mtybilly/Instruct2DS huggingface dataset:
On the Scalability of GNNs for Molecular Graphs
Authors: Frederik Wenkel, Farimah Poursafaei, Nia Dickson, Karush Suri, Philip Fradkin, Dominique Beaini Maciej Sypetkowski
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Scaling deep learning models has been at the heart of recent revolutions in language modelling and image generation. Practitioners have observed a strong relationship between model size, dataset size, and performance. However, structure-based architectures such as Graph Neural Networks (GNNs) are yet to show the benefits of scale mainly due to lower efficiency of sparse operations, large data requirements, and lack of clarity about the effectiveness of various architectures. We address this drawback of GNNs by studying their scaling behavior. Specifically, we analyze message-passing networks, graph Transformers, and hybrid architectures on the largest public collection of 2D molecular graphs for supervised pretraining. For the first time, we observe that GNNs benefit tremendously from the increasing scale of depth, width, number of molecules and associated labels. A major factor is the diversity of the pretraining data that comprises thousands of labels per molecule derived from bio-assays, quantum simulations, transcriptomics and phenomic imaging. We further demonstrate strong finetuning scaling behavior on 38 highly competitive downstream tasks, outclassing previous large models. This gives rise to MolGPS, a new graph foundation model that allows to navigate the chemical space, outperforming the previous state-of-the-arts on 26 out the 38 downstream tasks. We hope that our work paves the way for an era where foundational GNNs drive pharmaceutical drug discovery.
Improving Viewpoint-Independent Object-Centric Representations through Active Viewpoint Selection
Authors: Chengmin Gao, Bin Li, Xiangyang Xue Yinxuan Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Given the complexities inherent in visual scenes, such as object occlusion, a comprehensive understanding often requires observation from multiple viewpoints. Existing multi-viewpoint object-centric learning methods typically employ random or sequential viewpoint selection strategies. While applicable across various scenes, these strategies may not always be ideal, as certain scenes could benefit more from specific viewpoints. To address this limitation, we propose a novel active viewpoint selection strategy. This strategy predicts images from unknown viewpoints based on information from observation images for each scene. It then compares the object-centric representations extracted from both viewpoints and selects the unknown viewpoint with the largest disparity, indicating the greatest gain in information, as the next observation viewpoint. Through experiments on various datasets, we demonstrate the effectiveness of our active viewpoint selection strategy, significantly enhancing segmentation and reconstruction performance compared to random viewpoint selection. Moreover, our method can accurately predict images from unknown viewpoints.
Aggregating Quantitative Relative Judgments: From Social Choice to Ranking Prediction
Authors: Hanrui Zhang, Yu Cheng, Vincent Conitzer Yixuan Even Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Quantitative Relative Judgment Aggregation (QRJA) is a new research topic in (computational) social choice. In the QRJA model, agents provide judgments on the relative quality of different candidates, and the goal is to aggregate these judgments across all agents. In this work, our main conceptual contribution is to explore the interplay between QRJA in a social choice context and its application to ranking prediction. We observe that in QRJA, judges do not have to be people with subjective opinions; for example, a race can be viewed as a ``judgment'' on the contestants' relative abilities. This allows us to aggregate results from multiple races to evaluate the contestants' true qualities. At a technical level, we introduce new aggregation rules for QRJA and study their structural and computational properties. We evaluate the proposed methods on data from various real races and show that QRJA-based methods offer effective and interpretable ranking predictions.
Task Me Anything
Authors: Weikai Huang, Zixian Ma, Oscar Michel, Dong He, Tanmay Gupta, Wei-Chiu Ma, Ali Farhadi, Aniruddha Kembhavi, Ranjay Krishna Jieyu Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Benchmarks for large multimodal language models (MLMs) now serve to simultaneously assess the general capabilities of models instead of evaluating for a specific capability. As a result, when a developer wants to identify which models to use for their application, they are overwhelmed by the number of benchmarks and remain uncertain about which benchmark's results are most reflective of their specific use case. This paper introduces Task-Me-Anything, a benchmark generation engine which produces a benchmark tailored to a user's needs. Task-Me-Anything maintains an extendable taxonomy of visual assets and can programmatically generate a vast number of task instances. Additionally, it algorithmically addresses user queries regarding MLM performance efficiently within a computational budget. It contains 113K images, 10K videos, 2K 3D object assets, over 365 object categories, 655 attributes, and 335 relationships. It can generate 500M image/video question-answering pairs, which focus on evaluating MLM perceptual capabilities. Task-Me-Anything reveals critical insights: open-source MLMs excel in object and attribute recognition but lack spatial and temporal understanding; each model exhibits unique strengths and weaknesses; larger models generally perform better, though exceptions exist; and GPT4O demonstrates challenges in recognizing rotating/moving objects and distinguishing colors.
Vision Foundation Model Enables Generalizable Object Pose Estimation
Authors: Yiyao Ma, Xingyu Lin, Stephen James, Jianshu Zhou, Yun-Hui Liu, Pieter Abbeel, Qi Dou Kai Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Object pose estimation plays a crucial role in robotic manipulation, however, its practical applicability still suffers from limited generalizability. This paper addresses the challenge of generalizable object pose estimation, particularly focusing on category-level object pose estimation for unseen object categories. Current methods either require impractical instance-level training or are confined to predefined categories, limiting their applicability. We propose VFM-6D, a novel framework that explores harnessing existing vision and language models, to elaborate object pose estimation into two stages: category-level object viewpoint estimation and object coordinate map estimation. Based on the two-stage framework, we introduce a 2D-to-3D feature lifting module and a shape-matching module, both of which leverage pre-trained vision foundation models to improve object representation and matching accuracy. VFM-6D is trained on cost-effective synthetic data and exhibits superior generalization capabilities. It can be applied to both instance-level unseen object pose estimation and category-level object pose estimation for novel categories. Evaluations on benchmark datasets demonstrate the effectiveness and versatility of VFM-6D in various real-world scenarios.
Curvature Clues: Decoding Deep Learning Privacy with Input Loss Curvature
Authors: Efstathia Soufleri, Kaushik Roy Deepak Ravikumar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we explore the properties of loss curvature with respect to input data in deep neural networks. Curvature of loss with respect to input (termed input loss curvature) is the trace of the Hessian of the loss with respect to the input. We investigate how input loss curvature varies between train and test sets, and its implications for train-test distinguishability. We develop a theoretical framework that derives an upper bound on the train-test distinguishability based on privacy and the size of the training set. This novel insight fuels the development of a new black box membership inference attack utilizing input loss curvature. We validate our theoretical findings through experiments in computer vision classification tasks, demonstrating that input loss curvature surpasses existing methods in membership inference effectiveness. Our analysis highlights how the performance of membership inference attack (MIA) methods varies with the size of the training set, showing that curvature-based MIA outperforms other methods on sufficiently large datasets. This condition is often met by real datasets, as demonstrated by our results on CIFAR10, CIFAR100, and ImageNet. These findings not only advance our understanding of deep neural network behavior but also improve the ability to test privacy-preserving techniques in machine learning.
Exploring Fixed Point in Image Editing: Theoretical Support and Convergence Optimization
Authors: Zhe Ma, Haoming Chen, Xuwei Fang, Weisheng Xie, Faming Fang, Guixu Zhang, Hongbin Wang Chen Hang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In image editing, Denoising Diffusion Implicit Models (DDIM) inversion has become a widely adopted method and is extensively used in various image editing approaches. The core concept of DDIM inversion stems from the deterministic sampling technique of DDIM, which allows the DDIM process to be viewed as an Ordinary Differential Equation (ODE) process that is reversible. This enables the prediction of corresponding noise from a reference image, ensuring that the restored image from this noise remains consistent with the reference image. Image editing exploits this property by modifying the cross-attention between text and images to edit specific objects while preserving the remaining regions. However, in the DDIM inversion, using the $t-1$ time step to approximate the noise prediction at time step $t$ introduces errors between the restored image and the reference image. Recent approaches have modeled each step of the DDIM inversion process as finding a fixed-point problem of an implicit function. This approach significantly mitigates the error in the restored image but lacks theoretical support regarding the existence of such fixed points. Therefore, this paper focuses on the study of fixed points in DDIM inversion and provides theoretical support. Based on the obtained theoretical insights, we further optimize the loss function for the convergence of fixed points in the original DDIM inversion, improving the visual quality of the edited image. Finally, we extend the fixed-point based image editing to the application of unsupervised image dehazing, introducing a novel text-based approach for unsupervised dehazing.
MambaTalk: Efficient Holistic Gesture Synthesis with Selective State Space Models
Authors: Yukang Lin, Haonan Han, Sicheng Yang, Ronghui Li, Yachao Zhang, Xiu Li Zunnan Xu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Gesture synthesis is a vital realm of human-computer interaction, with wide-ranging applications across various fields like film, robotics, and virtual reality. Recent advancements have utilized the diffusion model to improve gesture synthesis. However, the high computational complexity of these techniques limits the application in reality. In this study, we explore the potential of state space models (SSMs).Direct application of SSMs in gesture synthesis encounters difficulties, which stem primarily from the diverse movement dynamics of various body parts. The generated gestures may also exhibit unnatural jittering issues.To address these, we implement a two-stage modeling strategy with discrete motion priors to enhance the quality of gestures.Built upon the selective scan mechanism, we introduce MambaTalk, which integrates hybrid fusion modules, local and global scans to refine latent space representations.Subjective and objective experiments demonstrate that our method surpasses the performance of state-of-the-art models. Our project is publicly available at~\url{https://kkakkkka.github.io/MambaTalk/}.
Efficient Streaming Algorithms for Graphlet Sampling
Authors: Marco Bressan, T-H. Hubert Chan, Qipeng Kuang, Mauro Sozio Yann Bourreau
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Given a graph $G$ and a positive integer $k$, the Graphlet Sampling problem asks to sample a connected induced $k$-vertex subgraph of $G$ uniformly at random.Graphlet sampling enhances machine learning applications by transforming graph structures into feature vectors for tasks such as graph classification and subgraph identification, boosting neural network performance, and supporting clustered federated learning by capturing local structures and relationships.A recent work has shown that the problem admits an algorithm that preprocesses $G$ in time $O(nk^2 \log k + m)$, and draws one sample in expected time $k^{O(k)} \log n$, where $n=|V(G)|$ and $m=|E(G)|$. Such an algorithm relies on the assumption that the input graph fits into main memory and it does not seem to be straightforward to adapt it to very large graphs. We consider Graphlet Sampling in the semi-streaming setting, where we have a memory of $M = \Omega(n \log n)$ words, and $G$ can be only read through sequential passes over the edge list. We develop a semi-streaming algorithm that preprocesses $G$ in $p={O}(\log n)$ passes and samples $\Theta(M k^{-O(k)})$ independent uniform $k$-graphlets in $O(k)$ passes. For constant $k$, both phases run in time $O((n+m)\log n)$. We also show that the tradeoff between memory and number of passes of our algorithms is near-optimal. Our extensive evaluation on very large graphs shows the effectiveness of our algorithms.
HumanVid: Demystifying Training Data for Camera-controllable Human Image Animation
Authors: Yixuan Li, Yanhong Zeng, Youqing Fang, Yuwei Guo, Wenran Liu, Jing Tan, Kai Chen, Tianfan Xue, Bo Dai, Dahua Lin Zhenzhi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Human image animation involves generating videos from a character photo, allowing user control and unlocking the potential for video and movie production. While recent approaches yield impressive results using high-quality training data, the inaccessibility of these datasets hampers fair and transparent benchmarking. Moreover, these approaches prioritize 2D human motion and overlook the significance of camera motions in videos, leading to limited control and unstable video generation. To demystify the training data, we present HumanVid, the first large-scale high-quality dataset tailored for human image animation, which combines crafted real-world and synthetic data. For the real-world data, we compile a vast collection of real-world videos from the internet. We developed and applied careful filtering rules to ensure video quality, resulting in a curated collection of 20K high-resolution (1080P) human-centric videos. Human and camera motion annotation is accomplished using a 2D pose estimator and a SLAM-based method. To expand our synthetic dataset, we collected 10K 3D avatar assets and leveraged existing assets of body shapes, skin textures and clothings. Notably, we introduce a rule-based camera trajectory generation method, enabling the synthetic pipeline to incorporate diverse and precise camera motion annotation, which can rarely be found in real-world data. To verify the effectiveness of HumanVid, we establish a baseline model named CamAnimate, short for Camera-controllable Human Animation, that considers both human and camera motions as conditions. Through extensive experimentation, we demonstrate that such simple baseline training on our HumanVid achieves state-of-the-art performance in controlling both human pose and camera motions, setting a new benchmark. Demo, data and code could be found in the project website: https://humanvid.github.io/.
Semi-Supervised Sparse Gaussian Classification: Provable Benefits of Unlabeled Data
Authors: Boaz Nadler Eyar Azar
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The premise of semi-supervised learning (SSL) is that combining labeled and unlabeled data yields significantly more accurate models.Despite empirical successes, the theoretical understanding of SSL is still far from complete. In this work, we study SSL for high dimensional sparse Gaussian classification. To construct an accurate classifier a  key task is feature selection, detecting the few variables that separate the two classes.For this SSL setting, we analyze information theoretic lower bounds for accurate feature selection as well as computational lower bounds, assuming the low-degree likelihood hardness conjecture. Our key contribution is the identification of a regime in the problem parameters (dimension, sparsity, number of labeled and unlabeled samples) where SSL is guaranteed to be advantageous for classification.Specifically, there is a regime where it is possible to construct in polynomial time an accurate SSL classifier.However, any computationally efficient supervised or unsupervised learning schemes, that separately use only the labeled or unlabeled data would fail.  Our work highlights the provable benefits of combining labeled and unlabeled data for classification and feature selection in high dimensions. We present simulations that complement our theoretical analysis.
DropBP: Accelerating Fine-Tuning of Large Language Models by Dropping Backward Propagation
Authors: Baesung Park, Byeongwook Kim, Minjung Jo, Se Jung Kwon, Dongsuk Jeon, Dongsoo Lee Sunghyeon Woo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models (LLMs) have achieved significant success across various domains. However, training these LLMs typically involves substantial memory and computational costs during both forward and backward propagation. While parameter-efficient fine-tuning (PEFT) considerably reduces the training memory associated with parameters, it does not address the significant computational costs and activation memory. In this paper, we propose Dropping Backward Propagation (DropBP), a novel approach designed to reduce computational costs and activation memory while maintaining accuracy. DropBP randomly drops layers during backward propagation, which is essentially equivalent to training shallow submodules generated by undropped layers and residual connections. Additionally, DropBP calculates the sensitivity of each layer to assign an appropriate drop rate, thereby stabilizing the training process. DropBP is not only applicable to full fine-tuning but can also be orthogonally integrated with all types of PEFT by dropping layers during backward propagation. Specifically, DropBP can reduce training time by 44% with comparable accuracy to the baseline, accelerate convergence to the same perplexity by 1.5$\times$, and enable training with a sequence length 6.2$\times$ larger on a single NVIDIA-A100 GPU. Furthermore, our DropBP enabled a throughput increase of 79% on a NVIDIA A100 GPU and 117% on an Intel Gaudi2 HPU. The code is available at [https://github.com/WooSunghyeon/dropbp](https://github.com/WooSunghyeon/dropbp).
Grounding Multimodal Large Language Models in Actions
Authors: Bogdan Mazoure, Harsh Agrawal, Devon Hjelm, Zsolt Kira, Alexander Toshev Andrew Szot
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Multimodal Large Language Models (MLLMs) have demonstrated a wide range of capabilities across many domains including Embodied AI. In this work, we study how to best ground a MLLM into different embodiments and their associated action spaces, including both continuous and discrete actions. For continuous actions, a set of learned tokenizations that capture an action at various resolutions allows for sufficient modeling precision, yielding the best performance on downstream tasks. For discrete actions, semantically aligning these actions with the native output token space of the MLLM leads to the strongest performance. We arrive at these lessons via a thorough study of seven action grounding approaches on five different environments, encompassing over 114 embodied tasks.
Optimal Algorithms for Learning Partitions with Faulty Oracles
Authors: Olga Medrano Martín del Campo, Erasmo Tani Adela Frances DePavia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We consider a clustering problem where a learner seeks to partition a finite set by querying a faulty oracle. This models applications where learners crowdsource information from non-expert human workers or conduct noisy experiments to determine group structure. The learner aims to exactly recover a partition by submitting queries of the form ``are $u$ and $v$ in the same group?'' for any pair of elements $u$ and $v$ in the set. Moreover, because the learner only has access to faulty sources of information, they require an error-tolerant algorithm for this task: i.e. they must fully recover the correct partition, even if up to $\ell$ answers are incorrect, for some error-tolerance parameter $\ell$. We study the question: for any given error-tolerance $\ell$, what is the minimum number of queries needed to learn a finite set partition of $n$ elements into $k$ groups? We design algorithms for this task and prove that they achieve optimal query complexity. To analyze our algorithms, we first highlight a  connection between this task and correlation clustering. We then use this connection to build a Rényi-Ulam style analytical framework for this problem, which yields matching lower bounds. Our analysis also reveals an inherent asymmetry between the query complexity necessary to be robust against false negative errors as opposed to false positive errors.
MemoryFormer : Minimize Transformer Computation by Removing Fully-Connected Layers
Authors: Yehui Tang, Haochen Qin, Zhenli Zhou, Chao Xu, Lin Li, Kai Han, Heng Liao, Yunhe Wang Ning Ding
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In order to reduce the computational complexity of large language models, great efforts have been made to to improve the efficiency of transformer models such as linear attention and flash-attention. However, the model size and corresponding computational complexity are constantly scaled up in pursuit of higher performance. In this work, we present MemoryFormer, a novel transformer architecture which significantly reduces the computational complexity (FLOPs) from a new perspective.  We eliminate nearly all the computations of the transformer model except for the necessary computation required by the multi-head attention operation. This is made possible by utilizing an alternative method for feature transformation to replace the linear projection of fully-connected layers. Specifically, we first construct a group of in-memory lookup tables that store a large amount of discrete vectors to replace the weight matrix used in linear projection. We then use a hash algorithm to retrieve a correlated subset of vectors dynamically based on the input embedding. The retrieved vectors combined together will form the output embedding, which provides an estimation of the result of matrix multiplication operation in a fully-connected layer. Compared to conducting matrix multiplication, retrieving data blocks from memory is a much cheaper operation which requires little computations. We train MemoryFormer from scratch and conduct extensive experiments on various benchmarks to demonstrate the effectiveness of the proposed model.
LCGen: Mining in Low-Certainty Generation for View-consistent Text-to-3D
Authors: Tong Yang, Junxiong Lin, Xinji Mai, Haoran Wang, Beining Wang, Enyu Zhou, Yan Wang, Wenqiang Zhang Zeng Tao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The Janus Problem is a common issue in SDS-based text-to-3D methods. Due to view encoding approach and 2D diffusion prior guidance, the 3D representation model tends to learn content with higher certainty from each perspective, leading to view inconsistency. In this work, we first model and analyze the problem, visualizing the specific causes of the Janus Problem, which are associated with discrete view encoding and shared priors in 2D lifting. Based on this, we further propose the LCGen method, which guides text-to-3D to obtain different priors with different certainty from various viewpoints, aiding in view-consistent generation. Experiments have proven that our LCGen method can be directly applied to different SDS-based text-to-3D methods, alleviating the Janus Problem without introducing additional information, increasing excessive training burden, or compromising the generation effect.
Learning and Transferring Sparse Contextual Bigrams with Linear Transformers
Authors: Zixuan Wang, Jason D. Lee Yunwei Ren
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformers have achieved significant success in natural language modeling because of their exceptional capabilities to combine contextual information and global knowledge, yet their theoretical basis remains unclear. In this paper, we first propose Sparse Contextual Bigram (SCB), a natural extension to the classical bigram model, where the generation of the next token depends on a sparse set of earlier positions determined by the last token. We investigate the training dynamics and sample complexity of learning SCB using a one-layer linear transformer with a gradient-based algorithm. We show that when trained from scratch, the training process can be split into an initial sample-intensive stage where the correlation is boosted from zero to a nontrivial value, followed by a more sample-efficient stage of further improvement. Additionally, we prove that, provided a nontrivial correlation between the downstream and pretraining tasks, finetuning from a pretrained model allows us to bypass the initial sample-intensive stage. We also empirically demonstrate that our algorithm can outperform SGD in our setting.
Predictor-Corrector Enhanced Transformers with Exponential Moving Average Coefficient Learning
Authors: Tong Zheng, Rui Wang, Jiahao Liu, Qingyan Guo, Junliang Guo, Xu Tan, Tong Xiao, Jingbo Zhu, Jingang Wang, Xunliang Cai Bei Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Residual networks, as discrete approximations of Ordinary Differential Equations (ODEs), have inspired significant advancements in neural network design, including multistep methods, high-order methods, and multi-particle dynamical systems. The precision of the solution to ODEs significantly affects parameter optimization, thereby impacting model performance. In this work, we present a series of advanced explorations of Transformer architecture design to minimize the error compared to the true ``solution.'' First, we introduce a predictor-corrector learning framework to minimize truncation errors, which consists of a high-order predictor and a multistep corrector. Second, we propose an exponential moving average-based coefficient learning method to strengthen our higher-order predictor. Extensive experiments on large-scale machine translation, abstractive summarization, language modeling, and natural language understanding benchmarks demonstrate the superiority of our approach. On the WMT'14 English-German and English-French tasks, our model achieved BLEU scores of 30.95 and 44.27, respectively. Furthermore, on the OPUS multilingual machine translation task, our model surpasses a robust 3.8B DeepNet by an average of 2.9 SacreBLEU, using only 1/3 parameters. Notably, it also beats LLama models by 5.7 accuracy points on the LM Harness Evaluation.
Public-data Assisted Private Stochastic Optimization: Power and Limitations
Authors: Michael Menart, Raef Bassily, Cristóbal Guzmán, Raman Arora Enayat Ullah
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the limits and capability of public-data  assisted differentially private (PA-DP) algorithms. Specifically, we focus on the problem of stochastic convex optimization (SCO) with either labeled or unlabeled public data. For complete/labeled public data, we show that any $(\epsilon,\delta)$-PA-DP has excess risk $\tilde{\Omega}\big(\min(\frac{1}{\sqrt{n_{\text{pub}}}},\frac{1}{\sqrt{n}}+\frac{\sqrt{d}}{n\epsilon} ) \big)$, where $d$ is the dimension, ${n_{\text{pub}}}$ is the number of public samples, ${n_{\text{priv}}}$ is the number of private samples, and $n={n_{\text{pub}}}+{n_{\text{priv}}}$. These lower bounds are established via our new lower bounds for PA-DP mean estimation, which are of a similar form. Up to constant factors, these lower bounds show that the simple strategy of either treating all data as private or discarding the private data, is optimal. We also study PA-DP supervised learning with \textit{unlabeled} public samples. In contrast to our previous result, we here show novel methods for leveraging public data in private supervised learning. For generalized linear models (GLM) with unlabeled public data, we show an efficient algorithm which, given $\tilde{O}({n_{\text{priv}}}\epsilon)$ unlabeled public samples, achieves the dimension independent rate $\tilde{O}\big(\frac{1}{\sqrt{{n_{\text{priv}}}}} + \frac{1}{\sqrt{{n_{\text{priv}}}\epsilon}}\big)$. We develop new lower bounds for this setting which shows that this rate cannot be improved with more public samples, and any fewer public samples leads to a worse rate. Finally, we provide extensions of this result to general hypothesis classes with finite \textit{fat-shattering dimension} with applications to neural networks and non-Euclidean geometries.
Globally Q-linear Gauss-Newton Method for Overparameterized Non-convex Matrix Sensing
Authors: Fangchen Feng, Deyu Meng, Defeng Sun Xixi Jia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper focuses on the optimization of overparameterized, non-convex low-rank matrix sensing (LRMS)—an essential component in contemporary statistics and machine learning. Recent years have witnessed significant breakthroughs in first-order methods, such as gradient descent, for tackling this non-convex optimization problem. However, the presence of numerous saddle points often prolongs the time required for gradient descent to overcome these obstacles. Moreover, overparameterization can markedly decelerate gradient descent methods, transitioning its convergence rate from linear to sub-linear.  In this paper, we introduce an approximated Gauss-Newton (AGN) method for tackling the non-convex LRMS problem. Notably, AGN incurs a computational cost comparable to gradient descent per iteration but converges much faster without being slowed down by saddle points. We prove that, despite the non-convexity of the objective function, AGN achieves Q-linear convergence from random initialization to the global optimal solution. The global Q-linear convergence of AGN represents a substantial enhancement over the convergence of the existing methods for the overparameterized non-convex LRMS. The code for this paper is available at \url{https://github.com/hsijiaxidian/AGN}.
Implicit Curriculum in Procgen Made Explicit
Authors: Kaixin Wang, Xinchao Wang Zhenxiong Tan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Procedurally generated environments such as Procgen Benchmark provide a testbed for evaluating the agent's ability to robustly learn a relevant skill, by situating the agent in ever-changing levels. The diverse levels associated with varying contexts are naturally connected to curriculum learning. Existing works mainly focus on arranging the levels to explicitly form a curriculum. In this work, we take a close look at the learning process itself under the multi-level training in Procgen. Interestingly, the learning process exhibits a gradual shift from easy contexts to hard contexts, suggesting an implicit curriculum in multi-level training. Our analysis is made possible through C-Procgen, a benchmark we build upon Procgen that enables explicit control of the contexts. We believe our findings will foster a deeper understanding of learning in diverse contexts, and our benchmark will benefit future research in curriculum reinforcement learning.
Easy Regional Contrastive Learning of Expressive Fashion Representations
Authors: Handong Zhao, Sheng Li Daiqing Qi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When learning vision-language models (VLM) for the fashion domain, most existing works design new architectures from vanilla BERT with additional objectives, or perform dense multi-task learning with fashion-specific tasks. Though progress has been made, their architecture or objectives are often intricate and the extendibility is limited.By contrast, with simple architecture (comprising only two unimodal encoders) and just the contrastive objective, popular pre-trained VL models (e.g., CLIP) achieve superior performance in general domains, which are further easily extended to downstream tasks.However, inheriting such benefits of CLIP in the fashion domain is non-trivial in the presence of the notable domain gap. Empirically, we find that directly finetuning on fashion data leads CLIP to frequently ignore minor yet important details such as logos and composition, which are critical in fashion tasks such as retrieval and captioning.In this work, to maintain CLIP's simple architecture and objective while explicitly attending to fashion details, we propose $E^2$: Easy Regional Contrastive Learning of Expressive Fashion Representations.$E^2$ introduces only a few selection tokens and fusion blocks (just 1.9\% additional parameters in total) with only contrastive losses. Despite lightweight, in our primary focus, cross-modal retrieval, $E^2$ notably outperforms existing fashion VLMs with various fashion-specific objectives.Moreover, thanks to CLIP's widespread use in downstream tasks in general domains (e.g., zero-shot composed image retrieval and image captioning), our model can easily extend these models  from general domain to the fashion domain with notable improvement.To conduct a comprehensive evaluation, we further collect data from Amazon Reviews to build a new dataset for cross-modal retrieval in the fashion domain.
Gradient Methods for Online DR-Submodular Maximization with Stochastic Long-Term Constraints
Authors: Vaneet Aggarwal, Christopher John Quinn Guanyu Nie
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we consider the problem of online monotone DR-submodular maximization subject to long-term stochastic constraints. Specifically, at each round $t\in [T]$, after committing an action $\mathbf{x}_t$, a random reward $f_t(\mathbf{x}_t)$ and an unbiased gradient estimate of the point $\widetilde{\nabla}f_t(\mathbf{x}_t)$ (semi-bandit feedback) are revealed. Meanwhile, a budget of $g_t(\mathbf{x}_t)$, which is linear and stochastic, is consumed of its total allotted budget $B_T$. We propose a gradient ascent based algorithm that achieves $\frac{1}{2}$-regret of $\mathcal{O}(\sqrt{T})$ with $\mathcal{O}(T^{3/4})$ constraint violation with high probability. Moreover, when first-order full-information feedback is available, we propose an algorithm that achieves $(1-1/e)$-regret of $\mathcal{O}(\sqrt{T})$ with $\mathcal{O}(T^{3/4})$ constraint violation. These algorithms significantly improve over the state-of-the-art in terms of query complexity.
Needle In A Multimodal Haystack
Authors: Shuibo Zhang, Yiming Ren, Yuchen Duan, Tiantong Li, Shuo Liu, Mengkang Hu, Zhe Chen, Kaipeng Zhang, Lewei Lu, Xizhou Zhu, Ping Luo, Yu Qiao, Jifeng Dai, Wenqi Shao, Wenhai Wang Weiyun Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: With the rapid advancement of multimodal large language models (MLLMs), their evaluation has become increasingly comprehensive. However, understanding long multimodal content, as a foundational ability for real-world applications, remains underexplored. In this work, we present Needle In A Multimodal Haystack (MM-NIAH), the first benchmark specifically designed to systematically evaluate the capability of existing MLLMs to comprehend long multimodal documents. Our benchmark includes three types of evaluation tasks: multimodal retrieval, counting, and reasoning. In each task, the model is required to answer the questions according to different key information scattered throughout the given multimodal document. Evaluating the leading MLLMs on MM-NIAH, we observe that existing models still have significant room for improvement on these tasks, especially on vision-centric evaluation. We hope this work can provide a platform for further research on long multimodal document comprehension and contribute to the advancement of MLLMs. Code and benchmark are released at https://github.com/OpenGVLab/MM-NIAH.
A benchmark for prediction of transcriptomic responses to chemical perturbations across cell types
Authors: Andrew Benz, Robrecht Cannoodt, Mauricio Cortes, Jason Fong, Sunil Kuppasani, Richard Lieberman, Tianyu Liu, Javier A. Mas-Rosario, Rico Meinl, Jalil Nourisa, Jared Tumiel, Tin M. Tunjic, Mengbo Wang, Noah Weber, Hongyu Zhao, Benedict Anchang, Fabian J. Theis, Malte D. Luecken, Daniel B. Burkhardt Artur Szałata
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Single-cell transcriptomics has revolutionized our understanding of cellular heterogeneity and drug perturbation effects. However, its high cost and the vast chemical space of potential drugs present barriers to experimentally characterizing the effect of chemical perturbations in all the myriad cell types of the human body. To overcome these limitations, several groups have proposed using machine learning methods to directly predict the effect of chemical perturbations either across cell contexts or chemical space. However, advances in this field have been hindered by a lack of well-designed evaluation datasets and benchmarks. To drive innovation in perturbation modeling, the Open Problems Perturbation Prediction (OP3) benchmark introduces a framework for predicting the effects of small molecule perturbations on cell type-specific gene expression. OP3 leverages the Open Problems in Single-cell Analysis benchmarking infrastructure and is enabled by a new single-cell perturbation dataset, encompassing 146 compounds tested on human blood cells. The benchmark includes diverse data representations, evaluation metrics, and winning methods from our "Single-cell perturbation prediction: generalizing experimental interventions to unseen contexts" competition at NeurIPS 2023. We envision that the OP3 benchmark and competition will drive innovation in single-cell perturbation prediction by improving the accessibility, visibility, and feasibility of this challenge, thereby promoting the impact of machine learning in drug discovery.
General Articulated Objects Manipulation in Real Images via Part-Aware Diffusion Process
Authors: Yong-Lu Li, Lixin Yang, Cewu Lu Zhou Fang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Articulated object manipulation in real images is a fundamental step in computer and robotic vision tasks. Recently, several image editing methods based on diffusion models have been proposed to manipulate articulated objects according to text prompts. However, these methods often generate weird artifacts or even fail in real images. To this end, we introduce the Part-Aware Diffusion Model to approach the manipulation of articulated objects in real images. First, we develop Abstract 3D Models to represent and manipulate articulated objects efficiently. Then we propose dynamic feature maps to transfer the appearance of objects from input images to edited ones, meanwhile generating the novel-appearing parts reasonably. Extensive experiments are provided to illustrate the advanced manipulation capabilities of our method concerning state-of-the-art editing works. Additionally, we verify our method on 3D articulated object understanding forembodied robot scenarios and the promising results prove that our method supports this task strongly. The project page is https://mvig-rhos.com/pa_diffusion.
Edit Distance Robust Watermarks via Indexing Pseudorandom Codes
Authors: Ankur Moitra Noah Golowich
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Motivated by the problem of detecting AI-generated text, we consider the problem of watermarking the output of language models with provable guarantees. We aim for watermarks which satisfy: (a) undetectability, a cryptographic notion introduced by Christ, Gunn, & Zamir (2023) which stipulates that it is computationally hard to distinguish watermarked language model outputs from the model's actual output distribution; and (b) robustness to channels which introduce a constant fraction of adversarial insertions, substitutions, and deletions to the watermarked text. Earlier schemes could only handle stochastic substitutions and deletions, and thus we are aiming for a more natural and appealing robustness guarantee that holds with respect to edit distance.  Our main result is a watermarking scheme which achieves both (a) and (b) when the alphabet size for the language model is allowed to grow as a polynomial in the security parameter. To derive such a scheme, we follow an approach introduced by Christ & Gunn (2024), which proceeds via first constructing pseudorandom codes satisfying undetectability and robustness properties analogous to those above; our codes have the additional benefit of relying on weaker computational assumptions than used in previous work.   Then we show that there is a generic transformation from such codes over large alphabets to watermarking schemes for arbitrary language models.
Nesterov acceleration despite very noisy gradients
Authors: Jonathan W. Siegel, Stephan Wojtowytsch Kanan Gupta
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We present a generalization of Nesterov's accelerated gradient descent algorithm. Our algorithm (AGNES) provably achieves acceleration for smooth convex and strongly convex minimization tasks with noisy gradient estimates if the noise intensity is proportional to the magnitude of the gradient at every point. Nesterov's method converges at an accelerated rate if the constant of proportionality is below 1, while AGNES accommodates any signal-to-noise ratio. The noise model is motivated by applications in overparametrized machine learning. AGNES requires only two parameters in convex and three in strongly convex minimization tasks, improving on existing methods. We further provide clear geometric interpretations and heuristics for the choice of parameters.
DiffAug: A Diffuse-and-Denoise Augmentation for Training Robust Classifiers
Authors: Sri Harsha Dumpala, Sageev Oore Chandramouli S. Sastry
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce DiffAug, a simple and efficient diffusion-based augmentation technique to train image classifiers for the crucial yet challenging goal of improved classifier robustness. Applying DiffAug to a given example consists of one forward-diffusion step followed by one reverse-diffusion step. Using both ResNet-50 and Vision Transformer architectures, we comprehensively evaluate classifiers trained with DiffAug and demonstrate the surprising effectiveness of single-step reverse diffusion in improving robustness to covariate shifts, certified adversarial accuracy and out of distribution detection. When we combine DiffAug with other augmentations such as AugMix and DeepAugment we demonstrate further improved robustness. Finally, building on this approach, we also improve classifier-guided diffusion wherein we observe improvements in: (i) classifier-generalization, (ii) gradient quality (i.e., improved perceptual alignment) and (iii) image generation performance. We thus introduce a computationally efficient technique for training with improved robustness that does not require any additional data, and effectively complements existing augmentation approaches.
Attractor Memory for Long-Term Time Series Forecasting: A Chaos Perspective
Authors: Yuehong Hu, Wei Chen, Ming Jin, Shirui Pan, Qingsong Wen, Yuxuan Liang Jiaxi Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In long-term time series forecasting (LTSF) tasks, an increasing number of works have acknowledged that discrete time series originate from continuous dynamic systems and have attempted to model their underlying dynamics. Recognizing the chaotic nature of real-world data, our model, Attraos, incorporates chaos theory into LTSF, perceiving real-world time series as low-dimensional observations from unknown high-dimensional chaotic dynamical systems. Under the concept of attractor invariance, Attraos utilizes non-parametric Phase Space Reconstruction embedding along with a novel multi-resolution dynamic memory unit to memorize historical dynamical structures, and evolves by a frequency-enhanced local evolution strategy. Detailed theoretical analysis and abundant empirical evidence consistently show that Attraos outperforms various LTSF methods on mainstream LTSF datasets and chaotic datasets with only one-twelfth of the parameters compared to PatchTST.
Active Learning with LLMs for Partially Observed and Cost-Aware Scenarios
Authors: Tennison Liu, Nabeel Seedat, Mihaela van der Schaar Nicolás Astorga
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Conducting experiments and gathering data for machine learning models is a complex and expensive endeavor, particularly when confronted with limited information. Typically, extensive _experiments_ to obtain features and labels come with a significant acquisition cost, making it impractical to carry out all of them. Therefore, it becomes crucial to strategically determine what to acquire to maximize the predictive performance while minimizing costs. To perform this task, existing data acquisition methods assume the availability of an initial dataset that is both fully-observed and labeled, crucially overlooking the **partial observability** of features characteristic of many real-world scenarios. In response to this challenge, we present Partially Observable Cost-Aware Active-Learning (POCA), a new learning approach aimed at improving model generalization in data-scarce and data-costly scenarios through label and/or feature acquisition. Introducing $\mu$POCA as an instantiation, we maximise the uncertainty reduction in the predictive model when obtaining labels and features, considering associated costs. $\mu$POCA enhance traditional Active Learning metrics based solely on the observed features by generating the unobserved features through Generative Surrogate Models, particularly Large Language Models (LLMs). We empirically validate $\mu$POCA across diverse tabular datasets, varying data availability, acquisition costs, and LLMs.