mtybilly/Instruct2DS huggingface dataset:
Fully Explicit Dynamic Gaussian Splatting
Authors: Changyeon Won, Hyunjun Jung, Inhwan Bae, Hae-Gon Jeon Junoh Lee
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D Gaussian Splatting has shown fast and high-quality rendering results in static scenes by leveraging dense 3D prior and explicit representations. Unfortunately, the benefits of the prior and representation do not involve novel view synthesis for dynamic motions. Ironically, this is because the main barrier is the reliance on them, which requires increasing training and rendering times to account for dynamic motions. In this paper, we design Explicit 4D Gaussian Splatting (Ex4DGS).Our key idea is to firstly separate static and dynamic Gaussians during training, and to explicitly sample positions and rotations of the dynamic Gaussians at sparse timestamps. The sampled positions and rotations are then interpolated to represent both spatially and temporally continuous motions of objects in dynamic scenes as well as reducing computational cost. Additionally, we introduce a progressive training scheme and a point-backtracking technique that improves Ex4DGS's convergence. We initially train Ex4DGS using short timestamps and progressively extend timestamps, which makes it work well with a few point clouds. The point-backtracking is used to quantify the cumulative error of each Gaussian over time, enabling the detection and removal of erroneous Gaussians in dynamic scenes. Comprehensive experiments on various scenes demonstrate the state-of-the-art rendering quality from our method, achieving fast rendering of 62 fps on a single 2080Ti GPU.
Graph Neural Networks and Arithmetic Circuits
Authors: Vivian Holzapfel, Laura Strieker, Jonni Virtema, Heribert Vollmer Timon Barlag
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We characterize the computational power of neural networks that follow the graph neural network (GNN) architecture, not restricted to aggregate-combine GNNs or other particular types. We establish an exact correspondence between the expressivity of GNNs using diverse activation functions and arithmetic circuits over real numbers. In our results the activation function of the network becomes a gate type in the circuit. Our result holds for families of constant depth circuits and networks, both uniformly and non-uniformly, for all common activation functions.
Self-Refining Diffusion Samplers: Enabling Parallelization via Parareal Iterations
Authors: Amil Merchant, Stefano Ermon Nikil Roashan Selvam
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In diffusion models, samples are generated through an iterative refinement process, requiring hundreds of sequential model evaluations. Several recent methods have introduced approximations (fewer discretization steps or distillation) to trade off speed at the cost of sample quality. In contrast, we introduce Self-Refining Diffusion Samplers (SRDS) that retain sample quality and can improve latency at the cost of additional parallel compute. We take inspiration from the Parareal algorithm, a popular numerical method for parallel-in-time integration of differential equations. In SRDS, a quick but rough estimate of a sample is first created and then iteratively refined in parallel through Parareal iterations. SRDS is not only guaranteed to accurately solve the ODE and converge to the serial solution but also benefits from parallelization across the diffusion trajectory, enabling batched inference and pipelining. As we demonstrate for pre-trained diffusion models, the early convergence of this refinement procedure drastically reduces the number of steps required to produce a sample, speeding up generation for instance by up to 1.7x on a 25-step StableDiffusion-v2 benchmark and up to 4.3x on longer trajectories.
Can Learned Optimization Make Reinforcement Learning Less Difficult?
Authors: Chris Lu, Matthew T. Jackson, Shimon Whiteson, Jakob N. Foerster Alexander D. Goldie
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While reinforcement learning (RL) holds great potential for decision making in the real world, it suffers from a number of unique difficulties which often need specific consideration. In particular: it is highly non-stationary; suffers from high degrees of plasticity loss; and requires exploration to prevent premature convergence to local optima and maximize return. In this paper, we consider whether learned optimization can help overcome these problems. Our method, Learned Optimization for Plasticity, Exploration and Non-stationarity (OPEN), meta-learns an update rule whose input features and output structure are informed by previously proposed solutions to these difficulties. We show that our parameterization is flexible enough to enable meta-learning in diverse learning contexts, including the ability to use stochasticity for exploration. Our experiments demonstrate that when meta-trained on single and small sets of environments, OPEN outperforms or equals traditionally used optimizers. Furthermore, OPEN shows strong generalization characteristics across a range of environments and agent architectures.
Kaleido Diffusion: Improving Conditional Diffusion Models with Autoregressive Latent Modeling
Authors: Ying Shen, Shuangfei Zhai, Yizhe Zhang, Navdeep Jaitly, Josh Susskind Jiatao Gu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models have emerged as a powerful tool for generating high-quality images from textual descriptions. Despite their successes, these models often exhibit limited diversity in the sampled images, particularly when sampling with a high classifier-free guidance weight. To address this issue, we present Kaleido, a novel approach that enhances the diversity of samples by incorporating autoregressive latent priors. Kaleido integrates an autoregressive language model that encodes the original caption and generates latent variables, serving as abstract and intermediary representations for guiding and facilitating the image generation process.In this paper, we explore a variety of discrete latent representations, including textual descriptions, detection bounding boxes, object blobs, and visual tokens. These representations diversify and enrich the input conditions to the diffusion models, enabling more diverse outputs.Our experimental results demonstrate that Kaleido effectively broadens the diversity of the generated image samples from a given textual description while maintaining high image quality. Furthermore, we show that Kaleido adheres closely to the guidance provided by the generated latent variables, demonstrating its capability to effectively control and direct the image generation process.
Schur Nets: exploiting local structure for equivariance in higher order graph neural networks
Authors: Ruize Xu, Risi Kondor Qingqi Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent works have shown that extending the message passing paradigm to subgraphs communicating with other subgraphs, especially via higher order messages, can boost the expressivity of graph neural networks. In such architectures, to faithfully account for local structure such as cycles, the local operations must be equivariant to the automorphism group of the local environment. However, enumerating the automorphism groups of all subgraphs of interest and finding appropriate equivariant operations for each one of them separately is generally not feasible. In this paper we propose a solution to this problem based on spectral graph theory that bypasses having to determine the automorphism group entirely and constructs a basis for equivariant operations directly from the graph Laplacian. We show that this approach can boost the performance of GNNs on some standard benchmarks.
Visual Fourier Prompt Tuning
Authors: Cheng Han, Qifan Wang, Chunshu Wu, Tong Geng, Lifu Huang, Ying Nian Wu, Dongfang Liu Runjia Zeng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: With the scale of vision Transformer-based models continuing to grow, finetuning these large-scale pretrained models for new tasks has become increasingly parameter-intensive. Visual prompt tuning is introduced as a parameter-efficient finetuning (PEFT) method to this trend. Despite its successes, a notable research challenge persists within almost all PEFT approaches: significant performance degradation is observed when there is a substantial disparity between the datasets applied in pretraining and finetuning phases. To address this challenge, we draw inspiration from human visual cognition, and propose the Visual Fourier Prompt Tuning (VFPT) method as a general and effective solution for adapting large-scale transformer-based models. Our approach innovatively incorporates the Fast Fourier Transform into prompt embeddings and harmoniously considers both spatial and frequency domain information. Apart from its inherent simplicity and intuitiveness, VFPT exhibits superior performance across all datasets, offering a general solution to dataset challenges, irrespective of data disparities. Empirical results demonstrate that our approach outperforms current state-of-the-art baselines on two benchmarks, with low parameter usage (e.g., 0.57% of model parameters on VTAB-1k) and notable performance enhancements (e.g., 73.20% of mean accuracy on VTAB-1k). Our code is avaliable at https://github.com/runtsang/VFPT.
Learning Representations for Hierarchies with Minimal Support
Authors: Michael Boratko, Dhruvesh Patel, Wenlong Zhao, Shib Dasgupta, Hung Le, Andrew McCallum Benjamin Rozonoyer
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When training node embedding models to represent large directed graphs (digraphs), it is impossible to observe all entries of the adjacency matrix during training. As a consequence most methods employ sampling. For very large digraphs, however, this means many (most) entries may be unobserved during training. In general, observing every entry would be necessary to uniquely identify a graph, however if we know the graph has a certain property some entries can be omitted - for example, only half the entries would be required for a symmetric graph. In this work, we develop a novel framework to identify a subset of entries required to uniquely distinguish a graph among all transitively-closed DAGs. We give an explicit algorithm to compute the provably minimal set of entries, and demonstrate empirically that one can train node embedding models with greater efficiency and performance, provided the energy function has an appropriate inductive bias. We achieve robust performance on synthetic hierarchies and a larger real-world taxonomy, observing improved convergence rates in a resource-constrained setting while reducing the set of training examples by as much as 99%.
Continuous Partitioning for Graph-Based Semi-Supervised Learning
Authors: Pengwen Chen, Zhengchao Wan, Chung-Kuan Cheng, Gal Mishne Chester Holtz
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Laplace learning algorithms for graph-based semi-supervised learning have been shown to produce degenerate predictions at low label rates and in imbalanced class regimes, particularly near class boundaries. We propose CutSSL: a framework for graph-based semi-supervised learning based on continuous nonconvex quadratic programming, which provably obtains \emph{integer} solutions. Our framework is naturally motivated by an \emph{exact} quadratic relaxation of a cardinality-constrained minimum-cut graph partitioning problem. Furthermore, we show our formulation is related to an optimization problem whose approximate solution is the mean-shifted Laplace learning heuristic, thus providing new insight into the performance of this heuristic. We demonstrate that CutSSL significantly surpasses the current state-of-the-art on k-nearest neighbor graphs and large real-world graph benchmarks across a variety of label rates, class imbalance, and label imbalance regimes. Our implementation is available on Colab\footnote{\url{https://colab.research.google.com/drive/1tGU5rxE1N5d0KGcNzlvZ0BgRc7_vob7b?usp=sharing}}.
Expressive Gaussian Human Avatars from Monocular RGB Video
Authors: Zhiwen Fan, Tianhao Wu, Yihan Xi, Seoyoung Lee, Georgios Pavlakos, Zhangyang Wang Hezhen Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Nuanced expressiveness, especially through detailed hand and facial expressions, is pivotal for enhancing the realism and vitality of digital human representations.In this work, we aim to learn expressive human avatars from a monocular RGB video; a setting that introduces new challenges in capturing and animating fine-grained details.To this end, we introduce EVA, a drivable human model that can recover fine details based on 3D Gaussians and an expressive parametric human model, SMPL-X.Focused on enhancing expressiveness, our work makes three key contributions.First, we highlight the importance of aligning the SMPL-X model with the video frames for effective avatar learning.Recognizing the limitations of current methods for estimating SMPL-X parameters from in-the-wild videos, we introduce a reconstruction module that significantly improves the image-model alignment.Second, we propose a context-aware adaptive density control strategy, which is adaptively adjusting the gradient thresholds to accommodate the varied granularity across body parts.Third, we develop a feedback mechanism that predicts per-pixel confidence to better guide the optimization of 3D Gaussians.Extensive experiments on two benchmarks demonstrate the superiority of our approach both quantitatively and qualitatively, especially on the fine-grained hand and facial details. We make our code available at the project website: https://evahuman.github.io.
Hardness of Learning Neural Networks under the Manifold Hypothesis
Authors: Jason Wang, Melanie Weber Bobak T. Kiani
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The manifold hypothesis presumes that high-dimensional data lies on or near a low-dimensional manifold. While the utility of encoding geometric structure has been demonstrated empirically, rigorous analysis of its impact on the learnability of neural networks is largely missing. Several recent results have established hardness results for learning feedforward and equivariant neural networks under i.i.d. Gaussian or uniform Boolean data distributions. In this paper, we investigate the hardness of learning under the manifold hypothesis. We ask, which minimal assumptions on the curvature and regularity of the manifold, if any, render the learning problem efficiently learnable. We prove that learning is hard under input manifolds of bounded curvature by extending proofs of hardness in the SQ and cryptographic settings for boolean data inputs to the geometric setting. On the other hand, we show that additional assumptions on the volume of the data manifold alleviate these fundamental limitations and guarantee learnability via a simple interpolation argument. Notable instances of this regime are manifolds which can be reliably reconstructed via manifold learning. Looking forward, we comment on and empirically explore intermediate regimes of manifolds, which have heterogeneous features commonly found in real world data.
TOPA: Extending Large Language Models for Video Understanding via Text-Only Pre-Alignment
Authors: Hehe Fan, Yongkang Wong, Mohan Kankanhalli, Yi Yang Wei Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in image understanding have benefited from the extensive use of web image-text pairs. However, video understanding remains a challenge despite the availability of substantial web video-text data. This difficulty primarily arises from the inherent complexity of videos and the inefficient language supervision in recent web-collected video-text datasets. In this paper, we introduce Text-Only Pre-Alignment (TOPA), a novel approach to extend large language models (LLMs) for video understanding, without the need for pre-training on real video data. Specifically, we first employ an advanced LLM to automatically generate Textual Videos comprising continuous textual frames, along with corresponding annotations to simulate real video-text data. Then, these annotated textual videos are used to pre-align a language-only LLM with the video modality. To bridge the gap between textual and real videos, we employ the CLIP model as the feature extractor to align image and text modalities. During text-only pre-alignment, the continuous textual frames, encoded as a sequence of CLIP text features, are analogous to continuous CLIP image features, thus aligning the LLM with real video representation. Extensive experiments, including zero-shot evaluation and finetuning on various video understanding tasks, demonstrate that TOPA is an effective and efficient framework for aligning video content with LLMs. In particular, without training on any video data, the TOPA-Llama2-13B model achieves a Top-1 accuracy of 51.0% on the challenging long-form video understanding benchmark, Egoschema. This performance surpasses previous video-text pre-training approaches and proves competitive with recent GPT-3.5 based video agents.
Multi-Label Open Set Recognition
Authors: Jun-Yi Hang, Min-Ling Zhang Yi-Bo Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In multi-label learning, each training instance is associated with multiple labels simultaneously. Traditional multi-label learning studies primarily focus on closed set scenario, i.e. the class label set of test data is identical to those used in training phase. Nevertheless, in numerous real-world scenarios, the environment is open and dynamic where unknown labels may emerge gradually during testing. In this paper, the problem of multi-label open set recognition (MLOSR) is investigated, which poses significant challenges in classifying and recognizing instances with unknown labels in multi-label setting. To enable open set multi-label prediction, a novel approach named SLAN is proposed by leveraging sub-labeling information enriched by structural information in the feature space. Accordingly, unknown labels are recognized by differentiating the sub-labeling information from holistic supervision. Experimental results on various datasets validate the effectiveness of the proposed approach in dealing with the MLOSR problem.
Med-Real2Sim: Non-Invasive Medical Digital Twins using Physics-Informed Self-Supervised Learning
Authors: Frances Dean, Jack B. Jedlicki, David Ouyang, Anthony Philippakis, David Sontag, Ahmed Alaa Keying Kuang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A digital twin is a virtual replica of a real-world physical phenomena that uses mathematical modeling to characterize and simulate its defining features. By constructing digital twins for disease processes, we can perform in-silico simulations that mimic patients' health conditions and counterfactual outcomes under hypothetical interventions in a virtual setting. This eliminates the need for invasive procedures or uncertain treatment decisions. In this paper, we propose a method to identify digital twin model parameters using only noninvasive patient health data. We approach the digital twin modeling as a composite inverse problem, and observe that its structure resembles pretraining and finetuning in self-supervised learning (SSL). Leveraging this, we introduce a physics-informed SSL algorithm that initially pretrains a neural network on the pretext task of learning a differentiable simulator of a physiological process. Subsequently, the model is trained to reconstruct physiological measurements from noninvasive modalities while being constrained by the physical equations learned in pretraining. We apply our method to identify digital twins of cardiac hemodynamics using noninvasive echocardiogram videos, and demonstrate its utility in unsupervised disease detection and in-silico clinical trials.
SuperVLAD: Compact and Robust Image Descriptors for Visual Place Recognition
Authors: Xinyao Zhang, Canming Ye, Shuting Dong, Lijun Zhang, Xiangyuan Lan, Chun Yuan Feng Lu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 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.
Towards Scalable and Stable Parallelization of Nonlinear RNNs
Authors: Andrew Warrington, Jimmy T.H. Smith, Scott W. Linderman Xavier Gonzalez
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformers and linear state space models can be evaluated in parallel on modern hardware, but evaluating nonlinear RNNs appears to be an inherently sequential problem. Recently, however, Lim et al. '24 developed an approach called DEER, which evaluates nonlinear RNNs in parallel by posing the states as the solution to a fixed-point problem. They derived a parallel form of Newton's method to solve the fixed-point problem and achieved significant speedups over sequential evaluation. However, the computational complexity of DEER is cubic in the state size, and the algorithm can suffer from numerical instability. We address these limitations with two novel contributions. To reduce the computational complexity, we apply quasi-Newton approximations and show they converge comparably to Newton, use less memory, and are faster. To stabilize DEER, we leverage a connection between the Levenberg-Marquardt algorithm and Kalman smoothing, which we call ELK. This connection allows us to stabilize Newton's method while using efficient parallelized Kalman smoothing algorithms to retain performance. Through several experiments, we show that these innovations allow for parallel evaluation of nonlinear RNNs at larger scales and with greater stability.
3D Gaussian Rendering Can Be Sparser: Efficient Rendering via Learned Fragment Pruning
Authors: Chenxi Wan, Chaojian Li, Jihoon Hong, Sixu Li, Leshu Li, Yongan Zhang, Yingyan (Celine) Lin Zhifan Ye
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D Gaussian splatting has recently emerged as a promising technique for novel view synthesis from sparse image sets, yet comes at the cost of requiring millions of 3D Gaussian primitives to reconstruct each 3D scene. This largely limits its application to resource-constrained devices and applications.Despite advances in Gaussian pruning techniques that aim to remove individual 3D Gaussian primitives, the significant reduction in primitives often fails to translate into commensurate increases in rendering speed, impeding efficiency and practical deployment. We identify that this discrepancy arises due to the overlooked impact of fragment count per Gaussian (i.e., the number of pixels each Gaussian is projected onto). To bridge this gap and meet the growing demands for efficient on-device 3D Gaussian rendering, we propose fragment pruning, an orthogonal enhancement to existing pruning methods that can significantly accelerate rendering by selectively pruning fragments within each Gaussian. Our pruning framework dynamically optimizes the pruning threshold for each Gaussian, markedly improving rendering speed and quality. Extensive experiments in both static and dynamic scenes validate the effectiveness of our approach. For instance, by integrating our fragment pruning technique with state-of-the-art Gaussian pruning methods, we achieve up to a 1.71$\times$ speedup on an edge GPU device, the Jetson Orin NX, and enhance rendering quality by an average of 0.16 PSNR on the Tanks\&Temples dataset. Our code is available at https://github.com/GATECH-EIC/Fragment-Pruning.
Trade-Offs of Diagonal Fisher Information Matrix Estimators
Authors: Ke Sun Alexander Soen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The Fisher information matrix can be used to characterize the local geometry ofthe parameter space of neural networks. It elucidates insightful theories anduseful tools to understand and optimize neural networks. Given its highcomputational cost, practitioners often use random estimators and evaluate onlythe diagonal entries. We examine two popular estimators whose accuracy and samplecomplexity depend on their associated variances. We derive bounds of thevariances and instantiate them in neural networks for regression andclassification. We navigate trade-offs for both estimators based on analyticaland numerical studies. We find that the variance quantities depend on thenon-linearity w.r.t. different parameter groups and should not be neglected whenestimating the Fisher information.
End-to-end Learnable Clustering for Intent Learning in Recommendation
Authors: Shihao Zhu, Jun Xia, Yingwei Ma, Jian Ma, Xinwang Liu, Shengju Yu, Kejun Zhang, Wenliang Zhong Yue Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Intent learning, which aims to learn users' intents for user understanding and item recommendation, has become a hot research spot in recent years. However, existing methods suffer from complex and cumbersome alternating optimization, limiting performance and scalability. To this end, we propose a novel intent learning method termed \underline{ELCRec}, by unifying behavior representation learning into an \underline{E}nd-to-end \underline{L}earnable \underline{C}lustering framework, for effective and efficient \underline{Rec}ommendation. Concretely, we encode user behavior sequences and initialize the cluster centers (latent intents) as learnable neurons. Then, we design a novel learnable clustering module to separate different cluster centers, thus decoupling users' complex intents. Meanwhile, it guides the network to learn intents from behaviors by forcing behavior embeddings close to cluster centers. This allows simultaneous optimization of recommendation and clustering via mini-batch data. Moreover, we propose intent-assisted contrastive learning by using cluster centers as self-supervision signals, further enhancing mutual promotion. Both experimental results and theoretical analyses demonstrate the superiority of ELCRec from six perspectives. Compared to the runner-up, ELCRec improves NDCG@5 by 8.9\% and reduces computational costs by 22.5\% on the Beauty dataset. Furthermore, due to the scalability and universal applicability, we deploy this method on the industrial recommendation system with 130 million page views and achieve promising results. The codes are available on GitHub\footnote{https://github.com/yueliu1999/ELCRec}. A collection (papers, codes, datasets) of deep group recommendation/intent learning methods is available on GitHub\footnote{https://github.com/yueliu1999/Awesome-Deep-Group-Recommendation}.
LLMs as Zero-shot Graph Learners: Alignment of GNN Representations with LLM Token Embeddings
Authors: Yuan Zuo, Fengzhi Li, Junjie Wu Duo Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Zero-shot graph machine learning, especially with graph neural networks (GNNs), has garnered significant interest due to the challenge of scarce labeled data. While methods like self-supervised learning and graph prompt learning have been extensively explored, they often rely on fine-tuning with task-specific labels, limiting their effectiveness in zero-shot scenarios. Inspired by the zero-shot capabilities of instruction-fine-tuned large language models (LLMs), we introduce a novel framework named Token Embedding-Aligned Graph Language Model (TEA-GLM) that leverages LLMs as cross-dataset and cross-task zero-shot learners for graph machine learning. Concretely, we pretrain a GNN, aligning its representations with token embeddings of an LLM. We then train a linear projector that transforms the GNN's representations into a fixed number of graph token embeddings without tuning the LLM. A unified instruction is designed for various graph tasks at different levels, such as node classification (node-level) and link prediction (edge-level). These design choices collectively enhance our method's effectiveness in zero-shot learning, setting it apart from existing methods. Experiments show that our graph token embeddings help the LLM predictor achieve state-of-the-art performance on unseen datasets and tasks compared to other methods using LLMs as predictors. Our code is available at https://github.com/W-rudder/TEA-GLM.
Exploiting Representation Curvature for Boundary Detection in Time Series
Authors: Jaehyun Park, Hwanjun Song, Susik Yoon, Byung Suk Lee, Jae-Gil Lee Yooju Shin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Boundaries are the timestamps at which a class in a time series changes. Recently, representation-based boundary detection has gained popularity, but its emphasis on consecutive distance difference backfires, especially when the changes are gradual. In this paper, we propose a boundary detection method, RECURVE, based on a novel change metric, the curvature of a representation trajectory, to accommodate both gradual and abrupt changes. Here, a sequence of representations in the representation space is interpreted as a trajectory, and a curvature at each timestamp can be computed. Using the theory of random walk, we formally show that the mean curvature is lower near boundaries than at other points. Extensive experiments using diverse real-world time-series datasets confirm the superiority of RECURVE over state-of-the-art methods.
WorkArena++: Towards Compositional Planning and Reasoning-based Common Knowledge Work Tasks
Authors: Megh Thakkar, Maxime Gasse, Massimo Caccia, Thibault Le Sellier De Chezelles, Quentin Cappart, Nicolas Chapados, Alexandre Lacoste, Alexandre Drouin Léo Boisvert
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: The ability of large language models (LLMs) to mimic human-like intelligence has led to a surge in LLM-based autonomous agents. Though recent LLMs seem capable of planning and reasoning given user instructions, their effectiveness in applying these capabilities for autonomous task solving remains underexplored. This is especially true in enterprise settings, where automated agents hold the promise of a high impact. To fill this gap, we propose WorkArena++, a novel benchmark consisting of 682 tasks corresponding to realistic workflows routinely performed by knowledge workers. WorkArena++ is designed to evaluate the planning, problem-solving, logical/arithmetic reasoning, retrieval, and contextual understanding abilities of web agents. Our empirical studies across state-of-the-art LLMs and vision-language models (VLMs), as well as human workers, reveal several challenges for such models to serve as useful assistants in the workplace. In addition to the benchmark, we provide a mechanism to effortlessly generate thousands of ground-truth observation/action traces, which can be used for fine-tuning existing models. Overall, we expect this work to serve as a useful resource to help the community progress towards capable autonomous agents. The benchmark can be found at https://github.com/ServiceNow/WorkArena.
KnowGPT: Knowledge Graph based Prompting for Large Language Models
Authors: Junnan Dong, Hao Chen, Daochen Zha, Zailiang Yu, Xiao Huang Qinggang Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have demonstrated remarkable capabilities in many real-world applications. Nonetheless, LLMs are often criticized for their tendency to produce hallucinations, wherein the models fabricate incorrect statements on tasks beyond their knowledge and perception. To alleviate this issue, graph retrieval-augmented generation (GraphRAG) has been extensively explored which leverages the factual knowledge in knowledge graphs (KGs) to ground the LLM's responses in established facts and principles. However, most state-of-the-art LLMs are closed-source, making it challenging to develop a prompting framework that can efficiently and effectively integrate KGs into LLMs with hard prompts only. Generally, existing KG-enhanced LLMs usually suffer from three critical issues, including huge search space, high API costs, and laborious prompt engineering, that impede their widespread application in practice. To this end, we introduce a novel Knowledge Graph based PrompTing framework, namely KnowGPT, to enhance LLMs with domain knowledge. KnowGPT contains a knowledge extraction module to extract the most informative knowledge from KGs, and a context-aware prompt construction module to automatically convert extracted knowledge into effective prompts. Experiments on three benchmarks demonstrate that KnowGPT significantly outperforms all competitors. Notably, KnowGPT achieves a 92.6% accuracy on OpenbookQA leaderboard, comparable to human-level performance.
UDC: A Unified Neural Divide-and-Conquer Framework for Large-Scale Combinatorial Optimization Problems
Authors: Changliang Zhou, Xialiang Tong, Mingxuan Yuan, Zhenkun Wang Zhi Zheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Single-stage neural combinatorial optimization solvers have achieved near-optimal results on various small-scale combinatorial optimization (CO) problems without requiring expert knowledge. However, these solvers exhibit significant performance degradation when applied to large-scale CO problems. Recently, two-stage neural methods motivated by divide-and-conquer strategies have shown efficiency in addressing large-scale CO problems. Nevertheless, the performance of these methods highly relies on problem-specific heuristics in either the dividing or the conquering procedure, which limits their applicability to general CO problems. Moreover, these methods employ separate training schemes and ignore the interdependencies between the dividing and conquering strategies, often leading to sub-optimal solutions. To tackle these drawbacks, this article develops a unified neural divide-and-conquer framework (i.e., UDC) for solving general large-scale CO problems. UDC offers a Divide-Conquer-Reunion (DCR) training method to eliminate the negative impact of a sub-optimal dividing policy. Employing a high-efficiency Graph Neural Network (GNN) for global instance dividing and a fixed-length sub-path solver for conquering divided sub-problems, the proposed UDC framework demonstrates extensive applicability, achieving superior performance in 10 representative large-scale CO problems. The code is available at https://github.com/CIAM-Group/NCOcode/tree/main/singleobjective/UDC-Large-scale-CO-master
Eye-gaze Guided Multi-modal Alignment for Medical Representation Learning
Authors: Hanqi Jiang, Wenting Chen, Yiwei Li, Zihao Wu, Xiaowei Yu, Zhengliang Liu, Lei Guo, Dajiang Zhu, Tuo Zhang, Dinggang Shen, Tianming Liu, Xiang Li Chong Ma
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In the medical multi-modal frameworks, the alignment of cross-modality features presents a significant challenge. However, existing works have learned features that are implicitly aligned from the data, without considering the explicit relationships in the medical context. This data-reliance may lead to low generalization of the learned alignment relationships. In this work, we propose the Eye-gaze Guided Multi-modal Alignment (EGMA) framework to harness eye-gaze data for better alignment of medical visual and textual features. We explore the natural auxiliary role of radiologists' eye-gaze data in aligning medical images and text, and introduce a novel approach by using eye-gaze data, collected synchronously by radiologists during diagnostic evaluations. We conduct downstream tasks of image classification and image-text retrieval on four medical datasets, where EGMA achieved state-of-the-art performance and stronger generalization across different datasets. Additionally, we explore the impact of varying amounts of eye-gaze data on model performance, highlighting the feasibility and utility of integrating this auxiliary data into multi-modal alignment framework.
Federated Ensemble-Directed Offline Reinforcement Learning
Authors: Nitin Ragothaman, Dileep Kalathil, Srinivas Shakkottai Desik Rengarajan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider the problem of federated offline reinforcement learning (RL), a scenario under which distributed learning agents must collaboratively learn a high-quality control policy only using small pre-collected datasets generated according to different unknown behavior policies. Na\"{i}vely combining a standard offline RL approach with a standard federated learning approach to solve this problem can lead to poorly performing policies.  In response, we develop the Federated Ensemble-Directed Offline Reinforcement Learning  Algorithm (FEDORA), which distills the collective wisdom of the clients using an ensemble learning approach.  We develop the FEDORA codebase to utilize distributed compute resources on a federated learning platform. We show that FEDORA significantly outperforms other approaches, including offline RL over the combined data pool, in various complex continuous control environments and real-world datasets. Finally, we demonstrate the performance of FEDORA in the real-world on a mobile robot. We provide our code and a video of our experiments at \url{https://github.com/DesikRengarajan/FEDORA}.
Linking In-context Learning in Transformers to Human Episodic Memory
Authors: Corey Y Zhou, Marcus K. Benna, Marcelo G. Mattar Li Ji-An
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Understanding connections between artificial and biological intelligent systems can reveal fundamental principles of general intelligence. While many artificial intelligence models have a neuroscience counterpart, such connections are largely missing in Transformer models and the self-attention mechanism. Here, we examine the relationship between interacting attention heads and human episodic memory. We focus on induction heads, which contribute to in-context learning in Transformer-based large language models (LLMs). We demonstrate that induction heads are behaviorally, functionally, and mechanistically similar to the contextual maintenance and retrieval (CMR) model of human episodic memory. Our analyses of LLMs pre-trained on extensive text data show that CMR-like heads often emerge in the intermediate and late layers, qualitatively mirroring human memory biases. The ablation of CMR-like heads suggests their causal role in in-context learning. Our findings uncover a parallel between the computational mechanisms of LLMs and human memory, offering valuable insights into both research fields.
Data-Efficient Operator Learning via Unsupervised Pretraining and In-Context Learning
Authors: Jialin Song, Pu Ren, Shashank Subramanian, Dmitriy Morozov, Michael W. Mahoney Wuyang Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent years have witnessed the promise of coupling machine learning methods and physical domain-specific insights for solving scientific problems based on partial differential equations (PDEs).  However, being data-intensive, these methods still require a large amount of PDE data. This reintroduces the need for expensive numerical PDE solutions, partially undermining the original goal of avoiding these expensive simulations. In this work, seeking data efficiency, we design unsupervised pretraining for PDE operator learning. To reduce the need for training data with heavy simulation costs, we mine unlabeled PDE data without simulated solutions,and we pretrain neural operators with physics-inspired reconstruction-based proxy tasks. To improve out-of-distribution performance, we further assist neural operators in flexibly leveraging a similarity-based method that learns in-context examples, without incurring extra training costs or designs. Extensive empirical evaluations on a diverse set of PDEs demonstrate that our method is highly data-efficient, more generalizable, and even outperforms conventional vision-pretrained models. We provide our code at https://github.com/delta-lab-ai/dataefficientnopt.
IMAGPose: A Unified Conditional Framework for Pose-Guided Person Generation
Authors: Jinhui Tang Fei Shen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models represent a promising avenue for image generation, having demonstrated competitive performance in pose-guided person image generation. However, existing methods are limited to generating target images from a source image and a target pose, overlooking two critical user scenarios: generating multiple target images with different poses simultaneously and generating target images from multi-view source images.To overcome these limitations, we propose IMAGPose, a unified conditional framework for pose-guided image generation, which incorporates three pivotal modules: a feature-level conditioning (FLC) module, an image-level conditioning (ILC) module, and a cross-view attention (CVA) module. Firstly, the FLC module combines the low-level texture feature from the VAE encoder with the high-level semantic feature from the image encoder, addressing the issue of missing detail information due to the absence of a dedicated person image feature extractor. Then, the ILC module achieves an alignment of images and poses to adapt to flexible and diverse user scenarios by injecting a variable number of source image conditions and introducing a masking strategy.Finally, the CVA module introduces decomposing global and local cross-attention, ensuring local fidelity and global consistency of the person image when multiple source image prompts. The three modules of IMAGPose work together to unify the task of person image generation under various user scenarios.Extensive experiment results demonstrate the consistency and photorealism of our proposed IMAGPose under challenging user scenarios. The code and model will be available at https://github.com/muzishen/IMAGPose.
Supervised Kernel Thinning
Authors: Kyuseong Choi, Raaz Dwivedi Albert Gong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The kernel thinning algorithm of Dwivedi & Mackey (2024) provides a better-than-i.i.d. compression of a generic set of points. By generating high-fidelity coresets of size significantly smaller than the input points, KT is known to speed up unsupervised tasks like Monte Carlo integration, uncertainty quantification, and non-parametric hypothesis testing, with minimal loss in statistical accuracy. In this work, we generalize the KT algorithm to speed up supervised learning problems involving kernel methods. Specifically, we combine two classical algorithms---Nadaraya-Watson (NW) regression or kernel smoothing, and kernel ridge regression (KRR)---with KT to provide a quadratic speed-up in both training and inference times. We show how distribution compression with KT in each setting reduces to constructing an appropriate kernel, and introduce the Kernel-Thinned NW and Kernel-Thinned KRR estimators. We prove that KT-based regression estimators enjoy significantly superior computational efficiency over the full-data estimators and improved statistical efficiency over i.i.d. subsampling of the training data. En route, we also provide a novel multiplicative error guarantee for compressing with KT.  We validate our design choices with both simulations and real data experiments.
Cell ontology guided transcriptome foundation model
Authors: Zhihao Zhan, Zuobai Zhang, Manqi Zhou, Jianan Zhao, Boyu Han, Yue Li, Jian Tang Xinyu Yuan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transcriptome foundation models (TFMs) hold great promises of deciphering the transcriptomic language that dictate diverse cell functions by self-supervised learning on large-scale single-cell gene expression data, and ultimately unraveling the complex mechanisms of human diseases. However, current TFMs treat cells as independent samples and ignore the taxonomic relationships between cell types, which are available in cell ontology graphs. We argue that effectively leveraging this ontology information during the TFM pre-training can improve learning biologically meaningful gene co-expression patterns while preserving TFM as a general purpose foundation model for downstream zero-shot and fine-tuning tasks. To this end, we present single cell, Cell-ontology guided TFM (scCello). We introduce cell-type coherence loss and ontology alignment loss, which are minimized along with the masked gene expression prediction loss during the pre-training. The novel loss component guide scCello to learn the cell-type-specific representation and the structural relation between cell types from the cell ontology graph, respectively. We pre-trained scCello on 22 million cells from CellxGene database leveraging their cell-type labels mapped to the cell ontology graph from Open Biological and Biomedical Ontology Foundry. Our TFM demonstrates competitive generalization and transferability performance over the existing TFMs on biologically important tasks including identifying novel cell types of unseen cells, prediction of cell-type-specific marker genes, and cancer drug responses. Source code and modelweights are available at https://github.com/DeepGraphLearning/scCello.