NeurIPS 2024 Papers

3D Gaussian Splatting (3DGS) has shown convincing performance in rendering speed and fidelity, yet the generation of Gaussian Splatting remains a challenge due to its discreteness and unstructured nature. In this work, we propose DiffGS, a general Gaussian generator based on latent diffusion models. DiffGS is a powerful and efficient 3D generative model which is capable of generating Gaussian primitives at arbitrary numbers for high-fidelity rendering with rasterization. The key insight is to represent Gaussian Splatting in a disentangled manner via three novel functions to model Gaussian probabilities, colors and transforms. Through the novel disentanglement of 3DGS, we represent the discrete and unstructured 3DGS with continuous Gaussian Splatting functions, where we then train a latent diffusion model with the target of generating these Gaussian Splatting functions both unconditionally and conditionally. Meanwhile, we introduce a discretization algorithm to extract Gaussians at arbitrary numbers from the generated functions via octree-guided sampling and optimization. We explore DiffGS for various tasks, including unconditional generation, conditional generation from text, image, and partial 3DGS, as well as Point-to-Gaussian generation. We believe that DiffGS provides a new direction for flexibly modeling and generating Gaussian Splatting. Project page: https://junshengzhou.github.io/DiffGS.

We study multiclass PAC learning with bandit feedback, where inputs are classified into one of $K$ possible labels and feedback is limited to whether or not the predicted labels are correct. Our main contribution is in designing a novel learning algorithm for the agnostic $(\varepsilon,\delta)$-PAC version of the problem, with sample complexity of $O\big( (\operatorname{poly}(K) + 1 / \varepsilon^2) \log (|\mathcal{H}| / \delta) \big)$ for any finite hypothesis class $\mathcal{H}$. In terms of the leading dependence on $\varepsilon$, this improves upon existing bounds for the problem, that are of the form $O(K/\varepsilon^2)$. We also provide an extension of this result to general classes and establish similar sample complexity bounds in which $\log |\mathcal{H}|$ is replaced by the Natarajan dimension. This matches the optimal rate in the full-information version of the problem and resolves an open question studied by Daniely, Sabato, Ben-David, and Shalev-Shwartz (2011) who demonstrated that the multiplicative price of bandit feedback in realizable PAC learning is $\Theta(K)$. We complement this by revealing a stark contrast with the agnostic case, where the price of bandit feedback is only $O(1)$ as $\varepsilon \to 0$. Our algorithm utilizes a stochastic optimization technique to minimize a log-barrier potential based on Frank-Wolfe updates for computing a low-variance exploration distribution over the hypotheses, and is made computationally efficient provided access to an ERM oracle over $\mathcal{H}$.

In domains with interdependent data, such as graphs, quantifying the epistemic uncertainty of a Graph Neural Network (GNN) is challenging as uncertainty can arise at different structural scales. Existing techniques neglect this issue or only distinguish between structure-aware and structure-agnostic uncertainty without combining them into a single measure. We propose GEBM, an energy-based model (EBM) that provides high-quality uncertainty estimates by aggregating energy at different structural levels that naturally arise from graph diffusion. In contrast to logit-based EBMs, we provably induce an integrable density in the data space by regularizing the energy function. We introduce an evidential interpretation of our EBM that significantly improves the predictive robustness of the GNN. Our framework is a simple and effective post hoc method applicable to any pre-trained GNN that is sensitive to various distribution shifts. It consistently achieves the best separation of in-distribution and out-of-distribution data on 6 out of 7 anomaly types while having the best average rank over shifts on *all* datasets.

The rapid progression of urbanization has generated a diverse array of urban data, facilitating significant advancements in urban science and urban computing. Current studies often work on separate problems case by case using diverse data, e.g., air quality prediction, and built-up areas classification. This fragmented approach hinders the urban research field from advancing at the pace observed in Computer Vision and Natural Language Processing, due to two primary reasons. On the one hand, the diverse data processing steps lead to the lack of large-scale benchmarks and therefore decelerate iterative methodology improvement on a single problem. On the other hand, the disparity in multi-modal data formats hinders the combination of the related modal data to stimulate more research findings. To address these challenges, we propose UrbanDataLayer (UDL), a suite of standardized data structures and pipelines for city data engineering, providing a unified data format for researchers. This allows researchers to easily build up large-scale benchmarks and combine multi-modal data, thus expediting the development of multi-modal urban foundation models. To verify the effectiveness of our work, we present four distinct urban problem tasks utilizing the proposed data layer. UrbanDataLayer aims to enhance standardization and operational efficiency within the urban science research community. The examples and source code are available at https://github.com/SJTU-CILAB/udl.

The Column Subset Selection (CSS) problem has been widely studied in dimensionality reduction and feature selection. The goal of the CSS problem is to output a submatrix S, consisting of k columns from an n×d input matrix A that minimizes the residual error ‖A-SS^\dagger A‖_F^2, where S^\dagger is the Moore-Penrose inverse matrix of S. Many previous approximation algorithms have non-linear running times in both n and d, while the existing linear-time algorithms have a relatively larger approximation ratios. Additionally, the local search algorithms in existing results for solving the CSS problem are heuristic. To achieve linear running time while maintaining better approximation using a local search strategy, we propose a local search-based approximation algorithm for the CSS problem with exactly k columns selected. A key challenge in achieving linear running time with the local search strategy is how to avoid exhaustive enumerations of candidate columns for constructing swap pairs in each local search step. To address this issue, we propose a two-step mixed sampling method that reduces the number of enumerations for swap pair construction from O(dk) to k in linear time. Although the two-step mixed sampling method reduces the search space of local search strategy, bounding the residual error after swaps is a non-trivial task. To estimate the changes in residual error after swaps, we propose a matched swap pair construction method to bound the approximation loss, ensuring a constant probability of loss reduction in each local search step. In expectation, these techniques enable us to obtain the local search algorithm for the CSS problem with theoretical guarantees, where a 53(k+1)-approximate solution can be obtained in linear running time O(ndk^4\log k). Empirical experiments show that our proposed algorithm achieves better quality and time compared to previous algorithms on both small and large datasets. Moreover, it is at least 10 times faster than state-of-the-art algorithms across all large-scale datasets.

With the increasing complexity of generative AI models, post-training quantization (PTQ) has emerged as a promising solution for deploying hyper-scale models on edge devices such as mobile and TVs. Existing PTQ schemes, however, consume considerable time and resources, which could be a bottleneck in real situations where frequent model updates and multiple hyperparameter tunings are required. As a cost-effective alternative, learning-free PTQ schemes have been proposed. However, the performance is somewhat limited because they cannot consider the inter-layer dependency within the attention module, which is a significant feature of Transformers. In this paper, we thus propose a novel PTQ algorithm that balances accuracy and efficiency. The key idea of the proposed algorithm called aespa is to perform quantization layer-wise for efficiency while targeting attention-wise reconstruction to consider the cross-layer dependency. Through extensive experiments on various language models and complexity analysis, we demonstrate that aespa is accurate and efficient in quantizing Transformer models. The code will be available at https: //github.com/SamsungLabs/aespa.

Large language models (LLMs) have shown impressive capabilities in real-world applications. The capability of *in-context learning* (ICL) allows us to adapt an LLM to downstream tasks by including input-label exemplars in the prompt without model fine-tuning. However, the quality of these exemplars in the prompt greatly impacts performance, highlighting the need for an effective automated exemplar selection method. Recent studies have explored retrieval-based approaches to select exemplars tailored to individual test queries, which can be undesirable due to extra test-time computation and an increased risk of data exposure. Moreover, existing methods fail to adequately account for the impact of exemplar ordering on the performance. On the other hand, the impact of the *instruction*, another essential component in the prompt given to the LLM, is often overlooked in existing exemplar selection methods. To address these challenges, we propose a novel method named $\texttt{EASE}$, which leverages the hidden embedding from a pre-trained language model to represent ordered sets of exemplars and uses a neural bandit algorithm to optimize the sets of exemplars *while accounting for exemplar ordering*. Our $\texttt{EASE}$ can efficiently find an ordered set of exemplars that *performs well for all test queries* from a given task, thereby eliminating test-time computation. Importantly, $\texttt{EASE}$ can be readily extended to *jointly optimize both the exemplars and the instruction*. Through extensive empirical evaluations (including novel tasks), we demonstrate the superiority of $\texttt{EASE}$ over existing methods, and reveal practical insights about the impact of exemplar selection on ICL, which may be of independent interest. Our code is available at https://github.com/ZhaoxuanWu/EASE-Prompt-Optimization.

Robust estimation of the essential matrix, which encodes the relative position and orientation of two cameras, is a fundamental step in structure from motion pipelines. Recent deep-based methods achieved accurate estimation by using complex network architectures that involve graphs, attention layers, and hard pruning steps. Here, we propose a simpler network architecture based on Deep Sets. Given a collection of point matches extracted from two images, our method identifies outlier point matches and models the displacement noise in inlier matches. A weighted DLT module uses these predictions to regress the essential matrix. Our network achieves accurate recovery that is superior to existing networks with significantly more complex architectures.

Humans naturally retain memories of permanent elements, while ephemeral moments often slip through the cracks of memory. This selective retention is crucial for robotic perception, localization, and mapping. To endow robots with this capability, we introduce 3D Gaussian Mapping (3DGM), a self-supervised, camera-only offline mapping framework grounded in 3D Gaussian Splatting. 3DGM converts multitraverse RGB videos from the same region into a Gaussian-based environmental map while concurrently performing 2D ephemeral object segmentation. Our key observation is that the environment remains consistent across traversals, while objects frequently change. This allows us to exploit self-supervision from repeated traversals to achieve environment-object decomposition. More specifically, 3DGM formulates multitraverse environmental mapping as a robust 3D representation learning problem, treating pixels of the environment and objects as inliers and outliers, respectively. Using robust feature distillation, feature residual mining, and robust optimization, 3DGM simultaneously performs 2D segmentation and 3D mapping without human intervention. We build the Mapverse benchmark, sourced from the Ithaca365 and nuPlan datasets, to evaluate our method in unsupervised 2D segmentation, 3D reconstruction, and neural rendering. Extensive results verify the effectiveness and potential of our method for self-driving and robotics.

This paper introduces xRAG, an innovative context compression method tailored for retrieval-augmented generation. xRAG reinterprets document embeddings in dense retrieval--traditionally used solely for retrieval--as features from the retrieval modality. By employing a modality fusion methodology, xRAG seamlessly integrates these embeddings into the language model representation space, effectively eliminating the need for their textual counterparts and achieving an extreme compression rate. In xRAG, the only trainable component is the modality bridge, while both the retriever and the language model remain frozen. This design choice allows for the reuse of offline-constructed document embeddings and preserves the plug-and-play nature of retrieval augmentation. Experimental results demonstrate that xRAG achieves an average improvement of over 10% across six knowledge-intensive tasks, adaptable to various language model backbones, ranging from a dense 7B model to an 8x7B Mixture of Experts configuration. xRAG not only significantly outperforms previous context compression methods but also matches the performance of uncompressed models on several datasets, while reducing overall FLOPs by a factor of 3.53. Our work pioneers new directions in retrieval-augmented generation from the perspective of multimodality fusion, and we hope it lays the foundation for future efficient and scalable retrieval-augmented systems.

We introduce the Block Transformer which adopts hierarchical global-to-local modeling to autoregressive transformers to mitigate the inference bottlenecks associated with self-attention. Self-attention requires the key-value (KV) cache of all previous sequences to be retrieved from memory at every decoding step to retrieve context information, leading to two primary bottlenecks during batch inference. First, there is a significant delay in obtaining the first token, as the information of the entire prompt must first be processed to prefill the KV cache. Second, computation of subsequent tokens is bottlenecked by the high memory I/O demand of fetching the entire KV cache, which grows linearly with sequence length, incurring quadratic memory reads overall. We design the Block Transformer to strategically mitigate these costs, by incorporating coarsity and locality into an integrated global-to-local architecture. At the lower layers, we aggregate tokens into fixed size blocks to apply attention across the entire sequence at coarse-grained detail, to capture the global context while minimizing KV cache overhead. At upper layers, we apply attention within each block to decode individual tokens, to model fine-grained details with a lightweight local KV cache. We pretrain vanilla and Block Transformers from scratch and demonstrate that Block Transformers reach 10--20x inference throughput compared to vanilla transformers with equivalent perplexity and zero-shot task performance.

Node centralities play a pivotal role in network science, social network analysis, and recommender systems. In temporal data, static path-based centralities like closeness or betweenness can give misleading results about the true importance of nodes in a temporal graph. To address this issue, temporal generalizations of betweenness and closeness have been defined that are based on the shortest time-respecting paths between pairs of nodes. However, a major issue of those generalizations is that the calculation of such paths is computationally expensive. Addressing this issue, we study the application of De Bruijn Graph Neural Networks (DBGNN), a time-aware graph neural network architecture, to predict temporal path-based centralities in time series data. We experimentally evaluate our approach in 13 temporal graphs from biological and social systems and show that it considerably improves the prediction of betweenness and closeness centrality compared to (i) a static Graph Convolutional Neural Network, (ii) an efficient sampling-based approximation technique for temporal betweenness, and (iii) two state-of-the-art time-aware graph learning techniques for dynamic graphs.

Most of existing federated learning (FL) formulation is treated as a point-estimate of models, inherently prone to overfitting on scarce client-side data with overconfident decisions. Though Bayesian inference can alleviate this issue, a direct posterior inference at clients may result in biased local posterior estimates due to data heterogeneity, leading to a sub-optimal global posterior. From an information-theoretic perspective, we propose FedMDMI, a federated posterior inference framework based on model-data mutual information (MI). Specifically, a global model-data MI term is introduced as regularization to enforce the global model to learn essential information from the heterogeneous local data, alleviating the bias caused by data heterogeneity and hence enhancing generalization. To make this global MI tractable, we decompose it into local MI terms at the clients, converting the global objective with MI regularization into several locally optimizable objectives based on local data. For these local objectives, we further show that the optimal local posterior is a Gibbs posterior, which can be efficiently sampled with stochastic gradient Langevin dynamics methods. Finally, at the server, we approximate sampling from the global Gibbs posterior by simply averaging samples from the local posteriors. Theoretical analysis provides a generalization bound for FL w.r.t. the model-data MI, which, at different levels of regularization, represents a federated version of the bias-variance trade-off. Experimental results demonstrate a better generalization behavior with better calibrated uncertainty estimates of FedMDMI.

Scene graph generation (SGG) analyzes images to extract meaningful information about objects and their relationships. In the dynamic visual world, it is crucial for AI systems to continuously detect new objects and establish their relationships with existing ones. Recently, numerous studies have focused on continual learning within the domains of object detection and image recognition. However, a limited amount of research focuses on a more challenging continual learning problem in SGG. This increased difficulty arises from the intricate interactions and dynamic relationships among objects, and their associated contexts. Thus, in continual learning, SGG models are often required to expand, modify, retain, and reason scene graphs within the process of adaptive visual scene understanding. To systematically explore Continual Scene Graph Generation (CSEGG), we present a comprehensive benchmark comprising three learning regimes: relationship incremental, scene incremental, and relationship generalization. Moreover, we introduce a ``Replays via Analysis by Synthesis" method named RAS. This approach leverages the scene graphs, decomposes and re-composes them to represent different scenes, and replays the synthesized scenes based on these compositional scene graphs. The replayed synthesized scenes act as a means to practice and refine proficiency in SGG in known and unknown environments. Our experimental results not only highlight the challenges of directly combining existing continual learning methods with SGG backbones but also demonstrate the effectiveness of our proposed approach, enhancing CSEGG efficiency while simultaneously preserving privacy and memory usage. All data and source code will be made public.

Our world is full of varied actions and moves in specialized fields that we, as humans, seek to identify and learn about. To evaluate the effectiveness of multi-modal models in helping us recognize such fine-grained actions, we introduce ActionAtlas, a video question answering (VideoQA) benchmark on fine-grained action recognition with short videos across various sports. ActionAtlas contains 554 videos spanning 284 actions across 42 sports with 1161 actions as total potential choices. Unlike most existing action recognition benchmarks that focus on simplistic actions, often identifiable from a single frame, ActionAtlas focuses on intricate movements and tests the models' ability to discern subtle differences. Additionally, each video in ActionAtlas also includes a question, which helps to more accurately pinpoint the action's performer in scenarios where multiple individuals are involved in different activities. We evaluate proprietary and open models on this benchmark and show that the state-of-the-art models only perform at most 48.73% accurately where random chance is 20%. Furthermore, our results show that a high frame sampling rate is essential for recognizing actions in ActionAtlas, a feature that current top proprietary models like Gemini lack in their default settings.

Generative modeling over discrete data has recently seen numerous success stories, with applications spanning language modeling, biological sequence design, and graph-structured molecular data. The predominant generative modeling paradigm for discrete data is still autoregressive, with more recent alternatives based on diffusion or flow-matching falling short of their impressive performance in continuous data settings, such as image or video generation. In this work, we introduce Fisher-Flow, a novel flow-matching model for discrete data. Fisher-Flow takes a manifestly geometric perspective by considering categorical distributions over discrete data as points residing on a statistical manifold equipped with its natural Riemannian metric: the \emph{Fisher-Rao metric}. As a result, we demonstrate discrete data itself can be continuously reparameterised to points on the positive orthant of the $d$-hypersphere $\mathbb{S}^d_+$, which allows us to define flows that map any source distribution to target in a principled manner by transporting mass along (closed-form) geodesics of $\mathbb{S}^d_+$. Furthermore, the learned flows in Fisher-Flow can be further bootstrapped by leveraging Riemannian optimal transport leading to improved training dynamics. We prove that the gradient flow induced by Fisher-FLow is optimal in reducing the forward KL divergence. We evaluate Fisher-Flow on an array of synthetic and diverse real-world benchmarks, including designing DNA Promoter, and DNA Enhancer sequences. Empirically, we find that Fisher-Flow improves over prior diffusion and flow-matching models on these benchmarks.

Low Rank Adaptation (LoRA) has gained massive attention in the recent generative AI research. One of the main advantages of LoRA is its ability to be fused with pretrained models, adding no overhead during inference. However, from a mobile deployment standpoint, we can either avoid inference overhead in the fused mode but lose the ability to switch adapters rapidly, or suffer significant (up to 30% higher) inference latency while enabling rapid switching in the unfused mode. LoRA also exhibits concept-loss when multiple adapters are used concurrently. In this paper, we propose Sparse High Rank Adapters (SHiRA), a new paradigm which incurs no inference overhead, enables rapid switching, and significantly reduces concept-loss. Specifically, SHiRA can be trained by directly tuning only 1-2% of the base model weights while leaving others unchanged. This results in a highly sparse adapter which can be switched directly in the fused mode. We further provide theoretical and empirical insights on how high sparsity in SHiRA can aid multi-adapter fusion by reducing concept loss. Our extensive experiments on LVMs and LLMs demonstrate that finetuning only a small fraction of the parameters in the base model significantly outperforms LoRA while enabling both rapid switching and multi-adapter fusion. Finally, we provide a latency- and memory-efficient SHiRA implementation based on Parameter-Efficient Finetuning (PEFT) Library which trains at nearly the same speed as LoRA while consuming up to 16% lower peak GPU memory, thus making SHiRA easy to adopt for practical use cases. To demonstrate rapid switching benefits during inference, we show that loading SHiRA on a base model can be 5x-16x faster than LoRA fusion on a CPU.

Pretraining data selection has the potential to improve language model pretraining efficiency by utilizing higher-quality data from massive web data corpora. Current data selection methods, which rely on either hand-crafted rules or larger reference models, are conducted statically and do not capture the evolving data preferences during pretraining. In this paper, we introduce *model-aware data selection with data influence models (MATES)*, where a data influence model continuously adapts to the evolving data preferences of the pretraining model and then selects the data most effective for the current pretraining progress. Specifically, we collect oracle data influence by locally probing the pretraining model and fine-tune a small data influence model to approximate it accurately. The data influence model then predicts data influence over the whole pretraining corpus and selects the most influential data for the next pretraining stage. Experiments of pretraining 410M and 1B models on the C4 dataset demonstrate that MATES significantly outperforms random data selection on extensive downstream tasks. It doubles the gains achieved by the state-of-the-art data selection approach that leverages larger reference models and reduces the total FLOPs required to reach certain performances by half. Further analyses validate the effectiveness of the locally probed oracle data influence and the approximation with data influence models. Our code is open-sourced at https://github.com/cxcscmu/MATES.

We provide new lower bounds on the privacy guarantee of _multi-epoch_ Adaptive Batch Linear Queries (ABLQ) mechanism with _shuffled batch sampling_, demonstrating substantial gaps when compared to _Poisson subsampling_; prior analysis was limited to a single epoch. Since the privacy analysis of Differentially Private Stochastic Gradient Descent (DP-SGD) is obtained by analyzing the ABLQ mechanism, this brings into serious question the common practice of implementing Shuffling based DP-SGD, but reporting privacy parameters as if Poisson subsampling was used. To understand the impact of this gap on the utility of trained machine learning models, we introduce a novel practical approach to implement Poisson subsampling _at scale_ using massively parallel computation, and efficiently train models with the same. We provide a comparison between the utility of models trained with Poisson subsampling based DP-SGD, and the optimistic estimates of utility when using shuffling, via our new lower bounds on the privacy guarantee of ABLQ with shuffling.