-offs among multiple objectives is critical yet challenging in multi-objective problems. Existing methods are restrictive in preference definitions and/or their theoretical guarantees. In this work, we introduce a Flexible framEwork for pREfeRence-guided multi-Objective learning (**FERERO**) by casting it as a constrained vector optimization problem. Specifically, two types of preferences are incorporated into this formulation -- the *relative preference* defined by the partial ordering induced by a polyhedral cone, and the *absolute preference* defined by constraints that are linear functions of the objectives. To solve this problem, convergent algorithms are developed with both single-loop and stochastic variants. Notably, this is the *first single-loop primal algorithm* for constrained optimization to our knowledge. The proposed algorithms adaptively adjust to both constraint and objective values, eliminating the need to solve different subproblems at different stages of constraint satisfaction. Experiments on multiple benchmarks demonstrate the proposed method is very competitive in finding preference-guided optimal solutions. Code is available at https://github.com/lisha-chen/FERERO/.

Optogenetics is widely used to study the effects of neural circuit manipulation on behavior. However, the paucity of causal inference methodological work on this topic has resulted in analysis conventions that discard information, and constrain the scientific questions that can be posed. To fill this gap, we introduce a nonparametric causal inference framework for analyzing "closed-loop" designs, which use dynamic policies that assign treatment based on covariates. In this setting, standard methods can introduce bias and occlude causal effects. Building on the sequentially randomized experiments literature in causal inference, our approach extends history-restricted marginal structural models for dynamic regimes. In practice, our framework can identify a wide range of causal effects of optogenetics on trial-by-trial behavior, such as, fast/slow-acting, dose-response, additive/antagonistic, and floor/ceiling. Importantly, it does so without requiring negative controls, and can estimate how causal effect magnitudes evolve across time points. From another view, our work extends "excursion effect" methods---popular in the mobile health literature---to enable estimation of causal contrasts for treatment sequences greater than length one, in the presence of positivity violations. We derive rigorous statistical guarantees, enabling hypothesis testing of these causal effects. We demonstrate our approach on data from a recent study of dopaminergic activity on learning, and show how our method reveals relevant effects obscured in standard analyses.

Assessing action quality is both imperative and challenging due to its significant impact on the quality of AI-generated videos, further complicated by the inherently ambiguous nature of actions within AI-generated video (AIGV). Current action quality assessment (AQA) algorithms predominantly focus on actions from real specific scenarios and are pre-trained with normative action features, thus rendering them inapplicable in AIGVs. To address these problems, we construct GAIA, a Generic AI-generated Action dataset, by conducting a large-scale subjective evaluation from a novel causal reasoning-based perspective, resulting in 971,244 ratings among 9,180 video-action pairs. Based on GAIA, we evaluate a suite of popular text-to-video (T2V) models on their ability to generate visually rational actions, revealing their pros and cons on different categories of actions. We also extend GAIA as a testbed to benchmark the AQA capacity of existing automatic evaluation methods. Results show that traditional AQA methods, action-related metrics in recent T2V benchmarks, and mainstream video quality methods perform poorly with an average SRCC of 0.454, 0.191, and 0.519, respectively, indicating a sizable gap between current models and human action perception patterns in AIGVs. Our findings underscore the significance of action quality as a unique perspective for studying AIGVs and can catalyze progress towards methods with enhanced capacities for AQA in AIGVs.

We propose a novel method to efficiently learn significant Fourier feature pairs for maximizing the power of Hilbert-Schmidt Independence Criterion~(HSIC) based independence tests. We first reinterpret HSIC in the frequency domain, which reveals its limited discriminative power due to the inability to adapt to specific frequency-domain features under the current inflexible configuration. To remedy this shortcoming, we introduce a module of learnable Fourier features, thereby developing a new criterion. We then derive a finite sample estimate of the test power by modeling the behavior of the criterion, thus formulating an optimization objective for significant Fourier feature pairs learning. We show that this optimization objective can be computed in linear time (with respect to the sample size $n$), which ensures fast independence tests. We also prove the convergence property of the optimization objective and establish the consistency of the independence tests. Extensive empirical evaluation on both synthetic and real datasets validates our method's superiority in effectiveness and efficiency, particularly in handling high-dimensional data and dealing with large-scale scenarios.

Second-order optimizers, maintaining a matrix termed a preconditioner, are superior to first-order optimizers in both theory and practice. The states forming the preconditioner and its inverse root restrict the maximum size of models trained by second-order optimizers. To address this, compressing 32-bit optimizer states to lower bitwidths has shown promise in reducing memory usage. However, current approaches only pertain to first-order optimizers. In this paper, we propose the first 4-bit second-order optimizers, exemplified by 4-bit Shampoo, maintaining performance similar to that of 32-bit ones. We show that quantizing the eigenvector matrix of the preconditioner in 4-bit Shampoo is remarkably better than quantizing the preconditioner itself both theoretically and experimentally. By rectifying the orthogonality of the quantized eigenvector matrix, we enhance the approximation of the preconditioner's eigenvector matrix, which also benefits the computation of its inverse 4-th root. Besides, we find that linear square quantization slightly outperforms dynamic tree quantization when quantizing second-order optimizer states. Evaluation on various networks for image classification and natural language modeling demonstrates that our 4-bit Shampoo achieves comparable performance to its 32-bit counterpart while being more memory-efficient.

Persistent homology is a popular computational tool for analyzing the topology of point clouds, such as the presence of loops or voids. However, many real-world datasets with low intrinsic dimensionality reside in an ambient space of much higher dimensionality. We show that in this case traditional persistent homology becomes very sensitive to noise and fails to detect the correct topology. The same holds true for existing refinements of persistent homology. As a remedy, we find that spectral distances on the k-nearest-neighbor graph of the data, such as diffusion distance and effective resistance, allow to detect the correct topology even in the presence of high-dimensional noise. Moreover, we derive a novel closed-form formula for effective resistance, and describe its relation to diffusion distances. Finally, we apply these methods to high-dimensional single-cell RNA-sequencing data and show that spectral distances allow robust detection of cell cycle loops.

Continual learning requires to overcome catastrophic forgetting when training a single model on a sequence of tasks. Recent top-performing approaches are prompt-based methods that utilize a set of learnable parameters (i.e., prompts) to encode task knowledge, from which appropriate ones are selected to guide the fixed pre-trained model in generating features tailored to a certain task. However, existing methods rely on predicting prompt identities for prompt selection, where the identity prediction process cannot be optimized with task loss. This limitation leads to sub-optimal prompt selection and inadequate adaptation of pre-trained features for a specific task. Previous efforts have tried to address this by directly generating prompts from input queries instead of selecting from a set of candidates. However, these prompts are continuous, which lack sufficient abstraction for task knowledge representation, making them less effective for continual learning. To address these challenges, we propose VQ-Prompt, a prompt-based continual learning method that incorporates Vector Quantization (VQ) into end-to-end training of a set of discrete prompts. In this way, VQ-Prompt can optimize the prompt selection process with task loss and meanwhile achieve effective abstraction of task knowledge for continual learning. Extensive experiments show that VQ-Prompt outperforms state-of-the-art continual learning methods across a variety of benchmarks under the challenging class-incremental setting.

Implicit neural representations (INRs) have demonstrated success in a variety of applications, including inverse problems and neural rendering. An INR is typically trained to capture one signal of interest, resulting in learned neural features that are highly attuned to that signal. Assumed to be less generalizable, we explore the aspect of transferability of such learned neural features for fitting similar signals. We introduce a new INR training framework, STRAINER that learns transferable features for fitting INRs to new signals from a given distribution, faster and with better reconstruction quality. Owing to the sequential layer-wise affine operations in an INR, we propose to learn transferable representations by sharing initial encoder layers across multiple INRs with independent decoder layers. At test time, the learned encoder representations are transferred as initialization for an otherwise randomly initialized INR. We find STRAINER to yield extremely powerful initialization for fitting images from the same domain and allow for a ≈ +10dB gain in signal quality early on compared to an untrained INR itself. STRAINER also provides a simple way to encode data-driven priors in INRs. We evaluate STRAINER on multiple in-domain and out-of-domain signal fitting tasks and inverse problems and further provide detailed analysis and discussion on the transferability of STRAINER’s features.

Detecting out-of-distribution (OOD) samples is important for deploying machine learning models in safety-critical applications such as autonomous driving and robot-assisted surgery. Existing research has mainly focused on unimodal scenarios on image data. However, real-world applications are inherently multimodal, which makes it essential to leverage information from multiple modalities to enhance the efficacy of OOD detection. To establish a foundation for more realistic Multimodal OOD Detection, we introduce the first-of-its-kind benchmark, MultiOOD, characterized by diverse dataset sizes and varying modality combinations. We first evaluate existing unimodal OOD detection algorithms on MultiOOD, observing that the mere inclusion of additional modalities yields substantial improvements. This underscores the importance of utilizing multiple modalities for OOD detection. Based on the observation of Modality Prediction Discrepancy between in-distribution (ID) and OOD data, and its strong correlation with OOD performance, we propose the Agree-to-Disagree (A2D) algorithm to encourage such discrepancy during training. Moreover, we introduce a novel outlier synthesis method, NP-Mix, which explores broader feature spaces by leveraging the information from nearest neighbor classes and complements A2D to strengthen OOD detection performance. Extensive experiments on MultiOOD demonstrate that training with A2D and NP-Mix improves existing OOD detection algorithms by a large margin. To support accessibility and reproducibility, our source code and MultiOOD benchmark are available at https://github.com/donghao51/MultiOOD.

Matrix factorization models have been extensively studied as a valuable test-bed for understanding the implicit biases of overparameterized models. Although both low nuclear norm and low rank regularization have been studied for these models, a unified understanding of when, how, and why they achieve different implicit regularization effects remains elusive. In this work, we systematically investigate the implicit regularization of matrix factorization for solving matrix completion problems. We empirically discover that the connectivity of observed data plays a key role in the implicit bias, with a transition from low nuclear norm to low rank as data shifts from disconnected to connected with increased observations. We identify a hierarchy of intrinsic invariant manifolds in the loss landscape that guide the training trajectory to evolve from low-rank to higher-rank solutions. Based on this finding, we theoretically characterize the training trajectory as following the hierarchical invariant manifold traversal process, generalizing the characterization of Li et al.(2020) to include the disconnected case. Furthermore, we establish conditions that guarantee minimum nuclear norm, closely aligning with our experimental findings, and we provide a dynamics characterization condition for ensuring minimum rank. Our work reveals the intricate interplay between data connectivity, training dynamics, and implicit regularization in matrix factorization models.

Solving constrained nonlinear programs (NLPs) is of great importance in various domains such as power systems, robotics, and wireless communication networks. One widely used approach for addressing NLPs is the interior point method (IPM). The most computationally expensive procedure in IPMs is to solve systems of linear equations via matrix factorization. Recently, machine learning techniques have been adopted to expedite classic optimization algorithms. In this work, we propose using Long Short-Term Memory (LSTM) neural networks to approximate the solution of linear systems and integrate this approximating step into an IPM. The resulting approximate NLP solution is then utilized to warm-start an interior point solver. Experiments on various types of NLPs, including Quadratic Programs and Quadratically Constrained Quadratic Programs, show that our approach can significantly accelerate NLP solving, reducing iterations by up to 60% and solution time by up to 70% compared to the default solver.

Coded computing has emerged as a promising framework for tackling significant challenges in large-scale distributed computing, including the presence of slow, faulty, or compromised servers. In this approach, each worker node processes a combination of the data, rather than the raw data itself. The final result then is decoded from the collective outputs of the worker nodes. However, there is a significant gap between current coded computing approaches and the broader landscape of general distributed computing, particularly when it comes to machine learning workloads. To bridge this gap, we propose a novel foundation for coded computing, integrating the principles of learning theory, and developing a framework that seamlessly adapts with machine learning applications. In this framework, the objective is to find the encoder and decoder functions that minimize the loss function, defined as the mean squared error between the estimated and true values. Facilitating the search for the optimum decoding and functions, we show that the loss function can be upper-bounded by the summation of two terms: the generalization error of the decoding function and the training error of the encoding function. Focusing on the second-order Sobolev space, we then derive the optimal encoder and decoder. We show that in the proposed solution, the mean squared error of the estimation decays with the rate of $\mathcal{O}(S^3 N^{-3})$ and $\mathcal{O}(S^{\frac{8}{5}}N^{\frac{-3}{5}})$ in noiseless and noisy computation settings, respectively, where $N$ is the number of worker nodes with at most $S$ slow servers (stragglers). Finally, we evaluate the proposed scheme on inference tasks for various machine learning models and demonstrate that the proposed framework outperforms the state-of-the-art in terms of accuracy and rate of convergence.