mtybilly/Instruct2DS huggingface dataset:
Knowledge Graph Completion by Intermediate Variables Regularization
Authors: Yixin Cao Changyi Xiao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Knowledge graph completion (KGC) can be framed as a 3-order binary tensor completion task. Tensor decomposition-based (TDB) models have demonstrated strong performance in KGC. In this paper, we provide a summary of existing TDB models and derive a general form for them, serving as a foundation for further exploration of TDB models. Despite the expressiveness of TDB models, they are prone to overfitting. Existing regularization methods merely minimize the norms of embeddings to regularize the model, leading to suboptimal performance. Therefore, we propose a novel regularization method for TDB models that addresses this limitation. The regularization is applicable to most TDB models and ensures tractable computation. Our method minimizes the norms of intermediate variables involved in the different ways of computing the predicted tensor. To support our regularization method, we provide a theoretical analysis that proves its effect in promoting low trace norm of the predicted tensor to reduce overfitting. Finally, we conduct experiments to verify the effectiveness of our regularization technique as well as the reliability of our theoretical analysis. The code is available at https://github.com/changyi7231/IVR.
Scaling laws for learning with real and surrogate data
Authors: Andrea Montanari, Eren Sasoglu Ayush Jain
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Collecting large quantities of high-quality data can be  prohibitively expensive or impractical, and a bottleneck in machine learning. One may instead augment a small set of $n$ data points from the target distribution with data from more accessible sources, e.g. data collected under different circumstances or synthesized by generative models. We refer to such data  as `surrogate data'. We study a weighted empirical risk minimization (ERM) approach for integrating surrogate data into training. We analyze mathematically this method under several classical statistical models, and validate our findings empirically on datasets from different domains. Our main findings are: $(i)$ Integrating surrogate data can significantly reduce the test error on the original distribution. Surprisingly, this can happen even when the surrogate data is unrelated to the original ones. We trace back this behavior to the classical Stein's paradox. $(ii)$ In order to reap the benefit of surrogate data, it is crucial to use optimally weighted ERM. $(iii)$ The test error of models trained on mixtures of real and surrogate data is approximately described by a scaling law. This scaling law can be used to predict the optimal weighting scheme, and to choose the amount of surrogate data to add.
Towards Unified Multimodal Editing with Enhanced Knowledge Collaboration
Authors: Zhaoyu Fan, Juncheng Li, Qifan Yu, Hao Fei, Siliang Tang, Richang Hong, Hanwang Zhang, Qianru Sun Kaihang Pan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The swift advancement in Multimodal LLMs (MLLMs) also presents significant challenges for effective knowledge editing. Current methods, including intrinsic knowledge editing and external knowledge resorting, each possess strengths and weaknesses, struggling to balance the desired properties of reliability, generality, and locality when applied to MLLMs. In this paper, we propose \textbf{UniKE}, a novel multimodal editing method that establishes a unified perspective and paradigm for intrinsic knowledge editing and external knowledge resorting. Both types of knowledge are conceptualized as vectorized key-value memories, with the corresponding editing processes resembling the assimilation and accommodation phases of human cognition, conducted at the same semantic levels.  Within such a unified framework, we further promote knowledge collaboration by disentangling the knowledge representations into the semantic and truthfulness spaces. Extensive experiments validate the effectiveness of our method, which ensures that the post-edit MLLM simultaneously maintains excellent reliability, generality, and locality. The code for UniKE is available at https://github.com/beepkh/UniKE.
StoryDiffusion: Consistent Self-Attention for Long-Range Image and Video Generation
Authors: Daquan Zhou, Ming-Ming Cheng, Jiashi Feng, Qibin Hou Yupeng Zhou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: For recent diffusion-based generative models, maintaining consistent content across a series of generated images, especially those containing subjects and complex details, presents a significant challenge. In this paper, we propose a simple but effective self-attention mechanism, termed Consistent Self-Attention, that boosts the consistency between the generated images. It can be used to augment pre-trained diffusion-based text-to-image models in a zero-shot manner. Based on the images with consistent content, we further show that our method can be extended to long range video generation by introducing a semantic space temporal motion prediction module, named Semantic Motion Predictor. It is trained to estimate the motion conditions between two provided images in the semantic spaces. This module converts the generated sequence of images into videos with smooth transitions and consistent subjects that are more stable than the modules based on latent spaces only, especially in the context of long video generation. By merging these two novel components, our framework, referred to as StoryDiffusion, can describe a text-based story with consistent images or videos encompassing a rich variety of contents. The proposed StoryDiffusion encompasses pioneering explorations in visual story generation with the presentation of images and videos, which we hope could inspire more research from the aspect of architectural modifications.
Reward Machines for Deep RL in Noisy and Uncertain Environments
Authors: Zizhao Chen, Toryn Q. Klassen, Pashootan Vaezipoor, Rodrigo Toro Icarte, Sheila A. McIlraith Andrew C. Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Reward Machines provide an automaton-inspired structure for specifying instructions, safety constraints, and other temporally extended reward-worthy behaviour. By exposing the underlying structure of a reward function, they enable the decomposition of an RL task, leading to impressive gains in sample efficiency. Although Reward Machines and similar formal specifications have a rich history of application towards sequential decision-making problems, prior frameworks have traditionally ignored ambiguity and uncertainty when interpreting the domain-specific vocabulary forming the building blocks of the reward function. Such uncertainty critically arises in many real-world settings due to factors like partial observability or noisy sensors. In this work, we explore the use of Reward Machines for Deep RL in noisy and uncertain environments. We characterize this problem as a POMDP and propose a suite of RL algorithms that exploit task structure under uncertain interpretation of the domain-specific vocabulary. Through theory and experiments, we expose pitfalls in naive approaches to this problem while simultaneously demonstrating how task structure can be successfully leveraged under noisy interpretations of the vocabulary.
The motion planning neural circuit in goal-directed navigation as Lie group operator search
Authors: Ying Nian Wu, Si Wu, Wen-Hao Zhang Junfeng Zuo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The information processing in the brain and embodied agents form a sensory-action loop to interact with the world. An important step in the loop is motion planning which selects motor actions based on the current world state and task need. In goal-directed navigation, the brain chooses and generates motor actions to bring the current state into the goal state. It is unclear about the neural circuit mechanism of motor action selection, nor its underlying theory. The present study formulates the motion planning as a Lie group operator search problem, and uses the 1D rotation group as an example to provide insight into general operator search in neural circuits. We found the abstract group operator search can be implemented by a two-layer feedforward circuit utilizing circuit motifs of connection phase shift, nonlinear activation function, and pooling, similar to Drosophila's goal-directed navigation neural circuits. And the computational complexity of the feedforward circuit can be even lower than common signal processing algorithms in certain conditions. We also provide geometric interpretations of circuit computation in the group representation space. The feedforward motion planning circuit is further combined with sensory and motor circuit modules into a full circuit of the sensory-action loop implementing goal-directed navigation. Our work for the first time links the abstract operator search with biological neural circuits.
Trajectory Diffusion for ObjectGoal Navigation
Authors: Sixian Zhang, Xinhang Song, Xiaorong Qin, Shuqiang Jiang Xinyao Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Object goal navigation requires an agent to navigate to a specified object in an unseen environment based on visual observations and user-specified goals. Human decision-making in navigation is sequential, planning a most likely sequence of actions toward the goal. However, existing ObjectNav methods, both end-to-end learning methods and modular methods, rely on single-step planning. They output the next action based on the current model input, which easily overlooks temporal consistency and leads to myopic planning.To this end, we aim to learn sequence planning for ObjectNav. Specifically, we propose trajectory diffusion to learn the distribution of trajectory sequences conditioned on the current observation and the goal. We utilize DDPM and automatically collected optimal trajectory segments to train the trajectory diffusion.Once the trajectory diffusion model is trained, it can generate a temporally coherent sequence of future trajectory for agent based on its current observations.Experimental results on the Gibson and MP3D datasets demonstrate that the generated trajectories effectively guide the agent, resulting in more accurate and efficient navigation.
Effective Rank Analysis and Regularization for Enhanced 3D Gaussian Splatting
Authors: Susung Hong, Sungwon Hwang, Jaeseong Lee, Jaegul Choo, Jin-Hwa Kim Junha Hyung
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D reconstruction from multi-view images is one of the fundamental challenges in computer vision and graphics. Recently, 3D Gaussian Splatting (3DGS) has emerged as a promising technique capable of real-time rendering with high-quality 3D reconstruction. This method utilizes 3D Gaussian representation and tile-based splatting techniques, bypassing the expensive neural field querying. Despite its potential, 3DGS encounters challenges such as needle-like artifacts, suboptimal geometries, and inaccurate normals caused by the Gaussians converging into anisotropic shapes with one dominant variance. We propose using the effective rank analysis to examine the shape statistics of 3D Gaussian primitives, and identify the Gaussians indeed converge into needle-like shapes with the effective rank 1. To address this, we introduce the effective rank as a regularization, which constrains the structure of the Gaussians. Our new regularization method enhances normal and geometry reconstruction while reducing needle-like artifacts. The approach can be integrated as an add-on module to other 3DGS variants, improving their quality without compromising visual fidelity. The project page is available at https://junhahyung.github.io/erankgs.github.io/.
Generating Origin-Destination Matrices in Neural Spatial Interaction Models
Authors: Mark Girolami, Theodoros Damoulas Ioannis Zachos
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Agent-based models (ABMs) are proliferating as decision-making tools across policy areas in transportation, economics, and epidemiology. In these models, a central object of interest is the discrete origin-destination matrix which captures spatial interactions and agent trip counts between locations. Existing approaches resort to continuous approximations of this matrix and subsequent ad-hoc discretisations in order to perform ABM simulation and calibration. This impedes conditioning on partially observed summary statistics, fails to explore the multimodal matrix distribution over a discrete combinatorial support, and incurs discretisation errors. To address these challenges, we introduce a computationally efficient framework that scales linearly with the number of origin-destination pairs, operates directly on the discrete combinatorial space, and learns the agents' trip intensity through a neural differential equation that embeds spatial interactions. Our approach outperforms the prior art in terms of reconstruction error and ground truth matrix coverage, at a fraction of the computational cost. We demonstrate these benefits in two large-scale spatial mobility ABMs in Washington, DC and Cambridge, UK.
Hamiltonian Score Matching and Generative Flows
Authors: Yilun Xu, Tommi Jaakkola Peter Holderrieth
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Classical Hamiltonian mechanics has been widely used in machine learning in the form of Hamiltonian Monte Carlo for applications with predetermined force fields. In this paper, we explore the potential of deliberately designing force fields for Hamiltonian systems, introducing Hamiltonian velocity predictors (HVPs) as a core tool for constructing energy-based and generative models. We present two innovations: Hamiltonian Score Matching (HSM), which utilizes score functions to augment data by simulating Hamiltonian trajectories, and Hamiltonian Generative Flows (HGFs), a novel generative model that encompasses diffusion models and OT-flow matching as HGFs with zero force fields. We showcase the extended design space of force fields by introducing Oscillation HGFs, a generative model inspired by harmonic oscillators. Our experiments demonstrate that HSM and HGFs rival leading score-matching and generative modeling techniques. Overall, our work systematically elucidates the synergy between Hamiltonian dynamics, force fields, and generative models, thereby opening new avenues for applications of machine learning in physical sciences and dynamical systems.
RoPINN: Region Optimized Physics-Informed Neural Networks
Authors: Huakun Luo, Yuezhou Ma, Jianmin Wang, Mingsheng Long Haixu Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Physics-informed neural networks (PINNs) have been widely applied to solve partial differential equations (PDEs) by enforcing outputs and gradients of deep models to satisfy target equations. Due to the limitation of numerical computation, PINNs are conventionally optimized on finite selected points. However, since PDEs are usually defined on continuous domains, solely optimizing models on scattered points may be insufficient to obtain an accurate solution for the whole domain. To mitigate this inherent deficiency of the default scatter-point optimization, this paper proposes and theoretically studies a new training paradigm as region optimization. Concretely, we propose to extend the optimization process of PINNs from isolated points to their continuous neighborhood regions, which can theoretically decrease the generalization error, especially for hidden high-order constraints of PDEs. A practical training algorithm, Region Optimized PINN (RoPINN), is seamlessly derived from this new paradigm, which is implemented by a straightforward but effective Monte Carlo sampling method. By calibrating the sampling process into trust regions, RoPINN finely balances optimization and generalization error. Experimentally, RoPINN consistently boosts the performance of diverse PINNs on a wide range of PDEs without extra backpropagation or gradient calculation. Code is available at this repository: https://github.com/thuml/RoPINN.
NeuralClothSim: Neural Deformation Fields Meet the Thin Shell Theory
Authors: Marc Habermann, Christian Theobalt, Vladislav Golyanik Navami Kairanda
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite existing 3D cloth simulators producing realistic results, they predominantly operate on discrete surface representations (e.g. points and meshes) with a fixed spatial resolution, which often leads to large memory consumption and resolution-dependent simulations. Moreover, back-propagating gradients through the existing solvers is difficult and they hence cannot be easily integrated into modern neural architectures. In response, this paper re-thinks physically plausible cloth simulation: We propose NeuralClothSim, i.e., a new quasistatic cloth simulator using thin shells, in which surface deformation is encoded in neural network weights in form of a neural field. Our memory-efficient solver operates on a new continuous coordinate-based surface representation called neural deformation fields (NDFs); it supervises NDF equilibria with the laws of the non-linear Kirchhoff-Love shell theory with a non-linear anisotropic material model. NDFs are adaptive: They 1) allocate their capacity to the deformation details and 2) allow surface state queries at arbitrary spatial resolutions without re-training. We show how to train NeuralClothSim while imposing hard boundary conditions and demonstrate multiple applications, such as material interpolation and simulation editing. The experimental results highlight the effectiveness of our continuous neural formulation.
Skill-aware Mutual Information Optimisation for Zero-shot Generalisation in Reinforcement Learning
Authors: Mhairi Dunion, Xin Li, Stefano V. Albrecht Xuehui Yu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Meta-Reinforcement Learning (Meta-RL) agents can struggle to operate across tasks with varying environmental features that require different optimal skills (i.e., different modes of behaviour). Using context encoders based on contrastive learning to enhance the generalisability of Meta-RL agents is now widely studied but faces challenges such as the requirement for a large sample size, also referred to as the $\log$-$K$ curse. To improve RL generalisation to different tasks, we first introduce Skill-aware Mutual Information (SaMI), an optimisation objective that aids in distinguishing context embeddings according to skills, thereby equipping RL agents with the ability to identify and execute different skills across tasks. We then propose Skill-aware Noise Contrastive Estimation (SaNCE), a $K$-sample estimator used to optimise the SaMI objective. We provide a framework for equipping an RL agent with SaNCE in practice and conduct experimental validation on modified MuJoCo and Panda-gym benchmarks. We empirically find that RL agents that learn by maximising SaMI achieve substantially improved zero-shot generalisation to unseen tasks. Additionally, the context encoder trained with SaNCE demonstrates greater robustness to a reduction in the number of available samples, thus possessing the potential to overcome the $\log$-$K$ curse.
Tri-Level Navigator: LLM-Empowered Tri-Level Learning for Time Series OOD Generalization
Authors: Kai Yang, Yang Jiao Chengtao Jian
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Out-of-Distribution (OOD) generalization in machine learning is a burgeoning area of study. Its primary goal is to enhance the adaptability and resilience of machine learning models when faced with new, unseen, and potentially adversarial data that significantly diverges from their original training datasets. In this paper, we investigate time series OOD generalization via pre-trained Large Language Models (LLMs). We first propose a novel \textbf{T}ri-level learning framework for \textbf{T}ime \textbf{S}eries \textbf{O}OD generalization, termed TTSO, which considers both sample-level and group-level uncertainties. This formula offers a fresh theoretic perspective for formulating and analyzing OOD generalization problem. In addition, we provide a theoretical analysis to justify this method is well motivated. We then develop a stratified localization algorithm tailored for this tri-level optimization problem, theoretically demonstrating the guaranteed convergence of the proposed algorithm. Our analysis also reveals that the iteration complexity to obtain an $\epsilon$-stationary point is bounded by O($\frac{1}{\epsilon^{2}}$). Extensive experiments on real-world datasets have been conducted to elucidate the effectiveness of the proposed method.
RestoreAgent: Autonomous Image Restoration Agent via Multimodal Large Language Models
Authors: Wenbo Li, Jinjin Gu, Jingjing Ren, Sixiang Chen, Tian Ye, Renjing Pei, Kaiwen Zhou, Fenglong Song, Lei Zhu Haoyu Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Natural images captured by mobile devices often suffer from multiple types of degradation, such as noise, blur, and low light. Traditional image restoration methods require manual selection of specific tasks, algorithms, and execution sequences, which is time-consuming and may yield suboptimal results. All-in-one models, though capable of handling multiple tasks, typically support only a limited range and often produce overly smooth, low-fidelity outcomes due to their broad data distribution fitting. To address these challenges, we first define a new pipeline for restoring images with multiple degradations, and then introduce RestoreAgent, an intelligent image restoration system leveraging multimodal large language models. RestoreAgent autonomously assesses the type and extent of degradation in input images and performs restoration through (1) determining the appropriate restoration tasks, (2) optimizing the task sequence, (3) selecting the most suitable models, and (4) executing the restoration. Experimental results demonstrate the superior performance of RestoreAgent in handling complex degradation, surpassing human experts. Furthermore, the system’s modular design facilitates the fast integration of new tasks and models.
How Molecules Impact Cells: Unlocking Contrastive PhenoMolecular Retrieval
Authors: Puria Azadi, Karush Suri, Frederik Wenkel, Ali Bashashati, Maciej Sypetkowski, Dominique Beaini Philip Fradkin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Predicting molecular impact on cellular function is a core challenge in therapeutic design. Phenomic experiments, designed to capture cellular morphology, utilize microscopy based techniques and demonstrate a high throughput solution for uncovering molecular impact on the cell. In this work, we learn a joint latent space between molecular structures and microscopy phenomic experiments, aligning paired samples with contrastive learning. Specifically, we study the problem of Contrastive PhenoMolecular Retrieval, which consists of zero-shot molecular structure identification conditioned on phenomic experiments. We assess challenges in multi-modal learning of phenomics and molecular modalities such as experimental batch effect, inactive molecule perturbations, and encoding perturbation concentration. We demonstrate improved multi-modal learner retrieval through (1) a uni-modal pre-trained phenomics model, (2) a novel inter sample similarity aware loss, and (3) models conditioned on a representation of molecular concentration. Following this recipe, we propose MolPhenix, a molecular phenomics model. MolPhenix leverages a pre-trained phenomics model to demonstrate significant performance gains across perturbation concentrations, molecular scaffolds, and activity thresholds. In particular, we demonstrate an 8.1 times improvement in zero shot molecular retrieval of active molecules over the previous state-of-the-art, reaching 77.33% in top-1% accuracy. These results open the door for machine learning to be applied in virtual phenomics screening, which can significantly benefit drug discovery applications.
Aligning Model Properties via Conformal Risk Control
Authors: Jacqueline Jil Vallon, Mohsen Bayati William Overman
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: AI model alignment is crucial due to inadvertent biases in training data and the underspecified machine learning pipeline, where models with excellent test metrics may not meet end-user requirements. While post-training alignment via human feedback shows promise, these methods are often limited to generative AI settings where humans can interpret and provide feedback on model outputs. In traditional non-generative settings with numerical or categorical outputs, detecting misalignment through single-sample outputs remains challenging, and enforcing alignment during training requires repeating costly training processes.In this paper we consider an alternative strategy. We propose interpreting model alignment through property testing, defining an aligned model $f$ as one belonging to a subset $\mathcal{P}$ of functions that exhibit specific desired behaviors. We focus on post-processing a pre-trained model $f$ to better align with $\mathcal{P}$ using conformal risk control. Specifically, we develop a general procedure for converting queries for testing a given property $\mathcal{P}$ to a collection of loss functions suitable for use in a conformal risk control algorithm. We prove a probabilistic guarantee that the resulting conformal interval around $f$ contains a function approximately satisfying $\mathcal{P}$. We exhibit applications of our methodology on a collection of supervised learning datasets for (shape-constrained) properties such as monotonicity and concavity. The general procedure is flexible and can be applied to a wide range of desired properties. Finally, we prove that pre-trained models will always require alignment techniques even as model sizes or training data increase, as long as the training data contains even small biases.
GAVEL: Generating Games via Evolution and Language Models
Authors: Alexander G. Padula, Matthew Stephenson, Éric Piette, Dennis J.N.J. Soemers, Julian Togelius Graham Todd
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Automatically generating novel and interesting games is a complex task. Challenges include representing game rules in a computationally workable form, searching through the large space of potential games under most such representations, and accurately evaluating the originality and quality of previously unseen games. Prior work in automated game generation has largely focused on relatively restricted rule representations and relied on domain-specific heuristics. In this work, we explore the generation of novel games in the comparatively expansive Ludii game description language, which encodes the rules of over 1000 board games in a variety of styles and modes of play. We draw inspiration from recent advances in large language models and evolutionary computation in order to train a model that intelligently mutates and recombines games and mechanics expressed as code. We demonstrate both quantitatively and qualitatively that our approach is capable of generating new and interesting games, including in regions of the potential rules space not covered by existing games in the Ludii dataset.
SegVol: Universal and Interactive Volumetric Medical Image Segmentation
Authors: Fan Bai, Tiejun Huang, Bo Zhao Yuxin Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Precise image segmentation provides clinical study with instructive information. Despite the remarkable progress achieved in medical image segmentation, there is still an absence of a 3D foundation segmentation model that can segment a wide range of anatomical categories with easy user interaction. In this paper, we propose a 3D foundation segmentation model, named SegVol, supporting universal and interactive volumetric medical image segmentation. By scaling up training data to 90K unlabeled Computed Tomography (CT) volumes and 6K labeled CT volumes, this foundation model supports the segmentation of over 200 anatomical categories using semantic and spatial prompts. To facilitate efficient and precise inference on volumetric images, we design a zoom-out-zoom-in mechanism. Extensive experiments on 22 anatomical segmentation tasks verify that SegVol outperforms the competitors in 19 tasks, with improvements up to 37.24\% compared to the runner-up methods. We demonstrate the effectiveness and importance of specific designs by ablation study. We expect this foundation model can promote the development of volumetric medical image analysis. The model and code are publicly available at https://github.com/BAAI-DCAI/SegVol.
PowerGraph: A power grid benchmark dataset for graph neural networks
Authors: Kenza Amara, Blazhe Gjorgiev, Mennatallah El-Assady, Giovanni Sansavini Anna Varbella
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Power grids are critical infrastructures of paramount importance to modern society and, therefore, engineered to operate under diverse conditions and failures. The ongoing energy transition poses new challenges for the decision-makers and system operators. Therefore, we must develop grid analysis algorithms to ensure reliable operations. These key tools include power flow analysis and system security analysis, both needed for effective operational and strategic planning. The literature review shows a growing trend of machine learning (ML) models that perform these analyses effectively. In particular, Graph Neural Networks (GNNs) stand out in such applications because of the graph-based structure of power grids. However, there is a lack of publicly available graph datasets for training and benchmarking ML models in electrical power grid applications. First, we present PowerGraph, which comprises GNN-tailored datasets for i) power flows, ii) optimal power flows, and iii) cascading failure analyses of power grids. Second, we provide ground-truth explanations for the cascading failure analysis. Finally, we perform a complete benchmarking of GNN methods for node-level and graph-level tasks and explainability. Overall, PowerGraph is a multifaceted GNN dataset for diverse tasks that includes power flow and fault scenarios with real-world explanations, providing a valuable resource for developing improved GNN models for node-level, graph-level tasks and explainability methods in power system modeling. The dataset is available at https://figshare.com/articles/dataset/PowerGraph/22820534 and the code at https://github.com/PowerGraph-Datasets.
Emotion-LLaMA: Multimodal Emotion Recognition and Reasoning with Instruction Tuning
Authors: Zhi-Qi Cheng, Jun-Yan He, Jingdong Sun, Kai Wang, Yuxiang Lin, Zheng Lian, Xiaojiang Peng, Alexander G. Hauptmann Zebang Cheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Accurate emotion perception is crucial for various applications, including human-computer interaction, education, and counseling.However, traditional single-modality approaches often fail to capture the complexity of real-world emotional expressions, which are inherently multimodal. Moreover, existing Multimodal Large Language Models (MLLMs) face challenges in integrating audio and recognizing subtle facial micro-expressions. To address this, we introduce the MERR dataset, containing 28,618 coarse-grained and 4,487 fine-grained annotated samples across diverse emotional categories. This dataset enables models to learn from varied scenarios and generalize to real-world applications. Furthermore, we propose Emotion-LLaMA, a model that seamlessly integrates audio, visual, and textual inputs through emotion-specific encoders. By aligning features into a shared space and employing a modified LLaMA model with instruction tuning, Emotion-LLaMA significantly enhances both emotional recognition and reasoning capabilities. Extensive evaluations show Emotion-LLaMA outperforms other MLLMs, achieving top scores in Clue Overlap (7.83) and Label Overlap (6.25) on EMER, an F1 score of 0.9036 on MER2023-SEMI challenge, and the highest UAR (45.59) and WAR (59.37) in zero-shot evaluations on DFEW dataset.
Diffusion4D: Fast Spatial-temporal Consistent 4D generation via Video Diffusion Models
Authors: Yuyang Yin, Dejia Xu, Hanxue Liang, Zhangyang Wang, Konstantinos N. Plataniotis, Yao Zhao, Yunchao Wei Hanwen Liang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The availability of large-scale multimodal datasets and advancements in diffusion models have significantly accelerated progress in 4D content generation. Most prior approaches rely on multiple images or video diffusion models, utilizing score distillation sampling for optimization or generating pseudo novel views for direct supervision. However, these methods are hindered by slow optimization speeds and multi-view inconsistency issues. Spatial and temporal consistency in 4D geometry has been extensively explored respectively in 3D-aware diffusion models and traditional monocular video diffusion models. Building on this foundation, we propose a strategy to migrate the temporal consistency in video diffusion models to the spatial-temporal consistency required for 4D generation. Specifically, we present a novel framework, \textbf{Diffusion4D}, for efficient and scalable 4D content generation. Leveraging a meticulously curated dynamic 3D dataset, we develop a 4D-aware video diffusion model capable of synthesizing orbital views of dynamic 3D assets. To control the dynamic strength of these assets, we introduce a 3D-to-4D motion magnitude metric as guidance. Additionally, we propose a novel motion magnitude reconstruction loss and 3D-aware classifier-free guidance to refine the learning and generation of motion dynamics. After obtaining orbital views of the 4D asset, we perform explicit 4D construction with Gaussian splatting in a coarse-to-fine manner. Extensive experiments demonstrate that our method surpasses prior state-of-the-art techniques in terms of generation efficiency and 4D geometry consistency across various prompt modalities.
Hydra: Bidirectional State Space Models Through Generalized Matrix Mixers
Authors: Aakash Lahoti, Ratish Puduppully, Tri Dao, Albert Gu Sukjun Hwang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A wide array of sequence models are built on a framework modeled after Transformers, comprising alternating sequence mixer and channel mixer layers.  This paper studies a unifying matrix mixer view of sequence mixers that can be conceptualized as a linear map on the input sequence. This framework encompasses a broad range of well-known sequence models, including the self-attention of Transformers as well as recent strong alternatives such as structured state space models (SSMs), and allows understanding downstream characteristics such as efficiency and expressivity through properties of their structured matrix class. We identify a key axis of matrix parameterizations termed sequence alignment, which increases the flexibility and performance of matrix mixers, providing insights into the strong performance of Transformers and recent SSMs such as Mamba. Furthermore, the matrix mixer framework offers a systematic approach to developing sequence mixers with desired properties, allowing us to develop several new sub-quadratic sequence models. In particular, we propose a natural bidirectional extension of the Mamba model (Hydra), parameterized as a quasiseparable matrix mixer, which demonstrates superior performance over other sequence models including Transformers on non-causal tasks. As a drop-in replacement for attention layers, \name outperforms BERT by 0.8 points on the GLUE benchmark and ViT by 2% Top-1 accuracy on ImageNet.
e-COP : Episodic Constrained Optimization of Policies
Authors: Rahul Jain, Deepak Ramachandran, Sahil Singla Akhil Agnihotri
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we present the e-COP algorithm, the first policy optimization algorithm for constrained Reinforcement Learning (RL) in episodic (finite horizon) settings. Such formulations are applicable when there are separate sets of optimization criteria and constraints on a system's behavior. We approach this problem by first establishing a policy difference lemma for the episodic setting, which provides the theoretical foundation for the algorithm. Then, we propose to combine a set of established and novel solution ideas to yield the e-COP  algorithm that is easy to implement and numerically stable, and provide a theoretical guarantee on optimality under certain scaling assumptions. Through extensive empirical analysis using benchmarks in the Safety Gym suite, we show that our algorithm has similar or better performance than SoTA (non-episodic) algorithms adapted for the episodic setting. The scalability of the algorithm  opens the door to its application in safety-constrained Reinforcement Learning from Human Feedback for Large Language or Diffusion Models.
Fine-Tuning Large Vision-Language Models as Decision-Making Agents via Reinforcement Learning
Authors: Hao Bai, Zipeng Lin, Jiayi Pan, Shengbang Tong, Yifei Zhou, Alane Suhr, Saining Xie, Yann LeCun, Yi Ma, Sergey Levine Yuexiang Zhai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large vision-language models (VLMs) fine-tuned on specialized visual instruction-following data have exhibited impressive language reasoning capabilities across various scenarios. However, this fine-tuning paradigm may not be able to efficiently learn optimal decision-making agents in multi-step goal-directed tasks from interactive environments. To address this challenge, we propose an algorithmic framework that fine-tunes VLMs with reinforcement learning (RL). Specifically, our framework provides a task description and then prompts the VLM to generate chain-of-thought (CoT) reasoning, enabling the VLM to efficiently explore intermediate reasoning steps that lead to the final text-based action. Next, the open-ended text output is parsed into an executable action to interact with the environment to obtain goal-directed task rewards. Finally, our framework uses these task rewards to fine-tune the entire VLM with RL. Empirically, we demonstrate that our proposed framework enhances the decision-making capabilities of VLM agents across various tasks, enabling 7b models to outperform commercial models such as GPT4-V or Gemini. Furthermore, we find that CoT reasoning is a crucial component for performance improvement, as removing the CoT reasoning results in a significant decrease in the overall performance of our method.
RG-SAN: Rule-Guided Spatial Awareness Network for End-to-End 3D Referring Expression Segmentation
Authors: Qi Chen, Jiayi Ji, Haowei Wang, Yiwei Ma, You Huang, Gen Luo, Hao Fei, Xiaoshuai Sun, Rongrong Ji Changli Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D Referring Expression Segmentation (3D-RES) aims to segment 3D objects by correlating referring expressions with point clouds. However, traditional approaches frequently encounter issues like over-segmentation or mis-segmentation, due to insufficient emphasis on spatial information of instances. In this paper, we introduce a Rule-Guided Spatial Awareness Network (RG-SAN) by utilizing solely the spatial information of the target instance for supervision. This approach enables the network to accurately depict the spatial relationships among all entities described in the text, thus enhancing the reasoning capabilities. The RG-SAN consists of the Text-driven Localization Module (TLM) and the Rule-guided Weak Supervision (RWS) strategy. The TLM initially locates all mentioned instances and iteratively refines their positional information. The RWS strategy, acknowledging that only target objects have supervised positional information, employs dependency tree rules to precisely guide the core instance’s positioning. Extensive testing on the ScanRefer benchmark has shown that RG-SAN not only establishes new performance benchmarks, with an mIoU increase of 5.1 points, but also exhibits significant improvements in robustness when processing descriptions with spatial ambiguity. All codes are available at https://github.com/sosppxo/RG-SAN.
Motion Consistency Model: Accelerating Video Diffusion with Disentangled Motion-Appearance Distillation
Authors: Kevin Lin, Zhengyuan Yang, Linjie Li, Jianfeng Wang, Chung-Ching Lin, David Doermann, Junsong Yuan, Lijuan Wang Yuanhao Zhai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image diffusion distillation achieves high-fidelity generation with very few sampling steps. However, directly applying these techniques to video models results in unsatisfied frame quality. This issue arises from the limited frame appearance quality in public video datasets, affecting the performance of both teacher and student video diffusion models. Our study aims to improve video diffusion distillation and meanwhile enabling the student model to improve frame appearance using the abundant high-quality image data. To this end, we propose motion consistency models (MCM), a single-stage video diffusion distillation method that disentangles motion and appearance learning. Specifically, MCM involves a video consistency model that distills motion from the video teacher model, and an image discriminator that boosts frame appearance to match high-quality image data. However, directly combining these components leads to two significant challenges: a conflict in frame learning objectives, where video distillation learns from low-quality video frames while the image discriminator targets high-quality images, and training-inference discrepancies due to the differing quality of video samples used during training and inference. To address these challenges, we introduce disentangled motion distillation and mixed trajectory distillation. The former applies the distillation objective solely to the motion representation, while the latter mitigates training-inference discrepancies by mixing distillation trajectories from both the low- and high-quality video domains. Extensive experiments show that our MCM achieves state-of-the-art video diffusion distillation performance. Additionally, our method can enhance frame quality in video diffusion models, producing frames with high aesthetic value or specific styles.
Motion Graph Unleashed: A Novel Approach to Video Prediction
Authors: Luming Liang, Bohan Tang, Ilya Zharkov, Ulrich Neumann Yiqi Zhong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce motion graph, a novel approach to address the video prediction problem, i.e., predicting future video frames from limited past data. The motion graph transforms patches of video frames into interconnected graph nodes, to comprehensively describe the spatial-temporal relationships among them. This representation overcomes the limitations of existing motion representations such as image differences, optical flow, and motion matrix that either fall short in capturing complex motion patterns or suffer from excessive memory consumption. We further present a video prediction pipeline empowered by motion graph, exhibiting substantial performance improvements and cost reductions. Extensive experiments on various datasets, including UCF Sports, KITTI and Cityscapes, highlight the strong representative ability of motion graph. Especially on UCF Sports, our method matches and outperforms the SOTA methods with a significant reduction in model size by 78% and a substantial decrease in GPU memory utilization by 47%.
Hierarchical Selective Classification
Authors: Ido Galil, Ran El-Yaniv Shani Goren
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Deploying deep neural networks for risk-sensitive tasks necessitates an uncertainty estimation mechanism. This paper introduces hierarchical selective classification, extending selective classification to a hierarchical setting. Our approach leverages the inherent structure of class relationships, enabling models to reduce the specificity of their predictions when faced with uncertainty. In this paper, we first formalize hierarchical risk and coverage, and introduce hierarchical risk-coverage curves. Next, we develop algorithms for hierarchical selective classification (which we refer to as "inference rules"), and propose an efficient algorithm that guarantees a target accuracy constraint with high probability. Lastly, we conduct extensive empirical studies on over a thousand ImageNet classifiers, revealing that training regimes such as CLIP, pretraining on ImageNet21k and knowledge distillation boost hierarchical selective performance.
Reranking Laws for Language Generation: A Communication-Theoretic Perspective
Authors: Haau-Sing Li, André F. T. Martins António Farinhas
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: To ensure large language models (LLMs) are used safely, one must reduce their propensity to hallucinate or to generate unacceptable answers. A simple and often used strategy is to first let the LLM generate multiple hypotheses and then employ a reranker to choose the best one. In this paper, we draw a parallel between this strategy and the use of redundancy to decrease the error rate in noisy communication channels. We conceptualize the generator as a sender transmitting multiple descriptions of a message through parallel noisy channels. The receiver decodes the message by ranking the (potentially corrupted) descriptions and selecting the one found to be most reliable. We provide conditions under which this protocol is asymptotically error-free (i.e., yields an acceptable answer almost surely) even in scenarios where the reranker is imperfect (governed by Mallows or Zipf-Mandelbrot models) and the channel distributions are statistically dependent. We use our framework to obtain reranking laws which we validate empirically on two real-world tasks using LLMs: text-to-code generation with DeepSeek-Coder 7B and machine translation of medical data with TowerInstruct 13B.