NeurIPS 2024 论文列表

Diffusion models have become the most popular approach to deep generative modeling of images, largely due to their empirical performance and reliability. From a theoretical standpoint, a number of recent works [CCL+23, CCSW22, BBDD24] have studied the iteration complexity of sampling, assuming access to an accurate diffusion model. In this work, we focus on understanding the *sample complexity* of training such a model; how many samples are needed to learn an accurate diffusion model using a sufficiently expressive neural network? Prior work [BMR20] showed bounds polynomial in the dimension, desired Total Variation error, and Wasserstein error. We show an *exponential improvement* in the dependence on Wasserstein error and depth, along with improved dependencies on other relevant parameters.

Mean-field Langevin dynamics (MLFD) is a class of interacting particle methods that tackle convex optimization over probability measures on a manifold, which are scalable, versatile, and enjoy computational guarantees. However, some important problems -- such as risk minimization for infinite width two-layer neural networks, or sparse deconvolution -- are originally defined over the set of signed, rather than probability, measures. In this paper, we investigate how to extend the MFLD framework to convex optimization problems over signed measures. Among two known reductions from signed to probability measures -- the lifting and the bilevel approaches -- we show that the bilevel reduction leads to stronger guarantees and faster rates (at the price of a higher per-iteration complexity). In particular, we investigate the convergence rate of MFLD applied to the bilevel reduction in the low-noise regime and obtain two results. First, this dynamics is amenable to an annealing schedule, adapted from [Suzuki et al., 2023], that results in polynomial convergence rates to a fixed multiplicative accuracy. Second, we investigate the problem of learning a single neuron with the bilevel approach and obtain local exponential convergence rates that depend polynomially on the dimension and noise level (to compare with the exponential dependence that would result from prior analyses).

This paper makes a step towards modeling the modality discrepancy in the cross-spectral re-identification task. Based on the Lambertain model, we observe that the non-linear modality discrepancy mainly comes from diverse linear transformations acting on the surface of different materials. From this view, we unify all data augmentation strategies for cross-spectral re-identification as mimicking such local linear transformations and categorize them into moderate transformation and radical transformation. By extending the observation, we propose a Random Linear Enhancement (RLE) strategy which includes Moderate Random Linear Enhancement (MRLE) and Radical Random Linear Enhancement (RRLE) to push the boundaries of both types of transformation. Moderate Random Linear Enhancement is designed to provide diverse image transformations that satisfy the original linear correlations under constrained conditions, whereas Radical Random Linear Enhancement seeks to generate local linear transformations directly without relying on external information. The experimental results not only demonstrate the superiority and effectiveness of RLE but also confirm its great potential as a general-purpose data augmentation for cross-spectral re-identification.

The cost of ranking becomes significant in the new stage of deep learning. We propose ST$_k$, a fully differentiable module with a single trainable parameter, designed to solve the Top-k problem without requiring additional time or GPU memory. Due to its fully differentiable nature, ST$_k$ can be embedded end-to-end into neural networks and optimize the Top-k problems within a unified computational graph. We apply ST$_k$ to the Average Top-k Loss (AT$_k$), which inherently faces a Top-k problem. The proposed ST$_k$ Loss outperforms AT$_k$ Loss and achieves the best average performance on multiple benchmarks, with the lowest standard deviation. With the assistance of ST$_k$ Loss, we surpass the state-of-the-art (SOTA) on both CIFAR-100-LT and Places-LT leaderboards.

Performing eigendecomposition during neural network training is essential for tasks such as dimensionality reduction, network compression, image denoising, and graph learning. However, eigendecomposition is computationally expensive as it is orders of magnitude slower than other neural network operations. To address this challenge, we propose a novel approach called "amortized eigendecomposition" that relaxes the exact eigendecomposition by introducing an additional loss term called eigen loss. Our approach offers significant speed improvements by replacing the computationally expensive eigendecomposition with a more affordable QR decomposition at each iteration. Theoretical analysis guarantees that the desired eigenpair is attained as optima of the eigen loss. Empirical studies on nuclear norm regularization, latent-space principal component analysis, and graphs adversarial learning demonstrate significant improvements in training efficiency while producing nearly identical outcomes to conventional approaches. This novel methodology promises to integrate eigendecomposition efficiently into neural network training, overcoming existing computational challenges and unlocking new potential for advanced deep learning applications.

Alignment techniques are critical in ensuring that large language models (LLMs) output helpful and harmless content by enforcing the LLM-generated content to align with human preferences. However, the existence of noisy preferences (NPs), where the responses are mistakenly labelled as chosen or rejected, could spoil the alignment, thus making the LLMs generate useless and even malicious content. Existing methods mitigate the issue of NPs from the loss perspective by adjusting the alignment loss based on a clean validation dataset. Orthogonal to these loss-oriented methods, we propose perplexity-aware correction (PerpCorrect) from the data perspective for robust alignment which detects and corrects NPs based on the differences between the perplexity of the chosen and rejected responses (dubbed as PPLDiff). Intuitively, a higher PPLDiff indicates a higher probability of the NP because a rejected/chosen response which is mistakenly labelled as chosen/rejected is less preferable to be generated by an aligned LLM, thus having a higher/lower perplexity. PerpCorrect works in three steps: (1) PerpCorrect aligns a surrogate LLM using the clean validation data to make the PPLDiff able to distinguish clean preferences (CPs) and NPs. (2) PerpCorrect further aligns the surrogate LLM by incorporating the reliable clean training data whose PPLDiff is extremely small and reliable noisy training data whose PPLDiff is extremely large after correction to boost the discriminatory power. (3) Detecting and correcting NPs according to the PPLDiff obtained by the aligned surrogate LLM to obtain a denoised training dataset for robust alignment. Comprehensive experiments validate that our proposed PerpCorrect can achieve state-of-the-art alignment performance under NPs. Notably, PerpCorrect demonstrates practical utility by requiring only a modest amount of validation data and being compatible with various alignment techniques. Our code is available at [PerpCorrect](https://github.com/luxinyayaya/PerpCorrect).

Graph neural networks (GNNs) have recently emerged as powerful tools for addressing complex optimization problems. It has been theoretically demonstrated that GNNs can universally approximate the solution mapping functions of linear programming (LP) problems. However, these theoretical results typically require GNNs to have large parameter sizes. Conversely, empirical experiments have shown that relatively small GNNs can solve LPs effectively, revealing a significant discrepancy between theoretical predictions and practical observations. In this work, we aim to bridge this gap by providing a theoretical foundation for the effectiveness of small-size GNNs. We prove that polylogarithmic-depth, constant-width GNNs are sufficient to solve packing and covering LPs, two widely used classes of LPs. Our proof leverages the capability of GNNs to simulate a variant of the gradient descent algorithm on a carefully selected potential function. Additionally, we introduce a new GNN architecture, termed GD-Net. Experimental results demonstrate that GD-Net significantly outperforms conventional GNN structures while using fewer parameters.

We introduce DynaMITE-RL, a meta-reinforcement learning (meta-RL) approach to approximate inference in environments where the latent state evolves at varying rates. We model episode sessions---parts of the episode where the latent state is fixed---and propose three key modifications to existing meta-RL methods: (i) consistency of latent information within sessions, (ii) session masking, and (iii) prior latent conditioning. We demonstrate the importance of these modifications in various domains, ranging from discrete Gridworld environments to continuous-control and simulated robot assistive tasks, illustrating the efficacy of DynaMITE-RL over state-of-the-art baselines in both online and offline RL settings.

As illustrated by the success of integer linear programming, linear integer arithmetics is a powerful tool for modelling combinatorial problems. Furthermore, the probabilistic extension of linear programming has been used to formulate problems in neurosymbolic AI. However, two key problems persist that prevent the adoption of neurosymbolic techniques beyond toy problems. First, probabilistic inference is inherently hard, #P-hard to be precise. Second, the discrete nature of integers renders the construction of meaningful gradients challenging, which is problematic for learning. In order to mitigate these issues, we formulate linear arithmetics over integer-valued random variables as tensor manipulations that can be implemented in a straightforward fashion using modern deep learning libraries. At the core of our formulation lies the observation that the addition of two integer-valued random variables can be performed by adapting the fast Fourier transform to probabilities in the log-domain. By relying on tensor operations we obtain a differentiable data structure, which unlocks, virtually for free, gradient-based learning. In our experimental validation we show that tensorising probabilistic integer linear arithmetics and leveraging the fast Fourier transform allows us to push the state of the art by several orders of magnitude in terms of inference and learning times.

Current approaches to model-based offline reinforcement learning often incorporate uncertainty-based reward penalization to address the distributional shift problem. These approaches, commonly known as pessimistic value iteration, use Monte Carlo sampling to estimate the Bellman target to perform temporal difference-based policy evaluation. We find out that the randomness caused by this sampling step significantly delays convergence. We present a theoretical result demonstrating the strong dependency of suboptimality on the number of Monte Carlo samples taken per Bellman target calculation. Our main contribution is a deterministic approximation to the Bellman target that uses progressive moment matching, a method developed originally for deterministic variational inference. The resulting algorithm, which we call Moment Matching Offline Model-Based Policy Optimization (MOMBO), propagates the uncertainty of the next state through a nonlinear Q-network in a deterministic fashion by approximating the distributions of hidden layer activations by a normal distribution. We show that it is possible to provide tighter guarantees for the suboptimality of MOMBO than the existing Monte Carlo sampling approaches. We also observe MOMBO to converge faster than these approaches in a large set of benchmark tasks.

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.

Neural image compression has made a great deal of progress. State-of-the-art models are based on variational autoencoders and are outperforming classical models. Neural compression models learn to encode an image into a quantized latent representation that can be efficiently sent to the decoder, which decodes the quantized latent into a reconstructed image. While these models have proven successful in practice, they lead to sub-optimal results due to imperfect optimization and limitations in the encoder and decoder capacity. Recent work shows how to use stochastic Gumbel annealing (SGA) to refine the latents of pre-trained neural image compression models. We extend this idea by introducing SGA+, which contains three different methods that build upon SGA. We show how our method improves the overall compression performance in terms of the R-D trade-off, compared to its predecessors. Additionally, we show how refinement of the latents with our best-performing method improves the compression performance on both the Tecnick and CLIC dataset. Our method is deployed for a pre-trained hyperprior and for a more flexible model. Further, we give a detailed analysis of our proposed methods and show that they are less sensitive to hyperparameter choices. Finally, we show how each method can be extended to three- instead of two-class rounding.

The recent introduction of Diffusion Transformers (DiTs) has demonstrated exceptional capabilities in image generation by using a different backbone architecture, departing from traditional U-Nets and embracing the scalable nature of transformers. Despite their advanced capabilities, the wide deployment of DiTs, particularly for real-time applications, is currently hampered by considerable computational demands at the inference stage. Post-training Quantization (PTQ) has emerged as a fast and data-efficient solution that can significantly reduce computation and memory footprint by using low-bit weights and activations. However, its applicability to DiTs has not yet been explored and faces non-trivial difficulties due to the unique design of DiTs. In this paper, we propose PTQ4DiT, a specifically designed PTQ method for DiTs. We discover two primary quantization challenges inherent in DiTs, notably the presence of salient channels with extreme magnitudes and the temporal variability in distributions of salient activation over multiple timesteps. To tackle these challenges, we propose Channel-wise Salience Balancing (CSB) and Spearmen's $\rho$-guided Salience Calibration (SSC). CSB leverages the complementarity property of channel magnitudes to redistribute the extremes, alleviating quantization errors for both activations and weights. SSC extends this approach by dynamically adjusting the balanced salience to capture the temporal variations in activation. Additionally, to eliminate extra computational costs caused by PTQ4DiT during inference, we design an offline re-parameterization strategy for DiTs. Experiments demonstrate that our PTQ4DiT successfully quantizes DiTs to 8-bit precision (W8A8) while preserving comparable generation ability and further enables effective quantization to 4-bit weight precision (W4A8) for the first time.

Neuro-symbolic neural networks have been extensively studied to integrate symbolic operations with neural networks, thereby improving systematic generalization. Specifically, Tensor Product Representation (TPR) framework enables neural networks to perform differentiable symbolic operations by encoding the symbolic structure of data within vector spaces. However, TPR-based neural networks often struggle to decompose unseen data into structured TPR representations, undermining their symbolic operations. To address this decomposition problem, we propose a Discrete Dictionary-based Decomposition (D3) layer designed to enhance the decomposition capabilities of TPR-based models. D3 employs discrete, learnable key-value dictionaries trained to capture symbolic features essential for decomposition operations. It leverages the prior knowledge acquired during training to generate structured TPR representations by mapping input data to pre-learned symbolic features within these dictionaries. D3 is a straightforward drop-in layer that can be seamlessly integrated into any TPR-based model without modifications. Our experimental results demonstrate that D3 significantly improves the systematic generalization of various TPR-based models while requiring fewer additional parameters. Notably, D3 outperforms baseline models on the synthetic task that demands the systematic decomposition of unseen combinatorial data.

``Distribution shift'' is the primary obstacle to the success of offline reinforcement learning. As a learning policy may take actions beyond the knowledge of the behavior policy (referred to as Out-of-Distribution (OOD) actions), the Q-values of these OOD actions can be easily overestimated. Consequently, the learning policy becomes biasedly optimized using the incorrect recovered Q-value function. One commonly used idea to avoid the overestimation of Q-value is to make a pessimistic adjustment. Our key idea is to penalize the Q-values of OOD actions that correspond to high uncertainty. In this work, we propose Q-Distribution guided Q-learning (QDQ) which pessimistic Q-value on OOD regions based on uncertainty estimation. The uncertainty measure is based on the conditional Q-value distribution, which is learned via a high-fidelity and efficient consistency model. On the other hand, to avoid the overly conservative problem, we introduce an uncertainty-aware optimization objective to update the Q-value function. The proposed QDQ demonstrates solid theoretical guarantees for the accuracy of Q-value distribution learning and uncertainty measurement, as well as the performance of the learning policy. QDQ consistently exhibits strong performance in the D4RL benchmark and shows significant improvements for many tasks. Our code can be found at <code link>.

Class-agnostic object detection (OD) can be a cornerstone or a bottleneck for many downstream vision tasks. Despite considerable advancements in bottom-up and multi-object discovery methods that leverage basic visual cues to identify salient objects, consistently achieving a high recall rate remains difficult due to the diversity of object types and their contextual complexity. In this work, we investigate using vision-language models (VLMs) to enhance object detection via a self-supervised prompt learning strategy. Our initial findings indicate that manually crafted text queries often result in undetected objects, primarily because detection confidence diminishes when the query words exhibit semantic overlap. To address this, we propose a Dispersing Prompt Expansion (DiPEx) approach. DiPEx progressively learns to expand a set of distinct, non-overlapping hyperspherical prompts to enhance recall rates, thereby improving performance in downstream tasks such as out-of-distribution OD. Specifically, DiPEx initiates the process by self-training generic parent prompts and selecting the one with the highest semantic uncertainty for further expansion. The resulting child prompts are expected to inherit semantics from their parent prompts while capturing more fine-grained semantics. We apply dispersion losses to ensure high inter-class discrepancy among child prompts while preserving semantic consistency between parent-child prompt pairs. To prevent excessive growth of the prompt sets, we utilize the maximum angular coverage (MAC) of the semantic space as a criterion for early termination. We demonstrate the effectiveness of DiPEx through extensive class-agnostic OD and OOD-OD experiments on MS-COCO and LVIS, surpassing other prompting methods by up to 20.1% in AR and achieving a 21.3% AP improvement over SAM.

Given an unconditional diffusion model and a predictor for a target property of interest (e.g., a classifier), the goal of training-free guidance is to generate samples with desirable target properties without additional training. Existing methods, though effective in various individual applications, often lack theoretical grounding and rigorous testing on extensive benchmarks. As a result, they could even fail on simple tasks, and applying them to a new problem becomes unavoidably difficult. This paper introduces a novel algorithmic framework encompassing existing methods as special cases, unifying the study of training-free guidance into the analysis of an algorithm-agnostic design space. Via theoretical and empirical investigation, we propose an efficient and effective hyper-parameter searching strategy that can be readily applied to any downstream task. We systematically benchmark across 7 diffusion models on 16 tasks with 40 targets, and improve performance by 8.5% on average. Our framework and benchmark offer a solid foundation for conditional generation in a training-free manner.

Generative Flow Networks (GFlowNets) are amortized samplers of unnormalized distributions over compositional objects with applications to causal discovery, NLP, and drug design. Recently, it was shown that GFlowNets can be framed as a hierarchical variational inference (HVI) method for discrete distributions. Despite this equivalence, attempts to train GFlowNets using traditional divergence measures as learning objectives were unsuccessful. Instead, current approaches for training these models rely on minimizing the log-squared difference between a proposal (forward policy) and a target (backward policy) distributions. In this work, we first formally extend the relationship between GFlowNets and HVI to distributions on arbitrary measurable topological spaces. Then, we empirically show that the ineffectiveness of divergence-based learning of GFlowNets is due to large gradient variance of the corresponding stochastic objectives. To address this issue, we devise a collection of provably variance-reducing control variates for gradient estimation based on the REINFORCE leave-one-out estimator. Our experimental results suggest that the resulting algorithms often accelerate training convergence when compared against previous approaches. All in all, our work contributes by narrowing the gap between GFlowNet training and HVI, paving the way for algorithmic advancements inspired by the divergence minimization viewpoint.

Each voxel in a diffusion MRI (dMRI) image contains a spherical signal corresponding to the direction and strength of water diffusion in the brain. This paper advances the analysis of such spatio-spherical data by developing convolutional network layers that are equivariant to the $\mathbf{E(3) \times SO(3)}$ group and account for the physical symmetries of dMRI including rotations, translations, and reflections of space alongside voxel-wise rotations. Further, neuronal fibers are typically antipodally symmetric, a fact we leverage to construct highly efficient spatio-*hemispherical* graph convolutions to accelerate the analysis of high-dimensional dMRI data. In the context of sparse spherical fiber deconvolution to recover white matter microstructure, our proposed equivariant network layers yield substantial performance and efficiency gains, leading to better and more practical resolution of crossing neuronal fibers and fiber tractography. These gains are experimentally consistent across both simulation and in vivo human datasets.