NeurIPS 2024 Papers

For many graph-related problems, it can be essential to have a set of structurally diverse graphs. For instance, such graphs can be used for testing graph algorithms or their neural approximations. However, to the best of our knowledge, the problem of generating structurally diverse graphs has not been explored in the literature. In this paper, we fill this gap. First, we discuss how to define diversity for a set of graphs, why this task is non-trivial, and how one can choose a proper diversity measure. Then, for a given diversity measure, we propose and compare several algorithms optimizing it: we consider approaches based on standard random graph models, local graph optimization, genetic algorithms, and neural generative models. We show that it is possible to significantly improve diversity over basic random graph generators. Additionally, our analysis of generated graphs allows us to better understand the properties of graph distances: depending on which diversity measure is used for optimization, the obtained graphs may possess very different structural properties which gives a better understanding of the graph distance underlying the diversity measure.

Scaling machine learning models significantly improves their performance. However, such gains come at the cost of inference being slow and resource-intensive. Early-exit neural networks (EENNs) offer a promising solution: they accelerate inference by allowing intermediate layers to exit and produce a prediction early. Yet a fundamental issue with EENNs is how to determine when to exit without severely degrading performance. In other words, when is it 'safe' for an EENN to go 'fast'? To address this issue, we investigate how to adapt frameworks of risk control to EENNs. Risk control offers a distribution-free, post-hoc solution that tunes the EENN's exiting mechanism so that exits only occur when the output is of sufficient quality. We empirically validate our insights on a range of vision and language tasks, demonstrating that risk control can produce substantial computational savings, all the while preserving user-specified performance goals.

Visual place recognition (VPR) is an essential task for multiple applications such as augmented reality and robot localization. Over the past decade, mainstream methods in the VPR area have been to use feature representation based on global aggregation, as exemplified by NetVLAD. These features are suitable for large-scale VPR and robust against viewpoint changes. However, the VLAD-based aggregation methods usually learn a large number of (e.g., 64) clusters and their corresponding cluster centers, which directly leads to a high dimension of the yielded global features. More importantly, when there is a domain gap between the data in training and inference, the cluster centers determined on the training set are usually improper for inference, resulting in a performance drop. To this end, we first attempt to improve NetVLAD by removing the cluster center and setting only a small number of (e.g., only 4) clusters. The proposed method not only simplifies NetVLAD but also enhances the generalizability across different domains. We name this method SuperVLAD. In addition, by introducing ghost clusters that will not be retained in the final output, we further propose a very low-dimensional 1-Cluster VLAD descriptor, which has the same dimension as the output of GeM pooling but performs notably better. Experimental results suggest that, when paired with a transformer-based backbone, our SuperVLAD shows better domain generalization performance than NetVLAD with significantly fewer parameters. The proposed method also surpasses state-of-the-art methods with lower feature dimensions on several benchmark datasets. The code is available at https://github.com/lu-feng/SuperVLAD.

Fairness in clustering has been considered extensively in the past; however, the trade-off between the two objectives --- e.g., can we sacrifice just a little in the quality of the clustering to significantly increase fairness, or vice-versa? --- has rarely been addressed. We introduce novel algorithms for tracing the complete trade-off curve, or Pareto front, between quality and fairness in clustering problems; that is, computing all clusterings that are not dominated in both objectives by other clusterings. Unlike previous work that deals with specific objectives for quality and fairness, we deal with all objectives for fairness and quality in two general classes encompassing most of the special cases addressed in previous work. Our algorithm must take exponential time in the worst case as the Parero front itself can be exponential. Even when the Pareto front is polynomial, our algorithm may take exponential time, and we prove that this is inevitable unless P = NP. However, we also present a new polynomial-time algorithm for computing the entire Pareto front when the cluster centers are fixed, and for perhaps the most natural fairness objective: minimizing the sum, over all clusters, of the imbalance between the two groups in each cluster.

Large language models (LLMs) have emerged as a cornerstone in real-world applications with lengthy streaming inputs (e.g., LLM-driven agents). However, existing LLMs, pre-trained on sequences with a restricted maximum length, cannot process longer sequences due to the out-of-domain and distraction issues. Common solutions often involve continual pre-training on longer sequences, which will introduce expensive computational overhead and uncontrollable change in model capabilities. In this paper, we unveil the intrinsic capacity of LLMs for understanding extremely long sequences without any fine-tuning. To this end, we introduce a training-free memory-based method, InfLLM. Specifically, InfLLM stores distant contexts into additional memory units and employs an efficient mechanism to lookup token-relevant units for attention computation. Thereby, InfLLM allows LLMs to efficiently process long sequences with a limited context window and well capture long-distance dependencies. Without any training, InfLLM enables LLMs that are pre-trained on sequences consisting of a few thousand tokens to achieve comparable performance with competitive baselines that continually train these LLMs on long sequences. Even when the sequence length is scaled to 1,024K, InfLLM still effectively captures long-distance dependencies. Our code can be found at https://github.com/thunlp/InfLLM.

The explainability of deep neural networks (DNNs) is critical for trust and reliability in AI systems. Path-based attribution methods, such as integrated gradients (IG), aim to explain predictions by accumulating gradients along a path from a baseline to the target image. However, noise accumulated during this process can significantly distort the explanation. While existing methods primarily concentrate on finding alternative paths to circumvent noise, they overlook a critical issue: intermediate-step images frequently diverge from the distribution of training data, further intensifying the impact of noise. This work presents a novel Denoising Diffusion Path (DDPath) to tackle this challenge by harnessing the power of diffusionmodels for denoising. By exploiting the inherent ability of diffusion models to progressively remove noise from an image, DDPath constructs a piece-wise linear path. Each segment of this path ensures that samples drawn from a Gaussian distribution are centered around the target image. This approach facilitates a gradual reduction of noise along the path. We further demonstrate that DDPath adheres to essential axiomatic properties for attribution methods and can be seamlessly integrated with existing methods such as IG. Extensive experimental results demonstrate that DDPath can significantly reduce noise in the attributions—resulting in clearer explanations—and achieves better quantitative results than traditional path-based methods.

We introduce VideoLISA, a video-based multimodal large language model designed to tackle the problem of language-instructed reasoning segmentation in videos. Leveraging the reasoning capabilities and world knowledge of large language models, and augmented by the Segment Anything Model, VideoLISA generates temporally consistent segmentation masks in videos based on language instructions. Existing image-based methods, such as LISA, struggle with video tasks due to the additional temporal dimension, which requires temporal dynamic understanding and consistent segmentation across frames. VideoLISA addresses these challenges by integrating a Sparse Dense Sampling strategy into the video-LLM, which balances temporal context and spatial detail within computational constraints. Additionally, we propose a One-Token-Seg-All approach using a specially designed <TRK> token, enabling the model to segment and track objects across multiple frames. Extensive evaluations on diverse benchmarks, including our newly introduced ReasonVOS benchmark, demonstrate VideoLISA's superior performance in video object segmentation tasks involving complex reasoning, temporal understanding, and object tracking. While optimized for videos, VideoLISA also shows promising generalization to image segmentation, revealing its potential as a unified foundation model for language-instructed object segmentation. Code and model will be available at: https://github.com/showlab/VideoLISA.

Hybrid Reinforcement Learning (RL), where an agent learns from both an offline dataset and online explorations in an unknown environment, has garnered significant recent interest. A crucial question posed by Xie et al. (2022) is whether hybrid RL can improve upon the existing lower bounds established in purely offline and purely online RL without relying on the single-policy concentrability assumption. While Li et al. (2023) provided an affirmative answer to this question in the tabular PAC RL case, the question remains unsettled for both the regret-minimizing RL case and the non-tabular case. In this work, building upon recent advancements in offline RL and reward-agnostic exploration, we develop computationally efficient algorithms for both PAC and regret-minimizing RL with linear function approximation, without requiring concentrability on the entire state-action space. We demonstrate that these algorithms achieve sharper error or regret bounds that are no worse than, and can improve on, the optimal sample complexity in offline RL (the first algorithm, for PAC RL) and online RL (the second algorithm, for regret-minimizing RL) in linear Markov decision processes (MDPs), regardless of the quality of the behavior policy. To our knowledge, this work establishes the tightest theoretical guarantees currently available for hybrid RL in linear MDPs.

While diffusion models have shown impressive performance in 2D image/video generation, diffusion-based Text-to-Multi-view-Video (T2MVid) generation remains underexplored. The new challenges posed by T2MVid generation lie in the lack of massive captioned multi-view videos and the complexity of modeling such multi-dimensional distribution. To this end, we propose a novel diffusion-based pipeline that generates high-quality multi-view videos centered around a dynamic 3D object from text. Specifically, we factor the T2MVid problem into viewpoint-space and time components. Such factorization allows us to combine and reuse layers of advanced pre-trained multi-view image and 2D video diffusion models to ensure multi-view consistency as well as temporal coherence for the generated multi-view videos, largely reducing the training cost. We further introduce alignment modules to align the latent spaces of layers from the pre-trained multi-view and the 2D video diffusion models, addressing the reused layers' incompatibility that arises from the domain gap between 2D and multi-view data. In support of this and future research, we further contribute a captioned multi-view video dataset. Experimental results demonstrate that our method generates high-quality multi-view videos, exhibiting vivid motions, temporal coherence, and multi-view consistency, given a variety of text prompts.

We establish a new model-agnostic optimization framework for out-of-distribution generalization via multicalibration, a criterion that ensures a predictor is calibrated across a family of overlapping groups. Multicalibration is shown to be associated with robustness of statistical inference under covariate shift. We further establish a link between multicalibration and robustness for prediction tasks both under and beyond covariate shift. We accomplish this by extending multicalibration to incorporate grouping functions that consider covariates and labels jointly. This leads to an equivalence of the extended multicalibration and invariance, an objective for robust learning in existence of concept shift. We show a linear structure of the grouping function class spanned by density ratios, resulting in a unifying framework for robust learning by designing specific grouping functions. We propose MC-Pseudolabel, a post-processing algorithm to achieve both extended multicalibration and out-of-distribution generalization. The algorithm, with lightweight hyperparameters and optimization through a series of supervised regression steps, achieves superior performance on real-world datasets with distribution shift.

Learning concepts from natural high-dimensional data (e.g., images) holds potential in building human-aligned and interpretable machine learning models. Despite its encouraging prospect, formalization and theoretical insights into this crucial task are still lacking. In this work, we formalize concepts as discrete latent causal variables that are related via a hierarchical causal model that encodes different abstraction levels of concepts embedded in high-dimensional data (e.g., a dog breed and its eye shapes in natural images). We formulate conditions to facilitate the identification of the proposed causal model, which reveals when learning such concepts from unsupervised data is possible. Our conditions permit complex causal hierarchical structures beyond latent trees and multi-level directed acyclic graphs in prior work and can handle high-dimensional, continuous observed variables, which is well-suited for unstructured data modalities such as images. We substantiate our theoretical claims with synthetic data experiments. Further, we discuss our theory's implications for understanding the underlying mechanisms of latent diffusion models and provide corresponding empirical evidence for our theoretical insights.

Learning the unknown causal parameters of a linear structural causal model is a fundamental task in causal analysis. The task, known as the problem of identification, asks to estimate the parameters of the model from a combination of assumptions on the graphical structure of the model and observational data, represented as a non-causal covariance matrix. In this paper, we give a new sound and complete algorithm for generic identification which runs in polynomial space. By a standard simulation result, namely $\mathsf{PSPACE} \subseteq \mathsf{EXP}$, this algorithm has exponential running time which vastly improves the state-of-the-art double exponential time method using a Gröbner basis approach. The paper also presents evidence that parameter identification is computationally hard in general. In particular, we prove, that the task asking whether, for a given feasible correlation matrix, there are exactly one or two or more parameter sets explaining the observed matrix, is hard for $\forall \mathbb{R}$, the co-class of the existential theory of the reals. In particular, this problem is $\mathsf{coNP}$-hard. To our best knowledge, this is the first hardness result for some notion of identifiability.

Recent research indicates that large language models (LLMs) are susceptible to jailbreaking attacks that can generate harmful content. This paper introduces a novel token-level attack method, Adaptive Dense-to-Sparse Constrained Optimization (ADC), which has been shown to successfully jailbreak multiple open-source LLMs. Drawing inspiration from the difficulties of discrete token optimization, our method relaxes the discrete jailbreak optimization into a continuous optimization process while gradually increasing the sparsity of the optimizing vectors. This technique effectively bridges the gap between discrete and continuous space optimization. Experimental results demonstrate that our method is more effective and efficient than state-of-the-art token-level methods. On Harmbench, our approach achieves the highest attack success rate on seven out of eight LLMs compared to the latest jailbreak methods. \textcolor{red}{Trigger Warning: This paper contains model behavior that can be offensive in nature.}

In federated learning (FL), accommodating clients' varied computational capacities poses a challenge, often limiting the participation of those with constrained resources in global model training. To address this issue, the concept of model heterogeneity through submodel extraction has emerged, offering a tailored solution that aligns the model's complexity with each client's computational capacity. In this work, we propose Federated Importance-Aware Submodel Extraction (FIARSE), a novel approach that dynamically adjusts submodels based on the importance of model parameters, thereby overcoming the limitations of previous static and dynamic submodel extraction methods. Compared to existing works, the proposed method offers a theoretical foundation for the submodel extraction and eliminates the need for additional information beyond the model parameters themselves to determine parameter importance, significantly reducing the overhead on clients. Extensive experiments are conducted on various datasets to showcase the superior performance of the proposed FIARSE.

This paper studies the problem of \emph{entropy identity testing}: given sample access to a distribution $p$ and a fully described distribution $q$ (both are discrete distributions over the support of size $k$), and the promise that either $p = q$ or $ | H(p) - H(q) | \geqslant \varepsilon$, where $H(\cdot)$ denotes the Shannon entropy, a tester needs to distinguish between the two cases with high probability. We establish a near-optimal sample complexity bound of $\tilde{\Theta}(\sqrt{k}/\varepsilon + {1}/{\varepsilon^2}$) for this problem, and show how to apply it to the problem of identity testing for in-degree-$d$ $n$-dimensional Bayesian networks, obtaining an upper bound of $\tilde{O}( {2^{d / 2} n^{3/2}}/{\varepsilon^2} + {n^2}/{\varepsilon^4} )$. This improves on the sample complexity bound of $\tilde{O}(2^{d/2}n^2/\varepsilon^4)$ from Canonne, Diakonikolas, Kane, and Stewart (2020), which required an additional assumption on the structure of the (unknown) Bayesian network.

Bird's-eye-view (BEV) map layout estimation requires an accurate and full understanding of the semantics for the environmental elements around the ego car to make the results coherent and realistic. Due to the challenges posed by occlusion, unfavourable imaging conditions and low resolution, \emph{generating} the BEV semantic maps corresponding to corrupted or invalid areas in the perspective view (PV) is appealing very recently. \emph{The question is how to align the PV features with the generative models to facilitate the map estimation}. In this paper, we propose to utilize a generative model similar to the Vector Quantized-Variational AutoEncoder (VQ-VAE) to acquire prior knowledge for the high-level BEV semantics in the tokenized discrete space. Thanks to the obtained BEV tokens accompanied with a codebook embedding encapsulating the semantics for different BEV elements in the groundtruth maps, we are able to directly align the sparse backbone image features with the obtained BEV tokens from the discrete representation learning based on a specialized token decoder module, and finally generate high-quality BEV maps with the BEV codebook embedding serving as a bridge between PV and BEV. We evaluate the BEV map layout estimation performance of our model, termed VQ-Map, on both the nuScenes and Argoverse benchmarks, achieving 62.2/47.6 mean IoU for surround-view/monocular evaluation on nuScenes, as well as 73.4 IoU for monocular evaluation on Argoverse, which all set a new record for this map layout estimation task. The code and models are available on \url{https://github.com/Z1zyw/VQ-Map}.

Estimating treatment effects over time holds significance in various domains, including precision medicine, epidemiology, economy, and marketing. This paper introduces a unique approach to counterfactual regression over time, emphasizing long-term predictions. Distinguishing itself from existing models like Causal Transformer, our approach highlights the efficacy of employing RNNs for long-term forecasting, complemented by Contrastive Predictive Coding (CPC) and Information Maximization (InfoMax). Emphasizing efficiency, we avoid the need for computationally expensive transformers. Leveraging CPC, our method captures long-term dependencies within time-varying confounders. Notably, recent models have disregarded the importance of invertible representation, compromising identification assumptions. To remedy this, we employ the InfoMax principle, maximizing a lower bound of mutual information between sequence data and its representation. Our method achieves state-of-the-art counterfactual estimation results using both synthetic and real-world data, marking the pioneering incorporation of Contrastive Predictive Encoding in causal inference.

Fine-grained understanding of objects, attributes, and relationships between objects is crucial for visual-language models (VLMs). To evaluate VLMs' fine-grained understanding, existing benchmarks primarily focus on evaluating VLMs' capability to distinguish between two very similar captions given an image. In this paper, our focus is on evaluating VLMs' capability to distinguish between two very similar images given a caption. To this end, we introduce a new, challenging benchmark termed Visual Minimal-Change Understanding (VisMin), which requires models to predict the correct image-caption match given two images and two captions. Importantly, the image pair (as well as the caption pair) contains minimal changes, i.e., between the two images (as well as between the two captions), only one aspect changes at a time from among the following possible types of changes: object, attribute, count, and spatial relation. These four types of minimal changes are specifically designed to test the models' understanding of objects, attributes of objects (such as color, material, shape), counts of objects, and spatial relationships between objects. To curate our benchmark, we built an automatic pipeline using large language models and diffusion models, followed by a rigorous 4-step verification process by human annotators. Empirical experiments reveal that current VLMs exhibit notable deficiencies in understanding spatial relationships and counting abilities. Furthermore, leveraging the automated nature of our data creation process, we generate a large-scale training dataset, which we use to finetune CLIP (a foundational VLM) and Idefics2 (a multimodal large language model). Our findings show that both these models benefit significantly from fine-tuning on this data, as evident by marked improvements in fine-grained understanding across a wide range of benchmarks. Additionally, such fine-tuning improves CLIP's general image-text alignment capabilities too. All resources including the benchmark, the training data, and the finetuned model checkpoints will be released.

The Mixture of Experts (MoE) paradigm provides a powerful way to decompose dense layers into smaller, modular computations often more amenable to human interpretation, debugging, and editability. However, a major challenge lies in the computational cost of scaling the number of experts high enough to achieve fine-grained specialization. In this paper, we propose the Multilinear Mixture of Experts (μMoE) layer to address this, focusing on vision models. μMoE layers enable scalable expert specialization by performing an implicit computation on prohibitively large weight tensors entirely in factorized form. Consequently, μMoEs (1) avoid the restrictively high inference-time costs of dense MoEs, yet (2) do not inherit the training issues of the popular sparse MoEs' discrete (non-differentiable) expert routing. We present both qualitative and quantitative evidence that scaling μMoE layers when fine-tuning foundation models for vision tasks leads to more specialized experts at the class-level, further enabling manual bias correction in CelebA attribute classification. Finally, we show qualitative results demonstrating the expert specialism achieved when pre-training large GPT2 and MLP-Mixer models with parameter-matched μMoE blocks at every layer, maintaining comparable accuracy. Our code is available at: https://github.com/james-oldfield/muMoE.