NeurIPS 2024 Papers

Ensuring that a DNN satisfies a desired property is critical when deploying DNNs in safety-critical applications. There are efficient methods that can verify whether a DNN satisfies a property, as seen in the annual DNN verification competition (VNN-COMP). However, the problem of provably editing a DNN to satisfy a property remains challenging. We present PREPARED, the first efficient technique for provable editing of DNNs. Given a DNN $\mathcal{N}$ with parameters $\theta$, input polytope $P$, and output polytope $Q$, PREPARED finds new parameters $\theta'$ such that $\forall \mathrm{x} \in P . \mathcal{N}(\mathrm{x}; \theta') \in Q$ while minimizing the changes $\lVert{\theta' - \theta}\rVert$. Given a DNN and a property it violates from the VNN-COMP benchmarks, PREPARED is able to provably edit the DNN to satisfy this property within 45 seconds. PREPARED is efficient because it relaxes the NP-hard provable editing problem to solving a linear program. The key contribution is the novel notion of Parametric Linear Relaxation, which enables PREPARED to construct tight output bounds of the DNN that are parameterized by the new parameters $\theta'$. We demonstrate that PREPARED is more efficient and effective compared to prior DNN editing approaches i) using the VNN-COMP benchmarks, ii) by editing CIFAR10 and TinyImageNet image-recognition DNNs, and BERT sentiment-classification DNNs for local robustness, and iii) by training a DNN to model a geodynamics process and satisfy physics constraints.

Recent open-world 3D representation learning methods using Vision-Language Models (VLMs) to align 3D point clouds with image-text information have shown superior 3D zero-shot performance. However, CAD-rendered images for this alignment often lack realism and texture variation, compromising alignment robustness. Moreover, the volume discrepancy between 3D and 2D pretraining datasets highlights the need for effective strategies to transfer the representational abilities of VLMs to 3D learning. In this paper, we present OpenDlign, a novel open-world 3D model using depth-aligned images generated from a diffusion model for robust multimodal alignment. These images exhibit greater texture diversity than CAD renderings due to the stochastic nature of the diffusion model. By refining the depth map projection pipeline and designing depth-specific prompts, OpenDlign leverages rich knowledge in pre-trained VLM for 3D representation learning with streamlined fine-tuning. Our experiments show that OpenDlign achieves high zero-shot and few-shot performance on diverse 3D tasks, despite only fine-tuning 6 million parameters on a limited ShapeNet dataset. In zero-shot classification, OpenDlign surpasses previous models by 8.0\% on ModelNet40 and 16.4\% on OmniObject3D. Additionally, using depth-aligned images for multimodal alignment consistently enhances the performance of other state-of-the-art models.

On User-Generated Content (UGC) platforms, recommendation algorithms significantly impact creators' motivation to produce content as they compete for algorithmically allocated user traffic. This phenomenon subtly shapes the volume and diversity of the content pool, which is crucial for the platform's sustainability. In this work, we demonstrate, both theoretically and empirically, that a purely relevance-driven policy with low exploration strength boosts short-term user satisfaction but undermines the long-term richness of the content pool. In contrast, a more aggressive exploration policy may slightly compromise user satisfaction but promote higher content creation volume. Our findings reveal a fundamental trade-off between immediate user satisfaction and overall content production on UGC platforms. Building on this finding, we propose an efficient optimization method to identify the optimal exploration strength, balancing user and creator engagement. Our model can serve as a pre-deployment audit tool for recommendation algorithms on UGC platforms, helping to align their immediate objectives with sustainable, long-term goals.

The softmax gating function is arguably the most popular choice in mixture of experts modeling. Despite its widespread use in practice, the softmax gating may lead to unnecessary competition among experts, potentially causing the undesirable phenomenon of representation collapse due to its inherent structure. In response, the sigmoid gating function has been recently proposed as an alternative and has been demonstrated empirically to achieve superior performance. However, a rigorous examination of the sigmoid gating function is lacking in current literature. In this paper, we verify theoretically that the sigmoid gating, in fact, enjoys a higher sample efficiency than the softmax gating for the statistical task of expert estimation. Towards that goal, we consider a regression framework in which the unknown regression function is modeled as a mixture of experts, and study the rates of convergence of the least squares estimator under the over-specified case in which the number of fitted experts is larger than the true value. We show that two gating regimes naturally arise and, in each of them, we formulate an identifiability condition for the expert functions and derive the corresponding convergence rates. In both cases, we find that experts formulated as feed-forward networks with commonly used activation such as $\mathrm{ReLU}$ and $\mathrm{GELU}$ enjoy faster convergence rates under the sigmoid gating than those under softmax gating. Furthermore, given the same choice of experts, we demonstrate that the sigmoid gating function requires a smaller sample size than its softmax counterpart to attain the same error of expert estimation and, therefore, is more sample efficient.

PAC-Bayes learning is a comprehensive setting for (i) studying the generalisation ability of learning algorithms and (ii) deriving new learning algorithms by optimising a generalisation bound. However, optimising generalisation bounds might not always be viable for tractable or computational reasons, or both. For example, iteratively querying the empirical risk might prove computationally expensive. In response, we introduce a novel principled strategy for building an iterative learning algorithm via the optimisation of a sequence of surrogate training objectives, inherited from PAC-Bayes generalisation bounds. The key argument is to replace the empirical risk (seen as a function of hypotheses) in the generalisation bound by its projection onto a constructible low dimensional functional space: these projections can be queried much more efficiently than the initial risk. On top of providing that generic recipe for learning via surrogate PAC-Bayes bounds, we (i) contribute theoretical results establishing that iteratively optimising our surrogates implies the optimisation of the original generalisation bounds, (ii) instantiate this strategy to the framework of meta-learning, introducing a meta-objective offering a closed form expression for meta-gradient, (iii) illustrate our approach with numerical experiments inspired by an industrial biochemical problem.

Recently, multi-modal entity alignment has emerged as a pivotal endeavor for the integration of Multi-Modal Knowledge Graphs (MMKGs) originating from diverse data sources. Existing works primarily focus on fully depicting entity features by designing various modality encoders or fusion approaches. However, uncertain correspondences between inter-modal or intra-modal cues, such as weak inter-modal associations, description diversity, and modality absence, still severely hinder the effective exploration of aligned entity similarities. To this end, in this paper, we propose a novel Tackling uncertain correspondences method for Multi-modal Entity Alignment (TMEA). Specifically, to handle diverse attribute knowledge descriptions, we design alignment-augmented abstract representation that incorporates the large language model and in-context learning into attribute alignment and filtering for generating and embedding the attribute abstract. In order to mitigate the influence of the modality absence, we propose to unify all modality features into a shared latent subspace and generate pseudo features via variational autoencoders according to existing modal features. Then, we develop an inter-modal commonality enhancement mechanism based on cross-attention with orthogonal constraints, to address weak semantic associations between modalities. Extensive experiments on two real-world datasets validate the effectiveness of TMEA with a clear improvement over competitive baselines.

Peptide design plays a pivotal role in therapeutics, allowing brand new possibility to leverage target binding sites that are previously undruggable. Most existing methods are either inefficient or only concerned with the target-agnostic design of 1D sequences. In this paper, we propose a generative model for full-atom Peptide design with Geometric LAtent Diffusion (PepGLAD) given the binding site. We first establish a benchmark consisting of both 1D sequences and 3D structures from Protein Data Bank (PDB) and literature for systematic evaluation. We then identify two major challenges of leveraging current diffusion-based models for peptide design: the full-atom geometry and the variable binding geometry. To tackle the first challenge, PepGLAD derives a variational autoencoder that first encodes full-atom residues of variable size into fixed-dimensional latent representations, and then decodes back to the residue space after conducting the diffusion process in the latent space. For the second issue, PepGLAD explores a receptor-specific affine transformation to convert the 3D coordinates into a shared standard space, enabling better generalization ability across different binding shapes. Experimental Results show that our method not only improves diversity and binding affinity significantly in the task of sequence-structure co-design, but also excels at recovering reference structures for binding conformation generation.

Network pruning is a commonly used measure to alleviate the storage and computational burden of deep neural networks. However, the fundamental limit of network pruning is still lacking. To close the gap, in this work we'll take a first-principles approach, i.e. we'll directly impose the sparsity constraint on the loss function and leverage the framework of statistical dimension in convex geometry, thus enabling us to characterize the sharp phase transition point, which can be regarded as the fundamental limit of the pruning ratio. Through this limit, we're able to identify two key factors that determine the pruning ratio limit, namely, weight magnitude and network sharpness. Generally speaking, the flatter the loss landscape or the smaller the weight magnitude, the smaller pruning ratio. Moreover, we provide efficient countermeasures to address the challenges in the computation of the pruning limit, which mainly involves the accurate spectrum estimation of a large-scale and non-positive Hessian matrix. Moreover, through the lens of the pruning ratio threshold, we can also provide rigorous interpretations on several heuristics in existing pruning algorithms. Extensive experiments are performed which demonstrate that our theoretical pruning ratio threshold coincides very well with the experiments. All codes are available at: https://github.com/QiaozheZhang/Global-One-shot-Pruning

Personalized Federated Graph Learning (pFGL) facilitates the decentralized training of Graph Neural Networks (GNNs) without compromising privacy while accommodating personalized requirements for non-IID participants. In cross-domain scenarios, structural heterogeneity poses significant challenges for pFGL. Nevertheless, previous pFGL methods incorrectly share non-generic knowledge globally and fail to tailor personalized solutions locally under domain structural shift. We innovatively reveal that the spectral nature of graphs can well reflect inherent domain structural shifts. Correspondingly, our method overcomes it by sharing generic spectral knowledge. Moreover, we indicate the biased message-passing schemes for graph structures and propose the personalized preference module. Combining both strategies, we propose our pFGL framework $\textbf{FedSSP}$ which $\textbf{S}$hares generic $\textbf{S}$pectral knowledge while satisfying graph $\textbf{P}$references. Furthermore, We perform extensive experiments on cross-dataset and cross-domain settings to demonstrate the superiority of our framework. The code is available at https://github.com/OakleyTan/FedSSP.

In online bilateral trade, a platform posts prices to incoming pairs of buyers and sellers that have private valuations for a certain good. If the price is lower than the buyers' valuation and higher than the sellers' valuation, then a trade takes place. Previous work focused on the platform perspective, with the goal of setting prices maximizing the *gain from trade* (the sum of sellers' and buyers' utilities). Gain from trade is, however, potentially unfair to traders, as they may receive highly uneven shares of the total utility. In this work we enforce fairness by rewarding the platform with the _fair gain from trade_, defined as the minimum between sellers' and buyers' utilities. After showing that any no-regret learning algorithm designed to maximize the sum of the utilities may fail badly with fair gain from trade, we present our main contribution: a complete characterization of the regret regimes for fair gain from trade when, after each interaction, the platform only learns whether each trader accepted the current price. Specifically, we prove the following regret bounds: $\Theta(\ln T)$ in the deterministic setting, $\Omega(T)$ in the stochastic setting, and $\tilde{\Theta}(T^{2/3})$ in the stochastic setting when sellers' and buyers' valuations are independent of each other. We conclude by providing tight regret bounds when, after each interaction, the platform is allowed to observe the true traders' valuations.

Score distillation sampling (SDS) has proven to be an important tool, enabling the use of large-scale diffusion priors for tasks operating in data-poor domains. Unfortunately, SDS has a number of characteristic artifacts that limit its utility in general-purpose applications. In this paper, we make progress toward understanding the behavior of SDS and its variants by viewing them as solving an optimal-cost transport path from some current source distribution to a target distribution. Under this new interpretation, we argue that these methods' characteristic artifacts are caused by (1) linear approximation of the optimal path and (2) poor estimates of the source distribution. We show that by calibrating the text conditioning of the source distribution, we can produce high-quality generation and translation results with little extra overhead. Our method can be easily applied across many domains, matching or beating the performance of specialized methods. We demonstrate its utility in text-to-2D, text-to-3D, translating paintings to real images, optical illusion generation, and 3D sketch-to-real. We compare our method to existing approaches for score distillation sampling and show that it can produce high-frequency details with realistic colors.

Federated learning (FL) is an emerging machine learning (ML) training paradigm where clients own their data and collaborate to train a global model, without revealing any data to the server and other participants. Researchers commonly perform experiments in a simulation environment to quickly iterate on ideas. However, existing open-source tools do not offer the efficiency required to simulate FL on larger and more realistic FL datasets. We introduce $\texttt{pfl-research}$, a fast, modular, and easy-to-use Python framework for simulating FL. It supports TensorFlow, PyTorch, and non-neural network models, and is tightly integrated with state-of-the-art privacy algorithms. We study the speed of open-source FL frameworks and show that $\texttt{pfl-research}$ is 7-72$\times$ faster than alternative open-source frameworks on common cross-device setups. Such speedup will significantly boost the productivity of the FL research community and enable testing hypotheses on realistic FL datasets that were previously too resource intensive. We release a suite of benchmarks that evaluates an algorithm's overall performance on a diverse set of realistic scenarios.

Self-supervised heterogeneous graph learning (SHGL) has shown promising potential in diverse scenarios. However, while existing SHGL methods share a similar essential with clustering approaches, they encounter two significant limitations: (i) noise in graph structures is often introduced during the message-passing process to weaken node representations, and (ii) cluster-level information may be inadequately captured and leveraged, diminishing the performance in downstream tasks. In this paper, we address these limitations by theoretically revisiting SHGL from the spectral clustering perspective and introducing a novel framework enhanced by rank and dual consistency constraints. Specifically, our framework incorporates a rank-constrained spectral clustering method that refines the affinity matrix to exclude noise effectively. Additionally, we integrate node-level and cluster-level consistency constraints that concurrently capture invariant and clustering information to facilitate learning in downstream tasks. We theoretically demonstrate that the learned representations are divided into distinct partitions based on the number of classes and exhibit enhanced generalization ability across tasks. Experimental results affirm the superiority of our method, showcasing remarkable improvements in several downstream tasks compared to existing methods.

Efficiently aggregating trained neural networks from local clients into a global model on a server is a widely researched topic in federated learning. Recently, motivated by diminishing privacy concerns, mitigating potential attacks, and reducing communication overhead, one-shot federated learning (i.e., limiting client-server communication into a single round) has gained popularity among researchers. However, the one-shot aggregation performances are sensitively affected by the non-identical training data distribution, which exhibits high statistical heterogeneity in some real-world scenarios. To address this issue, we propose a novel one-shot aggregation method with layer-wise posterior aggregation, named FedLPA. FedLPA aggregates local models to obtain a more accurate global model without requiring extra auxiliary datasets or exposing any private label information, e.g., label distributions. To effectively capture the statistics maintained in the biased local datasets in the practical non-IID scenario, we efficiently infer the posteriors of each layer in each local model using layer-wise Laplace approximation and aggregate them to train the global parameters. Extensive experimental results demonstrate that FedLPA significantly improves learning performance over state-of-the-art methods across several metrics.

Floods are among the most common and devastating natural hazards, imposing immense costs on our society and economy due to their disastrous consequences. Recent progress in weather prediction and spaceborne flood mapping demonstrated the feasibility of anticipating extreme events and reliably detecting their catastrophic effects afterwards. However, these efforts are rarely linked to one another and there is a critical lack of datasets and benchmarks to enable the direct forecasting of flood extent. To resolve this issue, we curate a novel dataset enabling a timely prediction of flood extent. Furthermore, we provide a representative evaluation of state-of-the-art methods, structured into two benchmark tracks for forecasting flood inundation maps i) in general and ii) focused on coastal regions. Altogether, our dataset and benchmark provide a comprehensive platform for evaluating flood forecasts, enabling future solutions for this critical challenge. Data, code \& models are shared at https://github.com/Multihuntr/GFF under a CC0 license.

Accurately quantifying tree cover is an important metric for ecosystem monitoring and for assessing progress in restored sites. Recent works have shown that deep learning-based segmentation algorithms are capable of accurately mapping trees at country and continental scales using high-resolution aerial and satellite imagery. Mapping at high (ideally sub-meter) resolution is necessary to identify individual trees, however there are few open-access datasets containing instance level annotations and those that exist are small or not geographically diverse. We present a novel open-access dataset for individual tree crown delineation (TCD) in high-resolution aerial imagery sourced from OpenAerialMap (OAM). Our dataset, OAM-TCD, comprises 5072 2048x2048 px images at 10 cm/px resolution with associated human-labeled instance masks for over 280k individual and 56k groups of trees. By sampling imagery from around the world, we are able to better capture the diversity and morphology of trees in different terrestrial biomes and in both urban and natural environments. Using our dataset, we train reference instance and semantic segmentation models that compare favorably to existing state-of-the-art models. We assess performance through k-fold cross-validation and comparison with existing datasets; additionally we demonstrate compelling results on independent aerial imagery captured over Switzerland and compare to municipal tree inventories and LIDAR-derived canopy maps in the city of Zurich. Our dataset, models and training/benchmark code are publicly released under permissive open-source licenses: Creative Commons (majority CC BY 4.0), and Apache 2.0 respectively.

Recent advances in implicit neural representation (INR)-based video coding have demonstrated its potential to compete with both conventional and other learning- based approaches. With INR methods, a neural network is trained to overfit a video sequence, with its parameters compressed to obtain a compact representation of the video content. However, although promising results have been achieved, the best INR-based methods are still out-performed by the latest standard codecs, such as VVC VTM, partially due to the simple model compression techniques employed. In this paper, rather than focusing on representation architectures, which is a common focus in many existing works, we propose a novel INR-based video compression framework, Neural Video Representation Compression (NVRC), targeting compression of the representation. Based on its novel quantization and entropy coding approaches, NVRC is the first framework capable of optimizing an INR-based video representation in a fully end-to-end manner for the rate-distortion trade-off. To further minimize the additional bitrate overhead introduced by the entropy models, NVRC also compresses all the network, quantization and entropy model parameters hierarchically. Our experiments show that NVRC outperforms many conventional and learning-based benchmark codecs, with a 23% average coding gain over VVC VTM (Random Access) on the UVG dataset, measured in PSNR. As far as we are aware, this is the first time an INR-based video codec achieving such performance.

Since the inception of our planet, the meteorological environment, as reflected through spatio-temporal data, has always been a fundamental factor influencing human life, socio-economic progress, and ecological conservation. A comprehensive exploration of this data is thus imperative to gain a deeper understanding and more accurate forecasting of these environmental shifts. Despite the success of deep learning techniques within the realm of spatio-temporal data and earth science, existing public datasets are beset with limitations in terms of spatial scale, temporal coverage, and reliance on limited time series data. These constraints hinder their optimal utilization in practical applications. To address these issues, we introduce **Terra**, a multimodal spatio-temporal dataset spanning the earth. This dataset encompasses hourly time series data from 6,480,000 grid areas worldwide over the past 45 years, while also incorporating multimodal spatial supplementary information including geo-images and explanatory text. Through a detailed data analysis and evaluation of existing deep learning models within earth sciences, utilizing our constructed dataset. we aim to provide valuable opportunities for enhancing future research in spatio-temporal data mining, thereby advancing towards more spatio-temporal general intelligence. Our source code and data can be accessed at https://github.com/CityMind-Lab/NeurIPS24-Terra.

Visual object tracking aims to locate a targeted object in a video sequence based on an initial bounding box. Recently, Vision-Language~(VL) trackers have proposed to utilize additional natural language descriptions to enhance versatility in various applications. However, VL trackers are still inferior to State-of-The-Art (SoTA) visual trackers in terms of tracking performance. We found that this inferiority primarily results from their heavy reliance on manual textual annotations, which include the frequent provision of ambiguous language descriptions. In this paper, we propose ChatTracker to leverage the wealth of world knowledge in the Multimodal Large Language Model (MLLM) to generate high-quality language descriptions and enhance tracking performance. To this end, we propose a novel reflection-based prompt optimization module to iteratively refine the ambiguous and inaccurate descriptions of the target with tracking feedback. To further utilize semantic information produced by MLLM, a simple yet effective VL tracking framework is proposed and can be easily integrated as a plug-and-play module to boost the performance of both VL and visual trackers. Experimental results show that our proposed ChatTracker achieves a performance comparable to existing methods.