NeurIPS 2024 Papers

Conventional wisdom holds that autoregressive models for image generation are typically accompanied by vector-quantized tokens. We observe that while a discrete-valued space can facilitate representing a categorical distribution, it is not a necessity for autoregressive modeling. In this work, we propose to model the per-token probability distribution using a diffusion procedure, which allows us to apply autoregressive models in a continuous-valued space. Rather than using categorical cross-entropy loss, we define a Diffusion Loss function to model the per-token probability. This approach eliminates the need for discrete-valued tokenizers. We evaluate its effectiveness across a wide range of cases, including standard autoregressive models and generalized masked autoregressive (MAR) variants. By removing vector quantization, our image generator achieves strong results while enjoying the speed advantage of sequence modeling. We hope this work will motivate the use of autoregressive generation in other continuous-valued domains and applications. Code is available at [https://github.com/LTH14/mar](https://github.com/LTH14/mar).

Training neural networks on NP-complete problems typically demands very large amounts of training data and often needs to be coupled with computationally expensive symbolic verifiers to ensure output correctness. In this paper, we present NeuRes, a neuro-symbolic approach to address both challenges for propositional satisfiability, being the quintessential NP-complete problem. By combining certificate-driven training and expert iteration, our model learns better representations than models trained for classification only, with a much higher data efficiency -- requiring orders of magnitude less training data. NeuRes employs propositional resolution as a proof system to generate proofs of unsatisfiability and to accelerate the process of finding satisfying truth assignments, exploring both possibilities in parallel. To realize this, we propose an attention-based architecture that autoregressively selects pairs of clauses from a dynamic formula embedding to derive new clauses. Furthermore, we employ expert iteration whereby model-generated proofs progressively replace longer teacher proofs as the new ground truth. This enables our model to reduce a dataset of proofs generated by an advanced solver by $\sim$$32$% after training on it with no extra guidance. This shows that NeuRes is not limited by the optimality of the teacher algorithm owing to its self-improving workflow. We show that our model achieves far better performance than NeuroSAT in terms of both correctly classified and proven instances.

Domain generalization methods aim to learn transferable knowledge from source domains that can generalize well to unseen target domains. Recent studies show that neural networks frequently suffer from a simplicity-biased learning behavior which leads to over-reliance on specific frequency sets, namely as frequency shortcuts, instead of semantic information, resulting in poor generalization performance. Despite previous data augmentation techniques successfully enhancing generalization performances, they intend to apply more frequency shortcuts, thereby causing hallucinations of generalization improvement. In this paper, we aim to prevent such learning behavior of applying frequency shortcuts from a data-driven perspective. Given the theoretical justification of models' biased learning behavior on different spatial frequency components, which is based on the dataset frequency properties, we argue that the learning behavior on various frequency components could be manipulated by changing the dataset statistical structure in the Fourier domain. Intuitively, as frequency shortcuts are hidden in the dominant and highly dependent frequencies of dataset structure, dynamically perturbating the over-reliance frequency components could prevent the application of frequency shortcuts. To this end, we propose two effective data augmentation modules designed to collaboratively and adaptively adjust the frequency characteristic of the dataset, aiming to dynamically influence the learning behavior of the model and ultimately serving as a strategy to mitigate shortcut learning. Our code will be made publicly available.

Neural operators effectively solve PDE problems from data without knowing the explicit equations, which learn the map from the input sequences of observed samples to the predicted values. Most existing works build the model in the original geometric space, leading to high computational costs when the number of sample points is large. We present the Latent Neural Operator (LNO) solving PDEs in the latent space. In particular, we first propose Physics-Cross-Attention (PhCA) transforming representation from the geometric space to the latent space, then learn the operator in the latent space, and finally recover the real-world geometric space via the inverse PhCA map. Our model retains flexibility that can decode values in any position not limited to locations defined in the training set, and therefore can naturally perform interpolation and extrapolation tasks particularly useful for inverse problems. Moreover, the proposed LNO improves both prediction accuracy and computational efficiency. Experiments show that LNO reduces the GPU memory by 50%, speeds up training 1.8 times, and reaches state-of-the-art accuracy on four out of six benchmarks for forward problems and a benchmark for inverse problem. Code is available at https://github.com/L-I-M-I-T/LatentNeuralOperator.

Out-of-distribution (OOD) detection is critical when deploying machine learning models in the real world. Outlier exposure methods, which incorporate auxiliary outlier data in the training process, can drastically improve OOD detection performance compared to approaches without advanced training strategies. We introduce Hopfield Boosting, a boosting approach, which leverages modern Hopfield energy to sharpen the decision boundary between the in-distribution and OOD data. Hopfield Boosting encourages the model to focus on hard-to-distinguish auxiliary outlier examples that lie close to the decision boundary between in-distribution and auxiliary outlier data. Our method achieves a new state-of-the-art in OOD detection with outlier exposure, improving the FPR95 from 2.28 to 0.92 on CIFAR-10, from 11.76 to 7.94 on CIFAR-100, and from 50.74 to 36.60 on ImageNet-1K.

Graph neural networks (GNNs) have become the dominant solution for learning on graphs, the typical non-Euclidean structures. Conventional GNNs, constructed with the Artificial Neuron Network (ANN), have achieved impressive performance at the cost of high computation and energy consumption. In parallel, spiking GNNs with brain-like spiking neurons are drawing increasing research attention owing to the energy efficiency. So far, existing spiking GNNs consider graphs in Euclidean space, ignoring the structural geometry, and suffer from the high latency issue due to Back-Propagation-Through-Time (BPTT) with the surrogate gradient. In light of the aforementioned issues, we are devoted to exploring spiking GNN on Riemannian manifolds, and present a Manifold-valued Spiking GNN (MSG). In particular, we design a new spiking neuron on geodesically complete manifolds with the diffeomorphism, so that BPTT regarding the spikes is replaced by the proposed differentiation via manifold. Theoretically, we show that MSG approximates a solver of the manifold ordinary differential equation. Extensive experiments on common graphs show the proposed MSG achieves superior performance to previous spiking GNNs and energy efficiency to conventional GNNs.

Data-driven decision-making processes increasingly utilize end-to-end learnable deep neural networks to render final decisions. Sometimes, the output of the forward functions in certain layers is determined by the solutions to mathematical optimization problems, leading to the emergence of differentiable optimization layers that permit gradient back-propagation. However, real-world scenarios often involve large-scale datasets and numerous constraints, presenting significant challenges. Current methods for differentiating optimization problems typically rely on implicit differentiation, which necessitates costly computations on the Jacobian matrices, resulting in low efficiency. In this paper, we introduce BPQP, a differentiable convex optimization framework designed for efficient end-to-end learning. To enhance efficiency, we reformulate the backward pass as a simplified and decoupled quadratic programming problem by leveraging the structural properties of the Karush–Kuhn–Tucker (KKT) matrix. This reformulation enables the use of first-order optimization algorithms in calculating the backward pass gradients, allowing our framework to potentially utilize any state-of-the-art solver. As solver technologies evolve, BPQP can continuously adapt and improve its efficiency. Extensive experiments on both simulated and real-world datasets demonstrate that BPQP achieves a significant improvement in efficiency—typically an order of magnitude faster in overall execution time compared to other differentiable optimization layers. Our results not only highlight the efficiency gains of BPQP but also underscore its superiority over differential optimization layer baselines.

Despite the importance of shape perception in human vision, early neural image classifiers relied less on shape information for object recognition than other (often spurious) features. While recent research suggests that current large Vision-Language Models (VLMs) exhibit more reliance on shape, we find them to still be seriously limited in this regard. To quantify such limitations, we introduce IllusionBench, a dataset that challenges current cutting-edge VLMs to decipher shape information when the shape is represented by an arrangement of visual elements in a scene. Our extensive evaluations reveal that, while these shapes are easily detectable by human annotators, current VLMs struggle to recognize them, indicating important avenues for future work in developing more robust visual perception systems. The full dataset and codebase are available at: https://arshiahemmat.github.io/illusionbench/

Large language models (LLMs) need knowledge updates to meet the ever-growing world facts and correct the hallucinated responses, facilitating the methods of lifelong model editing. Where the updated knowledge resides in memories is a fundamental question for model editing. In this paper, we find that editing either long-term memory (direct model parameters) or working memory (non-parametric knowledge of neural network activations/representations by retrieval) will result in an impossible triangle---reliability, generalization, and locality can not be realized together in the lifelong editing settings. For long-term memory, directly editing the parameters will cause conflicts with irrelevant pretrained knowledge or previous edits (poor reliability and locality). For working memory, retrieval-based activations can hardly make the model understand the edits and generalize (poor generalization). Therefore, we propose WISE to bridge the gap between memories. In WISE, we design a dual parametric memory scheme, which consists of the main memory for the pretrained knowledge and a side memory for the edited knowledge. We only edit the knowledge in the side memory and train a router to decide which memory to go through when given a query. For continual editing, we devise a knowledge-sharding mechanism where different sets of edits reside in distinct subspaces of parameters, and are subsequently merged into a shared memory without conflicts. Extensive experiments show that WISE can outperform previous model editing methods and overcome the impossible triangle under lifelong model editing of question answering, hallucination, and out-of-distribution settings across trending LLM architectures, e.g., GPT, LLaMA, and Mistral.

Presently, pseudo-labeling stands as a prevailing approach in cross-domain semantic segmentation, enhancing model efficacy by training with pixels assigned with reliable pseudo-labels. However, we identify two key limitations within this paradigm: (1) under relatively severe domain shifts, most selected reliable pixels appear speckled and remain noisy. (2) when dealing with wild data, some pixels belonging to the open-set class may exhibit high confidence and also appear speckled. These two points make it difficult for the pixel-level selection mechanism to identify and correct these speckled close- and open-set noises. As a result, error accumulation is continuously introduced into subsequent self-training, leading to inefficiencies in pseudo-labeling. To address these limitations, we propose a novel method called Semantic Connectivity-driven Pseudo-labeling (SeCo). SeCo formulates pseudo-labels at the connectivity level, which makes it easier to locate and correct closed and open set noise. Specifically, SeCo comprises two key components: Pixel Semantic Aggregation (PSA) and Semantic Connectivity Correction (SCC). Initially, PSA categorizes semantics into ``stuff'' and ``things'' categories and aggregates speckled pseudo-labels into semantic connectivity through efficient interaction with the Segment Anything Model (SAM). This enables us not only to obtain accurate boundaries but also simplifies noise localization. Subsequently, SCC introduces a simple connectivity classification task, which enables us to locate and correct connectivity noise with the guidance of loss distribution. Extensive experiments demonstrate that SeCo can be flexibly applied to various cross-domain semantic segmentation tasks, \textit{i.e.} domain generalization and domain adaptation, even including source-free, and black-box domain adaptation, significantly improving the performance of existing state-of-the-art methods. The code is provided in the appendix and will be open-source.

Model editing aims to data-efficiently correct predictive errors of large pre-trained models while ensuring generalization to neighboring failures and locality to minimize unintended effects on unrelated examples. While significant progress has been made in editing Transformer-based large language models, effective strategies for editing vision Transformers (ViTs) in computer vision remain largely untapped. In this paper, we take initial steps towards correcting predictive errors of ViTs, particularly those arising from subpopulation shifts. Taking a locate-then-edit approach, we first address the ``where-to-edit`` challenge by meta-learning a hypernetwork on CutMix-augmented data generated for editing reliability. This trained hypernetwork produces generalizable binary masks that identify a sparse subset of structured model parameters, responsive to real-world failure samples. Afterward, we solve the ``how-to-edit`` problem by simply fine-tuning the identified parameters using a variant of gradient descent to achieve successful edits. To validate our method, we construct an editing benchmark that introduces subpopulation shifts towards natural underrepresented images and AI-generated images, thereby revealing the limitations of pre-trained ViTs for object recognition. Our approach not only achieves superior performance on the proposed benchmark but also allows for adjustable trade-offs between generalization and locality. Our code is available at https://github.com/hustyyq/Where-to-Edit.

Recent work demonstrates that, post-training large language models with open-domain instruction following data have achieved colossal success. Simultaneously, human Chatbot Arena has emerged as one of the most reasonable benchmarks for model evaluation and developmental guidance. However, the processes of manually curating high-quality training data and utilizing online human evaluation platforms are both expensive and limited. To mitigate the manual and temporal costs associated with post-training, this paper introduces a Simulated Chatbot Arena named WizardArena, which is fully based on and powered by open-source LLMs. For evaluation scenario, WizardArena can efficiently predict accurate performance rankings among different models based on offline test set. For training scenario, we simulate arena battles among various state-of-the-art models on a large scale of instruction data, subsequently leveraging the battle results to constantly enhance target model in both the supervised fine-tuning and reinforcement learning . Experimental results demonstrate that our WizardArena aligns closely with the online human arena rankings, and our models trained on offline extensive battle data exhibit significant performance improvements during SFT, DPO, and PPO stages.

Images are increasingly becoming the currency for documenting biodiversity on the planet, providing novel opportunities for accelerating scientific discoveries in the field of organismal biology, especially with the advent of large vision-language models (VLMs). We ask if pre-trained VLMs can aid scientists in answering a range of biologically relevant questions without any additional fine-tuning. In this paper, we evaluate the effectiveness of $12$ state-of-the-art (SOTA) VLMs in the field of organismal biology using a novel dataset, VLM4Bio, consisting of $469K$ question-answer pairs involving $30K$ images from three groups of organisms: fishes, birds, and butterflies, covering five biologically relevant tasks. We also explore the effects of applying prompting techniques and tests for reasoning hallucination on the performance of VLMs, shedding new light on the capabilities of current SOTA VLMs in answering biologically relevant questions using images.

For recent diffusion-based generative models, maintaining consistent content across a series of generated images, especially those containing subjects and complex details, presents a significant challenge. In this paper, we propose a simple but effective self-attention mechanism, termed Consistent Self-Attention, that boosts the consistency between the generated images. It can be used to augment pre-trained diffusion-based text-to-image models in a zero-shot manner. Based on the images with consistent content, we further show that our method can be extended to long range video generation by introducing a semantic space temporal motion prediction module, named Semantic Motion Predictor. It is trained to estimate the motion conditions between two provided images in the semantic spaces. This module converts the generated sequence of images into videos with smooth transitions and consistent subjects that are more stable than the modules based on latent spaces only, especially in the context of long video generation. By merging these two novel components, our framework, referred to as StoryDiffusion, can describe a text-based story with consistent images or videos encompassing a rich variety of contents. The proposed StoryDiffusion encompasses pioneering explorations in visual story generation with the presentation of images and videos, which we hope could inspire more research from the aspect of architectural modifications.

Diffusion models (DMs) have shown remarkable capabilities in generating realistic high-quality images, audios, and videos. They benefit significantly from extensive pre-training on large-scale datasets, including web-crawled data with paired data and conditions, such as image-text and image-class pairs. Despite rigorous filtering, these pre-training datasets often inevitably contain corrupted pairs where conditions do not accurately describe the data. This paper presents the first comprehensive study on the impact of such corruption in pre-training data of DMs. We synthetically corrupt ImageNet-1K and CC3M to pre-train and evaluate over $50$ conditional DMs. Our empirical findings reveal that various types of slight corruption in pre-training can significantly enhance the quality, diversity, and fidelity of the generated images across different DMs, both during pre-training and downstream adaptation stages. Theoretically, we consider a Gaussian mixture model and prove that slight corruption in the condition leads to higher entropy and a reduced 2-Wasserstein distance to the ground truth of the data distribution generated by the corruptly trained DMs. Inspired by our analysis, we propose a simple method to improve the training of DMs on practical datasets by adding condition embedding perturbations (CEP). CEP significantly improves the performance of various DMs in both pre-training and downstream tasks. We hope that our study provides new insights into understanding the data and pre-training processes of DMs.

Many imitation learning (IL) algorithms use inverse reinforcement learning (IRL) to infer a reward function that aligns with the demonstration. However, the inferred reward functions often fail to capture the underlying task objectives. In this paper, we propose a novel framework for IRL-based IL that prioritizes task alignment over conventional data alignment. Our framework is a semi-supervised approach that leverages expert demonstrations as weak supervision to derive a set of candidate reward functions that align with the task rather than only with the data. It then adopts an adversarial mechanism to train a policy with this set of reward functions to gain a collective validation of the policy's ability to accomplish the task. We provide theoretical insights into this framework's ability to mitigate task-reward misalignment and present a practical implementation. Our experimental results show that our framework outperforms conventional IL baselines in complex and transfer learning scenarios.

Prod is a seminal algorithm in full-information online learning, which has been conjectured to be fundamentally sub-optimal for multi-armed bandits. By leveraging the interpretation of Prod as a first-order OMD approximation, we present the following surprising results: 1. Variants of Prod can obtain optimal regret for adversarial multi-armed bandits. 2. There exists a simple and (arguably) importance-weighting free variant with optimal rate. 3. One can even achieve best-both-worlds guarantees with logarithmic regret in the stochastic regime. The bandit algorithms in this work use simple arithmetic update rules without the need of solving optimization problems typical in prior work. Finally, the results directly improve the state of the art of incentive-compatible bandits.

Distributionally Robust Optimization (DRO) accounts for uncertainty in data distributions by optimizing the model performance against the worst possible distribution within an ambiguity set. In this paper, we propose a DRO framework that relies on a new distance inspired by Unbalanced Optimal Transport (UOT). The proposed UOT distance employs a soft penalization term instead of hard constraints, enabling the construction of an ambiguity set that is more resilient to outliers. Under smoothness conditions, we establish strong duality of the proposed DRO problem. Moreover, we introduce a computationally efficient Lagrangian penalty formulation for which we show that strong duality also holds. Finally, we provide empirical results that demonstrate that our method offers improved robustness to outliers and is computationally less demanding for regression and classification tasks.

Gradient-variation online learning aims to achieve regret guarantees that scale with variations in the gradients of online functions, which is crucial for attaining fast convergence in games and robustness in stochastic optimization, hence receiving increased attention. Existing results often require the smoothness condition by imposing a fixed bound on gradient Lipschitzness, which may be unrealistic in practice. Recent efforts in neural network optimization suggest a generalized smoothness condition, allowing smoothness to correlate with gradient norms. In this paper, we systematically study gradient-variation online learning under generalized smoothness. We extend the classic optimistic mirror descent algorithm to derive gradient-variation regret by analyzing stability over the optimization trajectory and exploiting smoothness locally. Then, we explore universal online learning, designing a single algorithm with the optimal gradient-variation regrets for convex and strongly convex functions simultaneously, without requiring prior knowledge of curvature. This algorithm adopts a two-layer structure with a meta-algorithm running over a group of base-learners. To ensure favorable guarantees, we design a new Lipschitz-adaptive meta-algorithm, capable of handling potentially unbounded gradients while ensuring a second-order bound to effectively ensemble the base-learners. Finally, we provide the applications for fast-rate convergence in games and stochastic extended adversarial optimization.