GenAI4ELab/papercli-papers huggingface dataset:
Predicting Ground State Properties: Constant Sample Complexity and Deep Learning Algorithms
Authors: Marc Wanner; Laura Lewis; Chiranjib Bhattacharyya; Devdatt Dubhashi; Alexandru Gheorghiu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: A fundamental problem in quantum many-body physics is that of finding ground states of local
Hamiltonians. A number of recent works gave provably efficient machine learning (ML) algorithms
for learning ground states. Specifically, [Huang et al. Science 2022], introduced an approach for learning
properties of the ground state of an $n$-qubit gapped local Hamiltonian $H$ from only $n^{\mathcal{O}(1)}$ data
points sampled from Hamiltonians in the same phase of matter. This was subsequently improved
by [Lewis et al. Nature Communications 2024], to $\mathcal{O}(\log 𝑛)$ samples when the geometry of the $n$-qubit system is known.
In this work, we introduce two approaches that achieve a constant sample complexity, independent
of system size $n$, for learning ground state properties. Our first algorithm consists of a simple
modification of the ML model used by Lewis et al. and applies to a property of interest known beforehand. Our second algorithm, which applies even if a description of
the property is not known, is a deep neural network model. While empirical results showing the
performance of neural networks have been demonstrated, to our knowledge, this is the first rigorous
sample complexity bound on a neural network model for predicting ground state properties. We also perform numerical experiments that confirm the improved scaling of our approach compared to earlier results.
Is Score Matching Suitable for Estimating Point Processes?
Authors: Haoqun Cao; Zizhuo Meng; Tianjun Ke; Feng Zhou
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Score matching estimators for point processes have gained widespread attention in recent years because they do not require the calculation of intensity integrals, thereby effectively addressing the computational challenges in maximum likelihood estimation (MLE). Some existing works have proposed score matching estimators for point processes. However, this work demonstrates that the incompleteness of the estimators proposed in those works renders them applicable only to specific problems, and they fail for more general point processes. To address this issue, this work introduces the weighted score matching estimator to point processes. Theoretically, we prove the consistency of the estimator we propose. Experimental results indicate that our estimator accurately estimates model parameters on synthetic data and yields results consistent with MLE on real data. In contrast, existing score matching estimators fail to perform effectively. Codes are publicly available at \url{https://github.com/KenCao2007/WSM_TPP}.
On the Ability of Developers' Training Data Preservation of Learnware
Authors: Hao-Yi Lei; Zhi-Hao Tan; Zhi-Hua Zhou
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The learnware paradigm aims to enable users to leverage numerous existing well-trained models instead of building machine learning models from scratch. In this paradigm, developers worldwide can submit their well-trained models spontaneously into a learnware dock system, and the system helps developers generate specification for each model to form a learnware. As the key component, a specification should characterize the capabilities of the model, enabling it to be adequately identified and reused, while preserving the developer's original data. Recently, the RKME (Reduced Kernel Mean Embedding) specification was proposed and most commonly utilized. This paper provides a theoretical analysis of RKME specification about its preservation ability for developer's training data. By modeling it as a geometric problem on manifolds and utilizing tools from geometric analysis, we prove that the RKME specification is able to disclose none of the developer's original data and possesses robust defense against common inference attacks, while preserving sufficient information for effective learnware identification.
Learning to Solve Quadratic Unconstrained Binary Optimization in a Classification Way
Authors: Ming Chen; Jie Chun; Shang Xiang; Luona Wei; Yonghao Du; Qian Wan; Yuning Chen; Yingwu Chen
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: The quadratic unconstrained binary optimization (QUBO) is a well-known NP-hard problem that takes an $n\times n$ matrix $Q$ as input and decides an $n$-dimensional 0-1 vector $x$, to optimize a quadratic function. Existing learning-based models that always formulate the solution process as sequential decisions suffer from high computational overload. To overcome this issue, we propose a neural solver called the Value Classification Model (VCM) that formulates the solution process from a classification perspective. It applies a Depth Value Network (DVN) based on graph convolution that exploits the symmetry property in $Q$ to auto-grasp value features. These features are then fed into a Value Classification Network (VCN) which directly generates classification solutions. Trained by a highly efficient model-tailored Greedy-guided Self Trainer (GST) which does not require any priori optimal labels, VCM significantly outperforms competitors in both computational efficiency and solution quality with a remarkable generalization ability. It can achieve near-optimal solutions in milliseconds with an average optimality gap of just 0.362\% on benchmarks with up to 2500 variables. Notably, a VCM trained at a specific DVN depth can steadily find better solutions by simply extending the testing depth, which narrows the gap to 0.034\% on benchmarks. To our knowledge, this is the first learning-based model to reach such a performance.
Revisiting the Integration of Convolution and Attention for Vision Backbone
Authors: Lei Zhu; Xinjiang Wang; Wayne Zhang; Rynson W. H. Lau
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Convolutions (Convs) and multi-head self-attentions (MHSAs) are typically considered alternatives to each other for building vision backbones. Although some works try to integrate both, they apply the two operators simultaneously at the finest pixel granularity. With Convs responsible for per-pixel feature extraction already, the question is whether we still need to include the heavy MHSAs at such a fine-grained level. In fact, this is the root cause of the scalability issue w.r.t. the input resolution for vision transformers. To address this important problem, we propose in this work to use MSHAs and Convs in parallel \textbf{at different granularity levels} instead. Specifically, in each layer, we use two different ways to represent an image: a fine-grained regular grid and a coarse-grained set of semantic slots. We apply different operations to these two representations: Convs to the grid for local features, and MHSAs to the slots for global features. A pair of fully differentiable soft clustering and dispatching modules is introduced to bridge the grid and set representations, thus 
enabling local-global fusion. Through extensive experiments on various vision tasks, we empirically verify the potential of the proposed integration scheme, named \textit{GLMix}: by offloading the burden of fine-grained features to light-weight Convs, it is sufficient to use MHSAs in a few (e.g., 64) semantic slots to match the performance of recent state-of-the-art backbones, while being more efficient. Our visualization results also demonstrate that the soft clustering module produces a meaningful semantic grouping effect with only IN1k classification supervision, which may induce better interpretability and inspire new weakly-supervised semantic segmentation approaches. Code will be available at \url{https://github.com/rayleizhu/GLMix}.
Probabilistic Weather Forecasting with Hierarchical Graph Neural Networks
Authors: Joel Oskarsson; Tomas Landelius; Marc Peter Deisenroth; Fredrik Lindsten
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: In recent years, machine learning has established itself as a powerful tool for high-resolution weather forecasting. While most current machine learning models focus on deterministic forecasts, accurately capturing the uncertainty in the chaotic weather system calls for probabilistic modeling. We propose a probabilistic weather forecasting model called Graph-EFM, combining a flexible latent-variable formulation with the successful graph-based forecasting framework. The use of a hierarchical graph construction allows for efficient sampling of spatially coherent forecasts. Requiring only a single forward pass per time step, Graph-EFM allows for fast generation of arbitrarily large ensembles. We experiment with the model on both global and limited area forecasting. Ensemble forecasts from Graph-EFM achieve equivalent or lower errors than comparable deterministic models, with the added benefit of accurately capturing forecast uncertainty.
Continual Counting with Gradual Privacy Expiration
Authors: Joel Daniel Andersson; Monika Henzinger; Rasmus Pagh; Teresa Anna Steiner; Jalaj Upadhyay
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Differential privacy with gradual expiration models the setting where data items arrive in a stream and at a given time $t$ the privacy loss guaranteed for a data item seen at time $(t-d)$ is $\epsilon g(d)$, where $g$ is a monotonically non-decreasing function. We study the fundamental *continual (binary) counting* problem where each data item consists of a bit and the algorithm needs to output at each time step the sum of all the bits streamed so far. For a stream of length $T$ and privacy *without* expiration continual counting is possible with maximum  (over all time steps) additive error $O(\log^2(T)/\varepsilon)$ and the best known lower bound is $\Omega(\log(T)/\varepsilon)$; closing this gap is a challenging open problem. 

We show that the situation is very different for privacy with gradual expiration by giving upper and lower bounds for a large set of expiration functions $g$. Specifically, our algorithm achieves an additive error of $O(\log(T)/\epsilon)$ for a large set of privacy expiration functions. We also give a lower bound that shows that if $C$ is the additive error of any $\epsilon$-DP algorithm for this problem, then the product of $C$ and the privacy expiration function after $2C$ steps must be $\Omega(\log(T)/\epsilon)$. Our algorithm matches this lower bound as its additive error is $O(\log(T)/\epsilon)$, even when $g(2C) = O(1)$.

Our empirical evaluation shows that we achieve a slowly growing privacy loss that has significantly smaller empirical privacy loss for large values of $d$ than a natural baseline algorithm.
Single Image Unlearning: Efficient Machine Unlearning in Multimodal Large Language Models
Authors: Jiaqi Li; Qianshan Wei; Chuanyi Zhang; Guilin Qi; Miaozeng Du; Yongrui Chen; Sheng Bi; Fan Liu
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Machine unlearning (MU) empowers individuals with the `right to be forgotten' by removing their private or sensitive information encoded in machine learning models. However, it remains uncertain whether MU can be effectively applied to Multimodal Large Language Models (MLLMs), particularly in scenarios of forgetting the leaked visual data of concepts. To overcome the challenge, we propose an efficient method, Single Image Unlearning (SIU), to unlearn the visual recognition of a concept by fine-tuning a single associated image for few steps. SIU consists of two key aspects: (i) Constructing Multifaceted fine-tuning data. We introduce four targets, based on which we construct fine-tuning data for the concepts to be forgotten; (ii)  Joint training loss. To synchronously forget the visual recognition of concepts and preserve the utility of MLLMs, we fine-tune MLLMs through a novel Dual Masked KL-divergence Loss combined with Cross Entropy loss. Alongside our method, we establish MMUBench, a new benchmark for MU in MLLMs and introduce a collection of metrics for its evaluation. Experimental results on MMUBench show that SIU completely surpasses the performance of existing methods. Furthermore, we surprisingly find that SIU can avoid invasive membership inference attacks and jailbreak attacks. To the best of our knowledge, we are the first to explore MU in MLLMs. We will release the code and benchmark in the near future.
Co-occurrence is not Factual Association in Language Models
Authors: Xiao Zhang; Miao Li; Ji Wu
Venue: NeurIPS 2024 (NeurIPS 2024 spotlight)

Abstract: Pretrained language models can encode a large amount of knowledge and utilize it for various reasoning tasks, yet they can still struggle to learn novel factual knowledge effectively from finetuning on limited textual demonstrations. In this work, we show that the reason for this deficiency is that language models are biased to learn word co-occurrence statistics instead of true factual associations. We identify the differences between two forms of knowledge representation in language models: knowledge in the form of co-occurrence statistics is encoded in the middle layers of the transformer model and does not generalize well to reasoning scenarios beyond simple question answering, while true factual associations are encoded in the lower layers and can be freely utilized in various reasoning tasks. Based on these observations, we propose two strategies to improve the learning of factual associations in language models. We show that training on text with implicit rather than explicit factual associations can force the model to learn factual associations instead of co-occurrence statistics, significantly improving the generalization of newly learned knowledge. We also propose a simple training method to actively forget the learned co-occurrence statistics, which unblocks and enhances the learning of factual associations when training on plain narrative text. On both synthetic and real-world corpora, the two proposed strategies improve the generalization of the knowledge learned during finetuning to reasoning scenarios such as indirect and multi-hop question answering.
Non-geodesically-convex optimization in the Wasserstein space
Authors: Hoang Phuc Hau Luu; Hanlin Yu; Bernardo Williams; Petrus Mikkola; Marcelo Hartmann; Kai Puolamäki; Arto Klami
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: We study a class of optimization problems in the Wasserstein space (the space of probability measures) where the objective function is nonconvex along generalized geodesics. Specifically, the objective exhibits some difference-of-convex structure along these geodesics. The setting also encompasses sampling problems where the logarithm of the target distribution is difference-of-convex. We derive multiple convergence insights for a novel semi Forward-Backward Euler scheme under several nonconvex (and possibly nonsmooth) regimes. Notably, the semi Forward-Backward Euler is just a slight modification of the Forward-Backward Euler whose convergence is---to our knowledge---still unknown in our very general non-geodesically-convex setting.
A Theoretical Understanding of Self-Correction through In-context Alignment
Authors: Yifei Wang; Yuyang Wu; Zeming Wei; Stefanie Jegelka; Yisen Wang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Going beyond mimicking limited human experiences, recent studies show initial evidence that, like humans, large language models (LLMs) are capable of improving their abilities purely by self-correction, i.e., correcting previous responses through self-examination, as seen in models like OpenAI o1. Nevertheless, little is known about how such capabilities arise. In this work, based on a simplified setup akin to an alignment task, we theoretically analyze self-correction from an in-context learning perspective, showing that when LLMs give relatively accurate self-examinations as rewards, they are capable of refining responses in an in-context way. Notably, going beyond previous theories on over-simplified linear transformers, our theoretical construction underpins the roles of several key designs of realistic transformers for self-correction: softmax attention, multi-head attention, and the MLP block. We validate these findings extensively on synthetic datasets. Inspired by these findings, we propose a simple self-correction strategy, Checking as Context (CaC), which finds novel applications in alleviating social bias and defending against LLM jailbreaks. We believe that these findings will inspire further research on understanding, exploiting, and enhancing self-correction for building better foundation models. Code is at https://github.com/yifeiwang77/Self-Correction.
One-Step Diffusion Distillation through Score Implicit Matching
Authors: Weijian Luo; Zemin Huang; Zhengyang Geng; J Zico Kolter; Guo-Jun Qi
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: Despite their strong performances on many generative tasks, diffusion models require a large number of sampling steps in order to generate realistic samples.  This has motivated the community to develop effective methods to distill pre-trained diffusion models into more efficient models, but these methods still typically require few-step inference or perform substantially worse than the underlying model.  In this paper, we present Score Implicit Matching (SIM) a new approach to distilling pre-trained diffusion models into single-step generator models, while maintaining almost the same sample generation ability as the original model as well as being data-free with no need of training samples for distillation.  The method rests upon the fact that, although the traditional score-based loss is intractable to minimize for generator models, under certain conditions we \emph{can} efficiently compute the \emph{gradients} for a wide class of score-based divergences between a diffusion model and a generator. SIM shows strong empirical performances for one-step generators: on the CIFAR10 dataset, it achieves an FID of 2.06 for unconditional generation and 1.96 for class-conditional generation.  Moreover, by applying SIM to a leading transformer-based diffusion model, we distill a single-step generator for text-to-image (T2I) generation that attains an aesthetic score of 6.42 with no performance decline over the original multi-step counterpart, clearly outperforming the other one-step generators including SDXL-TURBO of 5.33, SDXL-LIGHTNING of 5.34 and HYPER-SDXL of 5.85. We will release this industry-ready one-step transformer-based T2I generator along with this paper.
Denoising Diffusion Path: Attribution Noise Reduction with An Auxiliary Diffusion Model
Authors: Yiming Lei; Zilong Li; Junping Zhang; Hongming Shan
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

Abstract: The explainability of deep neural networks (DNNs) is critical for trust and reliability in AI systems. Path-based attribution methods, such as integrated gradients (IG), aim to explain predictions by accumulating gradients along a path from a baseline to the target image. However, noise accumulated during this process can significantly distort the explanation. While existing methods primarily concentrate on finding alternative paths to circumvent noise, they overlook a critical issue: intermediate-step images frequently diverge from the distribution of training data, further intensifying the impact of noise. This work presents a novel Denoising Diffusion Path (DDPath) to tackle this challenge by harnessing the power of diffusionmodels for denoising. By exploiting the inherent ability of diffusion models to progressively remove noise from an image, DDPath constructs a piece-wise linear path. Each segment of this path ensures that samples drawn from a Gaussian distribution are centered around the target image. This approach facilitates a gradual reduction of noise along the path. We further demonstrate that DDPath adheres to essential axiomatic properties for attribution methods and can be seamlessly integrated with existing methods such as IG. Extensive experimental results demonstrate that DDPath can significantly reduce noise in the attributions—resulting in clearer explanations—and achieves better quantitative results than traditional path-based methods.
RG-SAN: Rule-Guided Spatial Awareness Network for End-to-End 3D Referring Expression Segmentation
Authors: Changli Wu; Qi Chen; Jiayi Ji; Haowei Wang; Yiwei Ma; You Huang; Gen Luo; Hao Fei; Xiaoshuai Sun; Rongrong Ji
Venue: NeurIPS 2024 (NeurIPS 2024 oral)

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.
Exploring Fixed Point in Image Editing: Theoretical Support and Convergence Optimization
Authors: chen hang; Zhe Ma; Haoming Chen; Xuwei Fang; Weisheng Xie; Faming Fang; Guixu Zhang; Hongbin Wang
Venue: NeurIPS 2024 (NeurIPS 2024 poster)

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.