GenAI4ELab/papercli-papers huggingface dataset:
P$^2$C$^2$Net: PDE-Preserved Coarse Correction Network for efficient prediction of spatiotemporal dynamics
Authors: Qi Wang; Pu Ren; Hao Zhou; Xin-Yang Liu; Zhiwen Deng; Yi Zhang; Ruizhi Chengze; Hongsheng Liu; Zidong Wang; Jian-Xun Wang; Ji-Rong Wen; Hao Sun; Yang Liu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: When solving partial differential equations (PDEs), classical numerical methods often require fine mesh grids and small time stepping to meet stability, consistency, and convergence conditions, leading to high computational cost. Recently, machine learning has been increasingly utilized to solve PDE problems, but they often encounter challenges related to interpretability, generalizability, and strong dependency on rich labeled data. Hence, we introduce a new PDE-Preserved Coarse Correction Network (P$^2$C$^2$Net) to efficiently solve spatiotemporal PDE problems on coarse mesh grids in small data regimes. The model consists of two synergistic modules: (1) a trainable PDE block that learns to update the coarse solution (i.e., the system state), based on a high-order numerical scheme with boundary condition encoding, and (2) a neural network block that consistently corrects the solution on the fly. In particular, we propose a learnable symmetric Conv filter, with weights shared over the entire model, to accurately estimate the spatial derivatives of PDE based on the neural-corrected system state. The resulting physics-encoded model is capable of handling limited training data (e.g., 3--5 trajectories) and accelerates the prediction of PDE solutions on coarse spatiotemporal grids while maintaining a high accuracy. P$^2$C$^2$Net achieves consistent state-of-the-art performance with over 50\% gain (e.g., in terms of relative prediction error) across four datasets covering complex reaction-diffusion processes and turbulent flows.
A Comprehensive Analysis on the Learning Curve in Kernel Ridge Regression
Authors: Tin Sum Cheng; Aurelien Lucchi; Anastasis Kratsios; David Belius
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: This paper conducts a comprehensive study of the learning curves of kernel ridge regression (KRR) under minimal assumptions.
Our contributions are three-fold: 1) we analyze the role of key properties of the kernel, such as its spectral eigen-decay, the characteristics of the eigenfunctions, and the smoothness of the kernel; 2) we demonstrate the validity of the Gaussian Equivalent Property (GEP), which states that the generalization performance of KRR remains the same when the whitened features are replaced by standard Gaussian vectors, thereby shedding light on the success of previous analyzes under the Gaussian Design Assumption; 3) we derive novel bounds that improve over existing bounds across a broad range of setting such as (in)dependent feature vectors and various combinations of eigen-decay rates in the over/underparameterized regimes.
Excluding the Irrelevant: Focusing Reinforcement Learning through Continuous Action Masking
Authors: Roland Stolz; Hanna Krasowski; Jakob Thumm; Michael Eichelbeck; Philipp Gassert; Matthias Althoff
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Continuous action spaces in reinforcement learning (RL) are commonly defined as multidimensional intervals. While intervals usually reflect the action boundaries for tasks well, they can be challenging for learning because the typically large global action space leads to frequent exploration of irrelevant actions. Yet, little task knowledge can be sufficient to identify significantly smaller state-specific sets of relevant actions. Focusing learning on these relevant actions can significantly improve training efficiency and effectiveness. In this paper, we propose to focus learning on the set of relevant actions and introduce three continuous action masking methods for exactly mapping the action space to the state-dependent set of relevant actions. Thus, our methods ensure that only relevant actions are executed, enhancing the predictability of the RL agent and enabling its use in safety-critical applications. We further derive the implications of the proposed methods on the policy gradient. Using proximal policy optimization ( PPO), we evaluate our methods on four control tasks, where the relevant action set is computed based on the system dynamics and a relevant state set. Our experiments show that the three action masking methods achieve higher final rewards and converge faster than the baseline without action masking.
Only Strict Saddles in the Energy Landscape of Predictive Coding Networks?
Authors: Francesco Innocenti; El Mehdi Achour; Ryan Singh; Christopher Buckley
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Predictive coding (PC) is an energy-based learning algorithm that performs iterative inference over network activities before updating weights. Recent work suggests that PC can converge in fewer learning steps than backpropagation thanks to its inference procedure. However, these advantages are not always observed, and the impact of PC inference on learning is not theoretically well understood. To address this gap, we study the geometry of the PC weight landscape at the inference equilibrium of the network activities. For deep linear networks, we first show that the equilibrated PC energy is equal to a rescaled mean squared error loss with a weight-dependent rescaling. We then prove that many highly degenerate (non-strict) saddles of the loss including the origin become much easier to escape (strict) in the equilibrated energy. Experiments on both linear and non-linear networks strongly validate our theory and further suggest that all the saddles of the equilibrated energy are strict. Overall, this work shows that PC inference makes the loss landscape of feedforward networks more benign and robust to vanishing gradients, while also highlighting the fundamental challenge of scaling PC to very deep models.
Adversarial Schrödinger Bridge Matching
Authors: Nikita Gushchin; Daniil Selikhanovych; Sergei Kholkin; Evgeny Burnaev; Alexander Korotin
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The Schrödinger Bridge (SB) problem offers a powerful framework for combining optimal transport and diffusion models. A promising recent approach to solve the SB problem is the Iterative Markovian Fitting (IMF) procedure, which alternates between Markovian and reciprocal projections of continuous-time stochastic processes. However, the model built by the IMF procedure has a long inference time due to using many steps of numerical solvers for stochastic differential equations. To address this limitation, we propose a novel Discrete-time IMF (D-IMF) procedure in which learning of stochastic processes is replaced by learning just a few transition probabilities in discrete time. Its great advantage is that in practice it can be naturally implemented using the Denoising Diffusion GAN (DD-GAN), an already well-established adversarial generative modeling technique. We show that our D-IMF procedure can provide the same quality of unpaired domain translation as the IMF, using only several generation steps instead of hundreds.
GITA: Graph to Visual and Textual Integration for Vision-Language Graph Reasoning
Authors: Yanbin Wei; Shuai Fu; Weisen Jiang; Zejian Zhang; Zhixiong Zeng; Qi Wu; James Kwok; Yu Zhang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Large Language Models (LLMs) are increasingly used for various tasks with graph structures. Though LLMs can process graph information in a textual format, they overlook the rich vision modality, which is an intuitive way for humans to comprehend structural information and conduct general graph reasoning. The potential benefits and capabilities of representing graph structures as visual images (i.e., $\textit{visual graph}$) are still unexplored. To fill the gap, we innovatively propose an end-to-end framework, called $\textbf{G}$raph to v$\textbf{I}$sual and $\textbf{T}$extual Integr$\textbf{A}$tion (GITA), which firstly incorporates visual graphs into general graph reasoning. Besides, we establish  $\textbf{G}$raph-based $\textbf{V}$ision-$\textbf{L}$anguage $\textbf{Q}$uestion $\textbf{A}$nswering (GVLQA) dataset from existing graph data, which is the first vision-language dataset for general graph reasoning purposes. Extensive experiments on the GVLQA dataset and five real-world datasets show that GITA outperforms mainstream LLMs in terms of general graph reasoning capabilities. Moreover, We highlight the effectiveness of the layout augmentation on visual graphs and pretraining on the GVLQA dataset.
Model Sensitivity Aware Continual Learning
Authors: Zhenyi Wang; Heng Huang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Continual learning (CL) aims to adapt to non-stationary data distributions while retaining previously acquired knowledge. However, CL models typically face a trade-off between preserving old task knowledge and excelling in new task performance. Existing approaches often sacrifice one for the other. To overcome this limitation, orthogonal to existing approaches, we propose a novel perspective that views the CL model ability in preserving old knowledge and performing well in new task as a matter of model sensitivity to parameter updates. \textit{Excessive} parameter sensitivity can lead to two drawbacks: (1) significant forgetting of previous knowledge; and (2) overfitting to new tasks. To reduce parameter sensitivity, we optimize the model's performance based on the parameter distribution, which achieves the worst-case CL performance within a distribution neighborhood. This innovative learning paradigm offers dual benefits: (1) reduced forgetting of old knowledge by mitigating drastic changes in model predictions under small parameter updates; and (2) enhanced new task performance by preventing overfitting to new tasks. Consequently, our method achieves superior ability in retaining old knowledge and achieving excellent new task performance simultaneously.
Importantly, our approach is compatible with existing CL methodologies, allowing seamless integration while delivering significant improvements in effectiveness, efficiency, and versatility with both theoretical and empirical supports.
FNP: Fourier Neural Processes for Arbitrary-Resolution Data Assimilation
Authors: Kun Chen; Peng Ye; Hao Chen; kang chen; Tao Han; Wanli Ouyang; Tao Chen; LEI BAI
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Data assimilation is a vital component in modern global medium-range weather forecasting systems to obtain the best estimation of the atmospheric state by combining the short-term forecast and observations. Recently, AI-based data assimilation approaches have attracted increasing attention for their significant advantages over traditional techniques in terms of computational consumption. However, existing AI-based data assimilation methods can only handle observations with a specific resolution, lacking the compatibility and generalization ability to assimilate observations with other resolutions. Considering that complex real-world observations often have different resolutions, we propose the Fourier Neural Processes (FNP) for arbitrary-resolution data assimilation in this paper. Leveraging the efficiency of the designed modules and flexible structure of neural processes, FNP achieves state-of-the-art results in assimilating observations with varying resolutions, and also exhibits increasing advantages over the counterparts as the resolution and the amount of observations increase. Moreover, our FNP trained on a fixed resolution can directly handle the assimilation of observations with out-of-distribution resolutions and the observational information reconstruction task without additional fine-tuning, demonstrating its excellent generalization ability across data resolutions as well as across tasks. Code is available at https://github.com/OpenEarthLab/FNP.
Prediction-Powered Ranking of Large Language Models
Authors: Ivi Chatzi; Eleni Straitouri; Suhas Thejaswi; Manuel Gomez Rodriguez
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Large language models are often ranked according to their level of alignment with human preferences---a model is better than other models if its outputs are more frequently preferred by humans. One of the popular ways to elicit human preferences utilizes pairwise comparisons between the outputs provided by different models to the same inputs. However, since gathering pairwise comparisons by humans is costly and time-consuming, it has become a common practice to gather pairwise comparisons by a strong large language model---a model strongly aligned with human preferences. Surprisingly, practitioners cannot currently measure the uncertainty that any mismatch between human and model preferences may introduce in the constructed rankings. In this work, we develop a statistical framework to bridge this gap. Given a (small) set of pairwise comparisons by humans and a large set of pairwise comparisons by a model, our framework provides a rank-set---a set of possible ranking positions---for each of the models under comparison. Moreover, it guarantees that, with a probability greater than or equal to a user-specified value, the rank-sets cover the true ranking consistent with the distribution of human pairwise preferences asymptotically. Using pairwise comparisons made by humans in the LMSYS Chatbot Arena platform and pairwise comparisons made by three strong large language models, we empirically demonstrate the effectivity of our framework and show that the rank-sets constructed using only pairwise comparisons by the strong large language models are often inconsistent with (the distribution of) human pairwise preferences.
Scalable Constrained Policy Optimization for Safe Multi-agent Reinforcement Learning
Authors: Lijun Zhang; Lin Li; Wei Wei; Huizhong Song; Yaodong Yang; Jiye Liang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: A challenging problem in seeking to bring multi-agent reinforcement learning (MARL) techniques into real-world applications, such as autonomous driving and drone swarms, is how to control multiple agents safely and cooperatively to accomplish tasks. Most existing safe MARL methods learn the centralized value function by introducing a global state to guide safety cooperation. However, the global coupling arising from agents’ safety constraints and the exponential growth of the state-action space size limit their applicability in instant communication or computing resource-constrained systems and larger multi-agent systems. In this paper, we develop a novel scalable and theoretically-justified multi-agent constrained policy optimization method. This method utilizes the rigorous bounds of the trust region method and the bounds of the truncated advantage function to provide a new local policy optimization objective for each agent. Also, we prove that the safety constraints and the joint policy improvement can be met when each agent adopts a sequential update scheme to optimize a $\kappa$-hop policy. Then, we propose a practical algorithm called Scalable MAPPO-Lagrangian (Scal-MAPPO-L). The proposed method’s effectiveness is verified on a collection of benchmark tasks, and the results support our theory that decentralized training with local interactions can still improve reward performance and satisfy safe constraints.
SE(3)-bi-equivariant Transformers for Point Cloud Assembly
Authors: Ziming Wang; Rebecka Jörnsten
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Given a pair of point clouds, the goal of assembly is to recover a rigid transformation that aligns one point cloud to the other. This task is challenging because the point clouds may be non-overlapped, and they may have arbitrary initial positions. To address these difficulties, we propose a method, called $SE(3)$-bi-equivariant transformer (BITR), based on the $SE(3)$-bi-equivariance prior of the task:it guarantees that when the inputs are rigidly perturbed, the output will transform accordingly.   Due to its equivariance property, BITR can not only handle non-overlapped PCs, but also  guarantee robustness against initial positions. Specifically, BITR first extracts features of the inputs using a novel $SE(3) \times SE(3)$-transformer, and then projects the learned feature to group $SE(3)$ as the output. Moreover, we theoretically show that swap and scale equivariances can be incorporated into BITR, thus it further guarantees stable performance under scaling and swapping the inputs. We experimentally show the effectiveness of BITR in practical tasks.
$\boldsymbol{\mu}\mathbf{P^2}$: Effective Sharpness Aware Minimization Requires Layerwise Perturbation Scaling
Authors: Moritz Haas; Jin Xu; Volkan Cevher; Leena Chennuru Vankadara
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Sharpness Aware Minimization (SAM) enhances performance across various neural architectures and datasets. As models are continually scaled up to improve performance, a rigorous understanding of SAM’s scaling behaviour is paramount. To this end, we study the infinite-width limit of neural networks trained with SAM, using the Tensor Programs framework. Our findings reveal that the dynamics of standard SAM effectively reduce to applying SAM solely in the last layer in wide neural networks, even with optimal hyperparameters. In contrast, we identify a stable parameterization with layerwise perturbation scaling, which we call *Maximal Update and Perturbation Parameterization* ($\mu$P$^2$), that ensures all layers are both feature learning and effectively perturbed in the limit. Through experiments with MLPs, ResNets and Vision Transformers, we empirically demonstrate that $\mu$P$^2$ is the first parameterization to achieve hyperparameter transfer of the joint optimum of learning rate and perturbation radius across model scales. Moreover, we provide an intuitive condition to derive $\mu$P$^2$ for other perturbation rules like Adaptive SAM and SAM-ON, also ensuring balanced perturbation effects across all layers.
ST$_k$: A Scalable Module for Solving Top-k Problems
Authors: Hanchen Xia; Weidong Liu; Xiaojun Mao
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The cost of ranking becomes significant in the new stage of deep learning. We propose ST$_k$, a fully differentiable module with a single trainable parameter, designed to solve the Top-k problem without requiring additional time or GPU memory. Due to its fully differentiable nature, ST$_k$ can be embedded end-to-end into neural networks and optimize the Top-k problems within a unified computational graph. We apply ST$_k$ to the Average Top-k Loss (AT$_k$), which inherently faces a Top-k problem. The proposed ST$_k$ Loss outperforms AT$_k$ Loss and achieves the best average performance on multiple benchmarks, with the lowest standard deviation. With the assistance of ST$_k$ Loss, we surpass the state-of-the-art (SOTA) on both CIFAR-100-LT and Places-LT leaderboards.
Hamiltonian Monte Carlo Inference of Marginalized Linear Mixed-Effects Models
Authors: Jinlin Lai; Justin Domke; Daniel Sheldon
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Bayesian reasoning in linear mixed-effects models (LMMs) is challenging and often requires advanced sampling techniques like Markov chain Monte Carlo (MCMC).
A common approach is to write the model in a probabilistic programming language and then sample via Hamiltonian Monte Carlo (HMC).
However, there are many ways a user can transform a model that make inference more or less efficient.
In particular, marginalizing some variables can greatly improve inference but is difficult for users to do manually.
We develop an algorithm to easily marginalize random effects in LMMs.
A naive approach introduces cubic time operations within an inference algorithm like HMC, but we reduce the running time to linear using fast linear algebra techniques.
We show that marginalization is always beneficial when applicable and highlight improvements in various models, especially ones from cognitive sciences.
Robust Sleep Staging over Incomplete Multimodal Physiological Signals via Contrastive Imagination
Authors: Qi Shen; Junchang Xin; Bing Tian Dai; Shudi Zhang; Zhiqiong Wang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Multimodal physiological signals, such as EEG, EOG and EMG, provide rich and reliable physiological information for automated sleep staging (ASS). However, in the real world, the completeness of various modalities is difficult to guarantee, which seriously affects the performance of ASS based on multimodal learning. Furthermore, the exploration of temporal context information within PTSs is also a serious challenge. To this end, we propose a robust multimodal sleep staging framework named contrastive imagination modality sleep network (CIMSleepNet). Specifically, CIMSleepNet handles the issue of arbitrary modal missing through the combination of modal awareness imagination module (MAIM) and semantic & modal calibration contrastive learning (SMCCL). Among them, MAIM can capture the interaction among modalities by learning the shared representation distribution of all modalities. Meanwhile, SMCCL introduces prior information of semantics and modalities to check semantic consistency while maintaining the uniqueness of each modality. Utilizing the calibration of SMCCL, the data distribution recovered by MAIM is aligned with the real data distribution. We further design a multi-level cross-branch temporal attention mechanism, which can facilitate the mining of interactive temporal context representations at both the intra-epoch and inter-epoch levels. Extensive experiments on five multimodal sleep datasets demonstrate that CIMSleepNet remarkably outperforms other competitive methods under various missing modality patterns. The source code is available at: https://github.com/SQAIYY/CIMSleepNet.
MeLLoC: Lossless Compression with High-order Mechanism Learning
Authors: Xinyue Luo; Jin Cheng; Yu Chen
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Lossless compression of large-scale scientific floating-point data is critical yet challenging due to the presence of high-order information and noise that arises from model truncation and discretization errors. Existing entropy coding techniques fail to effectively leverage the mechanisms underlying the data generation process. This paper introduces MeLLoC(Mechanism Learning for Lossless Compression), a novel approach that combines high-order mechanism learning with classical encoding to enhance lossless compression for scientific data. The key idea is to treat the data as discrete samples from an underlying physical field described by differential equations and solve an inverse problem to identify the governing equation coefficients exhibiting more compressible numeric representations. Periodic extension techniques are employed to accelerate the decompression. Through extensive experiments on various scientific datasets, MeLLoC consistently outperforms state-of-the-art lossless compressors while offering compelling trade-offs between compression ratios and computational costs. This work opens up new avenues for exploiting domain knowledge and high-order information to improve data compression in scientific computing.