mtybilly/Instruct2DS huggingface dataset:
Dual Prototype Evolving for Test-Time Generalization of Vision-Language Models
Authors: Ce Zhang, Simon Stepputtis, Katia Sycara, Yaqi Xie
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Test-time adaptation, which enables models to generalize to diverse data with unlabeled test samples, holds significant value in real-world scenarios. Recently, researchers have applied this setting to advanced pre-trained vision-language models (VLMs), developing approaches such as test-time prompt tuning to further extend their practical applicability. However, these methods typically focus solely on adapting VLMs from a single modality and fail to accumulate task-specific knowledge as more samples are processed. To address this, we introduce Dual Prototype Evolving (DPE), a novel test-time adaptation approach for VLMs that effectively accumulates task-specific knowledge from multi-modalities. Specifically, we create and evolve two sets of prototypes—textual and visual—to progressively capture more accurate multi-modal representations for target classes during test time. Moreover, to promote consistent multi-modal representations, we introduce and optimize learnable residuals for each test sample to align the prototypes from both modalities. Extensive experimental results on 15 benchmark datasets demonstrate that our proposed DPE consistently outperforms previous state-of-the-art methods while also exhibiting competitive computational efficiency.
Low Degree Hardness for Broadcasting on Trees
Authors: Han Huang, Elchanan Mossel
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the low-degree hardness of broadcasting on trees.Broadcasting on trees has been extensively studied in statistical physics, in computational biology in relation to phylogenetic reconstruction and in statistics and computer science in the context of block model inference,  and as a simple data model for algorithms that may require depth for inference. The inference of the root can be carried by celebrated Belief Propagation (BP) algorithm which achieves Bayes-optimal performance. Despite the fact that this algorithm runs in linear time (using real operations), recent works indicated that this algorithm in fact requires high level of complexity. Moitra, Mossel and Sandon constructed a chain for which estimating the root better than random (for a typical input) is $NC1$ complete. Kohler and Mossel constructed chains such that for trees with $N$ leaves, recovering the root better than random requires a polynomial of degree $N^{\Omega(1)}$. Both works above asked if such complexity bounds hold in general below the celebrated {\em Kesten-Stigum} bound. In this work, we prove that this is indeed the case for low degree polynomials. We show that for the broadcast problem using any Markov chain on trees with $N$ leaves, below the Kesten Stigum bound, any $O(\log N)$ degree polynomial has vanishing correlation with the root.  Our result is one of the first low-degree lower bound that is proved in a setting that is not based or easily reduced to a product measure.
Bag of Tricks: Benchmarking of Jailbreak Attacks on LLMs
Authors: Zhao XU, Fan LIU, Hao LIU
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Although Large Language Models (LLMs) have demonstrated significant capabilities in executing complex tasks in a zero-shot manner, they are susceptible to jailbreak attacks and can be manipulated to produce harmful outputs. Recently, a growing body of research has categorized jailbreak attacks into token-level and prompt-level attacks.  However, previous work primarily overlooks the diverse key factors of jailbreak attacks, with most studies concentrating on LLM vulnerabilities and lacking exploration of defense-enhanced LLMs. To address these issues, we introduced JailTrickBench to evaluate the impact of various attack settings on LLM performance and provide a baseline for jailbreak attacks, encouraging the adoption of a standardized evaluation framework. Specifically, we evaluate the eight key factors of implementing jailbreak attacks on LLMs from both target-level and attack-level perspectives. We further conduct seven representative jailbreak attacks on six defense methods across two widely used datasets, encompassing approximately 354 experiments with about 55,000 GPU hours on A800-80G. Our experimental results highlight the need for standardized benchmarking to evaluate these attacks on defense-enhanced LLMs. Our code is available at https://github.com/usail-hkust/JailTrickBench.
Latent Learning Progress Drives Autonomous Goal Selection in Human Reinforcement Learning
Authors: Gaia Molinaro, Cédric Colas, Pierre-Yves Oudeyer, Anne G. E. Collins
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Humans are autotelic agents who learn by setting and pursuing their own goals. However, the precise mechanisms guiding human goal selection remain unclear. Learning progress, typically measured as the observed change in performance, can provide a valuable signal for goal selection in both humans and artificial agents. We hypothesize that human choices of goals may also be driven by latent learning progress, which humans can estimate through knowledge of their actions and the environment – even without experiencing immediate changes in performance. To test this hypothesis, we designed a hierarchical reinforcement learning task in which human participants (N = 175) repeatedly chose their own goals and learned goal-conditioned policies. Our behavioral and computational modeling results confirm the influence of latent learning progress on goal selection and uncover inter-individual differences, partially mediated by recognition of the task's hierarchical structure. By investigating the role of latent learning progress in human goal selection, we pave the way for more effective and personalized learning experiences as well as the advancement of more human-like autotelic machines.
The tree autoencoder model, with application to hierarchical data visualization
Authors: Miguel Á. Carreira-Perpiñán, Kuat Gazizov
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose a new model for dimensionality reduction, the PCA tree, which works like a regular autoencoder, having explicit projection and reconstruction mappings. The projection is effected by a sparse oblique tree, having hard, hyperplane splits using few features and linear leaves. The reconstruction mapping is a set of local linear mappings. Thus, rather than producing a global map as in t-SNE and other methods, which often leads to distortions, it produces a hierarchical set of local PCAs. The use of a sparse oblique tree and PCA makes the overall model interpretable and very fast to project or reconstruct new points. Joint optimization of all the parameters in the tree is a nonconvex nondifferentiable problem. We propose an algorithm that is guaranteed to decrease the error monotonically and which scales to large datasets without any approximation. In experiments, we show PCA trees are able to identify a wealth of low-dimensional and cluster structure in image and document datasets.
Neural Network Reparametrization for Accelerated Optimization in Molecular Simulations
Authors: Nima Dehmamy, Csaba Both, Jeet Mohapatra, Subhro Das, Tommi Jaakkola
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We propose a novel approach to molecular simulations using neural network reparametrization, which offers a flexible alternative to traditional coarse-graining methods. Unlike conventional techniques that strictly reduce degrees of freedom, the complexity of the system can be adjusted in our model, sometimes increasing it to simplify the optimization process. Our approach also maintains continuous access to fine-grained modes and eliminates the need for force-matching, enhancing both the efficiency and accuracy of energy minimization.Importantly, our framework allows for the use of potentially arbitrary neural networks (e.g., Graph Neural Networks (GNN)) to perform the reparametrization, incorporating CG modes as needed. In fact, our experiments using very weak molecular forces (Lennard-Jones potential) the GNN-based model is the sole model to find the correct configuration. Similarly, in protein-folding scenarios, our GNN-based CG method consistently outperforms traditional optimization methods. It not only recovers the target structures more accurately but also achieves faster convergence to the deepest energy states.This work demonstrates significant advancements in molecular simulations by optimizing energy minimization and convergence speeds, offering a new, efficient framework for simulating complex molecular systems.
Large Language Models' Expert-level Global History Knowledge Benchmark (HiST-LLM)
Authors: Jakob Hauser, Daniel Kondor, Jenny Reddish, Majid Benam, Enrico Cioni, Federica Villa, James S. Bennett, Daniel Hoyer, Pieter Francois, Peter Turchin, R. Maria del Rio-Chanona
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Large Language Models (LLMs) have the potential to transform humanities and social science research, yet their history knowledge and comprehension at a graduate level remains untested. Benchmarking LLMs in history is particularly challenging, given that human knowledge of history is inherently unbalanced, with more information available on Western history and recent periods. We introduce the History Seshat Test for LLMs (HiST-LLM), based on a subset of the Seshat Global History Databank, which provides a structured representation of human historical knowledge, containing 36,000 data points across 600 historical societies and over 2,700 scholarly references. This dataset covers every major world region from the Neolithic period to the Industrial Revolution and includes information reviewed and assembled by history experts and graduate research assistants. Using this dataset, we benchmark a total of seven models from the Gemini, OpenAI, and Llama families. We find that, in a four-choice format, LLMs have a balanced accuracy ranging from 33.6% (Llama-3.1-8B) to 46% (GPT-4-Turbo), outperforming random guessing (25%) but falling short of expert comprehension. LLMs perform better on earlier historical periods. Regionally, performance is more even but still better for the Americas and lowest in Oceania and Sub-Saharan Africa for the more advanced models. Our benchmark shows that while LLMs possess some expert-level historical knowledge, there is considerable room for improvement.
Your Diffusion Model is Secretly a Noise Classifier and Benefits from Contrastive Training
Authors: Yunshu Wu, Yingtao Luo, Xianghao Kong, Evangelos E. Papalexakis, Greg Ver Steeg
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models learn to denoise data and the trained denoiser is then used to generate new samples from the data distribution. In this paper, we revisit the diffusion sampling process and identify a fundamental cause of sample quality degradation: the denoiser is poorly estimated in regions that are far Outside Of the training Distribution (OOD), and the sampling process inevitably evaluates in these OOD regions.This can become problematic for all sampling methods, especially when we move to parallel sampling which requires us to initialize and update the entire sample trajectory of dynamics in parallel, leading to many OOD evaluations. To address this problem, we introduce a new self-supervised training objective that differentiates the levels of noise added to a sample, leading to improved OOD denoising performance. The approach is based on our observation that diffusion models implicitly define a log-likelihood ratio that distinguishes distributions with different amounts of noise, and this expression depends on denoiser performance outside the standard training distribution.We show by diverse experiments that the proposed contrastive diffusion training is effective for both sequential and parallel settings, and it improves the performance and speed of parallel samplers significantly. Code for our paper can be found at https://github.com/yunshuwu/ContrastiveDiffusionLoss
Distribution Guidance Network for Weakly Supervised Point Cloud Semantic Segmentation
Authors: Zhiyi Pan, Wei Gao, Shan Liu, Ge Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite alleviating the dependence on dense annotations inherent to fully supervised methods, weakly supervised point cloud semantic segmentation suffers from inadequate supervision signals. In response to this challenge, we introduce a novel perspective that imparts auxiliary constraints by regulating the feature space under weak supervision. Our initial investigation identifies which distributions accurately characterize the feature space, subsequently leveraging this priori to guide the alignment of the weakly supervised embeddings. Specifically, we analyze the superiority of the mixture of von Mises-Fisher distributions (moVMF) among several common distribution candidates. Accordingly, we develop a Distribution Guidance Network (DGNet), which comprises a weakly supervised learning branch and a distribution alignment branch. Leveraging reliable clustering initialization derived from the weakly supervised learning branch, the distribution alignment branch alternately updates the parameters of the moVMF and the network, ensuring alignment with the moVMF-defined latent space. Extensive experiments validate the rationality and effectiveness of our distribution choice and network design. Consequently, DGNet achieves state-of-the-art performance under multiple datasets and various weakly supervised settings.
Stabilizing Linear Passive-Aggressive Online Learning with Weighted Reservoir Sampling
Authors: Skyler Wu, Fred Lu, Edward Raff, James Holt
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Online learning methods, like the seminal Passive-Aggressive (PA) classifier, are still highly effective for high-dimensional streaming data, out-of-core processing, and other throughput-sensitive applications. Many such algorithms rely on fast adaptation to individual errors as a key to their convergence. While such algorithms enjoy low theoretical regret, in real-world deployment they can be sensitive to individual outliers that cause the algorithm to over-correct. When such outliers occur at the end of the data stream, this can cause the final solution to have unexpectedly low accuracy. We design a weighted reservoir sampling (WRS) approach to obtain a stable ensemble model from the sequence of solutions without requiring additional passes over the data, hold-out sets, or a growing amount of memory. Our key insight is that good solutions tend to be error-free for more iterations than bad solutions, and thus, the number of passive rounds provides an estimate of a solution's relative quality. Our reservoir thus contains $K$ previous intermediate weight vectors with high survival times. We demonstrate our WRS approach on the Passive-Aggressive Classifier (PAC) and First-Order Sparse Online Learning (FSOL), where our method consistently and significantly outperforms the unmodified approach. We show that the risk of the ensemble classifier is bounded with respect to the regret of the underlying online learning method.
Separation and Bias of Deep Equilibrium Models on Expressivity and Learning Dynamics
Authors: Zhoutong Wu, Yimu Zhang, Cong Fang, Zhouchen Lin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The deep equilibrium model (DEQ) generalizes the conventional feedforward neural network by fixing the same weights for each layer block and extending the number of layers to infinity. This novel model directly finds the fixed points of such a forward process as features for prediction.  Despite empirical evidence showcasing its efficacy compared to feedforward neural networks, a theoretical understanding for its separation and bias is still limited.  In this paper, we take a stepby proposing some separations and studying the bias of DEQ in its expressive power and learning dynamics.   The results include: (1) A general separation is proposed, showing the existence of a width-$m$ DEQ that any fully connected neural networks (FNNs) with depth $O(m^{\alpha})$ for $\alpha \in (0,1)$ cannotapproximate unless its width is sub-exponential in $m$; (2) DEQ with polynomially bounded size and magnitude can efficiently approximate certain steep functions (which has very large derivatives) in $L^{\infty}$ norm, whereas FNN with bounded depth and exponentially bounded width cannot unless its weights magnitudes are exponentially large; (3) The implicit regularization caused by gradient flow from a diagonal linear DEQ is characterized, with specific examples showing the benefits brought by such regularization. From the overall study, a high-level conjecture from our analysis and empirical validations is that DEQ has potential advantages in learning certain high-frequency components.
MatrixNet: Learning over symmetry groups using learned group representations
Authors: Lucas Laird, Circe Hsu, Asilata Bapat, Robin Walters
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Group theory has been used in machine learning to provide a theoretically grounded approach for incorporating known symmetry transformations in tasks from robotics to protein modeling. In these applications, equivariant neural networks use knownsymmetry groups with predefined representations to learn over geometric input data. We propose MatrixNet, a neural network architecture that learns matrix representations of group element inputs instead of using predefined representations. MatrixNet achieves higher sample efficiency and generalization over several standard baselines in prediction tasks over the several finite groups and the Artin braid group. We also show that MatrixNet respects group relations allowing generalization to group elements of greater word length than in the training set. Our code is available at https://github.com/lucas-laird/MatrixNet.
Statistical and Geometrical properties of the Kernel Kullback-Leibler divergence
Authors: Clémentine Chazal, Anna Korba, Francis Bach
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we study the statistical and geometrical properties of the Kullback-Leibler divergence with kernel covariance operators (KKL) introduced by [Bach, 2022, Information Theory with Kernel Methods]. Unlike the classical Kullback-Leibler (KL) divergence that involves density ratios, the KKL compares probability distributions through covariance operators (embeddings) in a reproducible kernel Hilbert space (RKHS), and compute the Kullback-Leibler quantum divergence. This novel divergence hence shares parallel but different aspects with both the standard Kullback-Leibler between probability distributions and kernel embeddings metrics such as the maximum mean discrepancy. A limitation faced with the original KKL divergence is its inability to be defined for distributions with disjoint supports. To solve this problem, we propose in this paper a regularised variant that guarantees that divergence is well defined for all distributions. We derive bounds that quantify the deviation of the regularised KKL to the original one, as well as concentration bounds. In addition, we provide a closed-form expression for the regularised KKL, specifically applicable when the distributions consist of finite sets of points, which makes it implementable. Furthermore, we derive a Wasserstein gradient descent scheme of the KKL divergence in the case of discrete distributions, and study empirically its properties to transport a set of points to a target distribution.
Masked Pre-training Enables Universal Zero-shot Denoiser
Authors: Xiaoxiao Ma, Zhixiang Wei, Yi Jin, Pengyang Ling, Tianle Liu, Ben Wang, Junkang Dai, Huaian Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this work, we observe that model trained on vast general images via masking strategy, has been naturally embedded with their distribution knowledge, thus spontaneously attains the underlying potential for strong image denoising.Based on this observation, we propose a novel zero-shot denoising paradigm, i.e., $\textbf{M}$asked $\textbf{P}$re-train then $\textbf{I}$terative fill ($\textbf{MPI}$).MPI first trains model via masking and then employs pre-trained weight for high-quality zero-shot image denoising on a single noisy image.Concretely, MPI comprises two key procedures:$\textbf{1) Masked Pre-training}$ involves training model to reconstruct massive natural images with random masking for generalizable representations, gathering the potential for valid zero-shot denoising on images with varying noise degradation and even in distinct image types.$\textbf{2) Iterative filling}$ exploits pre-trained knowledge for effective zero-shot denoising. It iteratively optimizes the image by leveraging pre-trained weights, focusing on alternate reconstruction of different image parts, and gradually assembles fully denoised image within limited number of iterations.Comprehensive experiments across various noisy scenarios underscore the notable advances of MPI over previous approaches with a marked reduction in inference time.
Adaptive Image Quality Assessment via Teaching Large Multimodal Model to Compare
Authors: Hanwei Zhu, Haoning Wu, Yixuan Li, Zicheng Zhang, Baoliang Chen, Lingyu Zhu, Yuming Fang, Guangtao Zhai, Weisi Lin, Shiqi Wang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: While recent advancements in large multimodal models (LMMs) have significantly improved their abilities in image quality assessment (IQA) relying on absolute quality rating, how to transfer reliable relative quality comparison outputs to continuous perceptual quality scores remains largely unexplored. To address this gap, we introduce an all-around LMM-based NR-IQA model, which is capable of producing qualitatively comparative responses and effectively translating these discrete comparison outcomes into a continuous quality score. Specifically, during training, we present to generate scaled-up comparative instructions by comparing images from the same IQA dataset, allowing for more flexible integration of diverse IQA datasets. Utilizing the established large-scale training corpus, we develop a human-like visual quality comparator. During inference, moving beyond binary choices, we propose a soft comparison method that calculates the likelihood of the test image being preferred over multiple predefined anchor images. The quality score is further optimized by maximum a posteriori estimation with the resulting probability matrix. Extensive experiments on nine IQA datasets validate that the Compare2Score effectively bridges text-defined comparative levels during training with converted single image quality scores for inference, surpassing state-of-the-art IQA models across diverse scenarios. Moreover, we verify that the probability-matrix-based inference conversion not only improves the rating accuracy of Compare2Score but also zero-shot general-purpose LMMs, suggesting its intrinsic effectiveness.
Fast Best-of-N Decoding via Speculative Rejection
Authors: Hanshi Sun, Momin Haider, Ruiqi Zhang, Huitao Yang, Jiahao Qiu, Ming Yin, Mengdi Wang, Peter L. Bartlett, Andrea Zanette
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The safe and effective deployment of Large Language Models (LLMs) involves a critical step called alignment, which ensures that the model's responses are in accordance with human preferences. Prevalent alignment techniques, such as DPO, PPO and their variants, align LLMs by changing the pre-trained model weights during a phase called post-training. While predominant, these post-training methods add substantial complexity before LLMs can be deployed. Inference-time alignment methods avoid the complex post-training step and instead bias the generation towards responses that are aligned with human preferences. The best-known inference-time alignment method, called Best-of-N, is as effective as the state-of-the-art post-training procedures. Unfortunately, Best-of-N requires vastly more resources at inference time than standard decoding strategies, which makes it computationally not viable. In this work, we introduce Speculative Rejection, a computationally-viable inference-time alignment algorithm. It generates high-scoring responses according to a given reward model, like Best-of-N does, while being between 16 to 32 times more computationally efficient.
PointMamba: A Simple State Space Model for Point Cloud Analysis
Authors: Dingkang Liang, Xin Zhou, Wei Xu, Xingkui Zhu, Zhikang Zou, Xiaoqing Ye, Xiao Tan, Xiang Bai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transformers have become one of the foundational architectures in point cloud analysis tasks due to their excellent global modeling ability. However, the attention mechanism has quadratic complexity, making the design of a linear complexity method with global modeling appealing. In this paper, we propose PointMamba, transferring the success of Mamba, a recent representative state space model (SSM), from NLP to point cloud analysis tasks. Unlike traditional Transformers, PointMamba employs a linear complexity algorithm, presenting global modeling capacity while significantly reducing computational costs. Specifically, our method leverages space-filling curves for effective point tokenization and adopts an extremely simple, non-hierarchical Mamba encoder as the backbone. Comprehensive evaluations demonstrate that PointMamba achieves superior performance across multiple datasets while significantly reducing GPU memory usage and FLOPs. This work underscores the potential of SSMs in 3D vision-related tasks and presents a simple yet effective Mamba-based baseline for future research. The code is available at https://github.com/LMD0311/PointMamba.
Distributional regression: CRPS-error bounds for model fitting, model selection and convex aggregation
Authors: Clément Dombry, Ahmed Zaoui
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Distributional regression aims at estimating the conditional distribution of a target variable given explanatory co-variates. It is a crucial tool for forecasting when a precise uncertainty quantification is required. A popular methodology consists in fitting a parametric model via empirical risk minimization where the risk is measured by the Continuous Rank Probability Score (CRPS). For independent and identically distributed observations, we provide a concentration result for the estimation error and an upper bound for its expectation. Furthermore, we consider model selection performed by minimization of the validation error and provide a concentration bound for the regret. A similar result is proved for convex aggregation of models. Finally, we show that our results may be applied to various models such as EMOS, distributional regression networks, distributional nearest neighbours or distributional random forests and we illustrate our findings on two data sets (QSAR aquatic toxicity and Airfoil self-noise).
Non-convolutional graph neural networks.
Authors: Yuanqing Wang, Kyunghyun Cho
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Rethink convolution-based graph neural networks (GNN)---they characteristically suffer from limited expressiveness, over-smoothing, and over-squashing, and require specialized sparse kernels for efficient computation.Here, we design a simple graph learning module entirely free of convolution operators, coined random walk with unifying memory (RUM) neural network, where an RNN merges the topological and semantic graph features along the random walks terminating at each node.Relating the rich literature on RNN behavior and graph topology, we theoretically show and experimentally verify that RUM attenuates the aforementioned symptoms and is more expressive than the Weisfeiler-Lehman (WL) isomorphism test.On a variety of node- and graph-level classification and regression tasks, RUM not only achieves competitive performance, but is also robust, memory-efficient, scalable, and faster than the simplest convolutional GNNs.
TripletCLIP:  Improving Compositional Reasoning of CLIP via Synthetic Vision-Language Negatives
Authors: Maitreya Patel, Abhiram Kusumba, Sheng Cheng, Changhoon Kim, Tejas Gokhale, Chitta Baral, Yezhou Yang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Contrastive Language-Image Pretraining (CLIP) models maximize the mutual information between text and visual modalities to learn representations. This makes the nature of the training data a significant factor in the efficacy of CLIP for downstream tasks. However, the lack of compositional diversity in contemporary image-text datasets limits the compositional reasoning ability of CLIP. We show that generating ``hard'' negative captions via in-context learning and synthesizing corresponding negative images with text-to-image generators offers a solution. We introduce a novel contrastive pre-training strategy that leverages these hard negative captions and images in an alternating fashion to train CLIP. We demonstrate that our method, named TripletCLIP, when applied to existing datasets such as CC3M and CC12M, enhances the compositional capabilities of CLIP, resulting in an absolute improvement of over 9% on the SugarCrepe benchmark on an equal computational budget, as well as improvements in zero-shot image classification and image retrieval. Our code, models, and data are available at: tripletclip.github.io.
Where does In-context Learning Happen in Large Language Models?
Authors: Suzanna Sia, David Mueller, Kevin Duh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Self-supervised large language models have demonstrated the ability to perform various tasks via in-context learning, but little is known about where the model locates the task with respect to prompt instructions and demonstration examples. In this work, we attempt to characterize the region where large language models transition from recognizing the task to performing the task. Through a series of layer-wise context-masking experiments on GPTNeo2.7B, Bloom3B, Starcoder2-7B, Llama3.1-8B, Llama3.1-8B-Instruct, on Machine Translation and Code generation, we demonstrate evidence of a "task recognition" point where the task is encoded into the input representations and attention to context is no longer necessary. Taking advantage of this redundancy results in 45% computational savings when prompting with 5 examples, and task recognition achieved at layer 14 / 32 using an example with Machine Translation. Our findings also have implications for resource and parameter efficient fine-tuning; we observe a correspondence between strong fine-tuning performance of individual LoRA layers and the task recognition layers.
Fine-grained Control of Generative Data Augmentation in IoT Sensing
Authors: Tianshi Wang, Qikai Yang, Ruijie Wang, Dachun Sun, Jinyang Li, Yizhuo Chen, Yigong Hu, Chaoqi Yang, Tomoyoshi Kimura, Denizhan Kara, Tarek Abdelzaher
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Internet of Things (IoT) sensing models often suffer from overfitting due to data distribution shifts between training dataset and real-world scenarios. To address this, data augmentation techniques have been adopted to enhance model robustness by bolstering the diversity of synthetic samples within a defined vicinity of existing samples. This paper introduces a novel paradigm of data augmentation for IoT sensing signals by adding fine-grained control to generative models. We define a metric space with statistical metrics that capture the essential features of the short-time Fourier transformed (STFT) spectrograms of IoT sensing signals. These metrics serve as strong conditions for a generative model, enabling us to tailor the spectrogram characteristics in the time-frequency domain according to specific application needs. Furthermore, we propose a set of data augmentation techniques within this metric space to create new data samples. Our method is evaluated across various generative models, datasets, and downstream IoT sensing models. The results demonstrate that our approach surpasses the conventional transformation-based data augmentation techniques and prior generative data augmentation models.
A Systematic Review of NeurIPS Dataset Management Practices
Authors: Yiwei Wu, Leah Ajmani, Shayne Longpre, Hanlin Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: As new machine learning methods demand larger training datasets, researchers and developers face significant challenges in dataset management. Although ethics reviews, documentation, and checklists have been established, it remains uncertain whether consistent dataset management practices exist across the community. This lack of a comprehensive overview hinders our ability to diagnose and address fundamental tensions and ethical issues related to managing large datasets. We present a systematic review of datasets published at the NeurIPS Datasets and Benchmarks track, focusing on four key aspects: provenance, distribution, ethical disclosure, and licensing. Our findings reveal that dataset provenance is often unclear due to ambiguous filtering and curation processes. Additionally, a variety of sites are used for dataset hosting, but only a few offer structured metadata and version control. These inconsistencies underscore the urgent need for standardized data infrastructures for the publication and management of datasets.
Geodesic Optimization for Predictive Shift Adaptation on EEG data
Authors: Apolline Mellot, Antoine Collas, Sylvain Chevallier, Alexandre Gramfort, Denis A. Engemann
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Electroencephalography (EEG) data is often collected from diverse contexts involving different populations and EEG devices. This variability can induce distribution shifts in the data $X$ and in the biomedical variables of interest $y$, thus limiting the application of supervised machine learning (ML) algorithms. While domain adaptation (DA) methods have been developed to mitigate the impact of these shifts, such methods struggle when distribution shifts occur simultaneously in $X$ and $y$. As state-of-the-art ML models for EEG represent the data by spatial covariance matrices, which lie on the Riemannian manifold of Symmetric Positive Definite (SPD) matrices, it is appealing to study DA techniques operating on the SPD manifold. This paper proposes a novel method termed Geodesic Optimization for Predictive Shift Adaptation (GOPSA) to address test-time multi-source DA for situations in which source domains have distinct $y$ distributions. GOPSA exploits the geodesic structure of the Riemannian manifold to jointly learn a domain-specific re-centering operator representing site-specific intercepts and the regression model. We performed empirical benchmarks on the cross-site generalization of age-prediction models with resting-state EEG data from a large multi-national dataset (HarMNqEEG), which included $14$ recording sites and more than $1500$ human participants. Compared to state-of-the-art methods, our results showed that GOPSA achieved significantly higher performance on three regression metrics ($R^2$, MAE, and Spearman's $\rho$) for several source-target site combinations, highlighting its effectiveness in tackling multi-source DA with predictive shifts in EEG data analysis. Our method has the potential to combine the advantages of mixed-effects modeling with machine learning for biomedical applications of EEG, such as multicenter clinical trials.
Improved Few-Shot Jailbreaking Can Circumvent Aligned Language Models and Their Defenses
Authors: Xiaosen Zheng, Tianyu Pang, Chao Du, Qian Liu, Jing Jiang, Min Lin
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recently, Anil et al. (2024) show that many-shot (up to hundreds of) demonstrations can jailbreak state-of-the-art LLMs by exploiting their long-context capability. Nevertheless, is it possible to use few-shot demonstrations to efficiently jailbreak LLMs within limited context sizes? While the vanilla few-shot jailbreaking may be inefficient, we propose improved techniques such as injecting special system tokens like 
 and employing demo-level random search from a collected demo pool. These simple techniques result in surprisingly effective jailbreaking against aligned LLMs (even with advanced defenses). For example, our method achieves >80% (mostly >95%) ASRs on Llama-2-7B and Llama-3-8B without multiple restarts, even if the models are enhanced by strong defenses such as perplexity detection and/or SmoothLLM, which is challenging for suffix-based jailbreaking. In addition, we conduct comprehensive and elaborate (e.g., making sure to use correct system prompts) evaluations against other aligned LLMs and advanced defenses, where our method consistently achieves nearly 100% ASRs. Our code is available at https://github.com/sail-sg/I-FSJ.
Stylus: Automatic Adapter Selection for Diffusion Models
Authors: Michael Luo, Justin Wong, Brandon Trabucco, Yanping Huang, Joseph E. Gonzalez, Zhifeng Chen, Ruslan Salakhutdinov, Ion Stoica
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Beyond scaling base models with more data or parameters, fine-tuned adapters provide an alternative way to generate high fidelity, custom images at reduced costs. As such, adapters have been widely adopted by open-source communities, accumulating a database of over 100K adapters—most of which are highly customized with insufficient descriptions. To generate high quality images, this paper explores the problem of matching the prompt to a Stylus of relevant adapters, built on recent work that highlight the performance gains of composing adapters. We introduce Stylus, which efficiently selects and automatically composes task-specific adapters based on a prompt's keywords. Stylus outlines a three-stage approach that first summarizes adapters with improved descriptions and embeddings, retrieves relevant adapters, and then further assembles adapters based on prompts' keywords by checking how well they fit the prompt. To evaluate Stylus, we developed StylusDocs, a curated dataset featuring 75K adapters with pre-computed adapter embeddings. In our evaluation on popular Stable Diffusion checkpoints, Stylus achieves greater CLIP/FID Pareto efficiency and is twice as preferred, with humans and multimodal models as evaluators, over the base model.
The Surprising Ineffectiveness of Pre-Trained Visual Representations for Model-Based Reinforcement Learning
Authors: Moritz Schneider, Robert Krug, Narunas Vaskevicius, Luigi Palmieri, Joschka Boedecker
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Visual Reinforcement Learning (RL) methods often require extensive amounts of data. As opposed to model-free RL, model-based RL (MBRL) offers a potential solution with efficient data utilization through planning. Additionally, RL lacks generalization capabilities for real-world tasks. Prior work has shown that incorporating pre-trained visual representations (PVRs) enhances sample efficiency and generalization. While PVRs have been extensively studied in the context of model-free RL, their potential in MBRL remains largely unexplored. In this paper, we benchmark a set of PVRs on challenging control tasks in a model-based RL setting. We investigate the data efficiency, generalization capabilities, and the impact of different properties of PVRs on the performance of model-based agents. Our results, perhaps surprisingly, reveal that for MBRL current PVRs are not more sample efficient than learning representations from scratch, and that they do not generalize better to out-of-distribution (OOD) settings. To explain this, we analyze the quality of the trained dynamics model. Furthermore, we show that data diversity and network architecture are the most important contributors to OOD generalization performance.
DiMSUM: Diffusion Mamba - A Scalable and Unified Spatial-Frequency Method for Image Generation
Authors: Hao Phung, Quan Dao, Trung Dao, Hoang Phan, Dimitris N. Metaxas, Anh Tran
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We introduce a novel state-space architecture for diffusion models, effectively harnessing spatial and frequency information to enhance the inductive bias towards local features in input images for image generation tasks. While state-space networks, including Mamba, a revolutionary advancement in recurrent neural networks, typically scan input sequences from left to right, they face difficulties in designing effective scanning strategies, especially in the processing of image data. Our method demonstrates that integrating wavelet transformation into Mamba enhances the local structure awareness of visual inputs and better captures long-range relations of frequencies by disentangling them into wavelet subbands, representing both low- and high-frequency components. These wavelet-based outputs are then processed and seamlessly fused with the original Mamba outputs through a cross-attention fusion layer, combining both spatial and frequency information to optimize the order awareness of state-space models which is essential for the details and overall quality of image generation. Besides, we introduce a globally-shared transformer to supercharge the performance of Mamba, harnessing its exceptional power to capture global relationships. Through extensive experiments on standard benchmarks, our method demonstrates superior results compared to DiT and DIFFUSSM, achieving faster training convergence and delivering high-quality outputs. The codes and pretrained models are released at https://github.com/VinAIResearch/DiMSUM.git.
Graph-based Uncertainty Metrics for Long-form Language Model Generations
Authors: Mingjian Jiang, Yangjun Ruan, Prasanna Sattigeri, Salim Roukos, Tatsunori Hashimoto
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent advancements in Large Language Models (LLMs) have significantly improved text generation capabilities, but these systems are still known to hallucinate, and granular uncertainty estimation for long-form LLM generations remains challenging. In this work, we propose Graph Uncertainty -- which represents the relationship between LLM generations and claims within them as a bipartite graph and estimates the claim-level uncertainty with a family of graph centrality metrics. Under this view, existing uncertainty estimation methods based on the concept of self-consistency can be viewed as using degree centrality as an uncertainty measure, and we show that more sophisticated alternatives such as closeness centrality provide consistent gains at claim-level uncertainty estimation.Moreover, we present uncertainty-aware decoding techniques that leverage both the graph structure and uncertainty estimates to improve the factuality of LLM generations by preserving only the most reliable claims. Compared to existing methods, our graph-based uncertainty metrics lead to an average of 6.8% relative gains on AUPRC across various long-form generation settings, and our end-to-end system provides consistent 2-4% gains in factuality over existing decoding techniques while significantly improving the informativeness of generated responses.
Sequence-Augmented SE(3)-Flow Matching For Conditional Protein Generation
Authors: Guillaume Huguet, James Vuckovic, Kilian Fatras, Eric Thibodeau-Laufer, Pablo Lemos, Riashat Islam, Cheng-Hao Liu, Jarrid Rector-Brooks, Tara Akhound-Sadegh, Michael Bronstein, Alexander Tong, Avishek Joey Bose
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Proteins are essential for almost all biological processes and derive their diverse functions from complex $3 \rm D$ structures, which are in turn determined by their amino acid sequences. In this paper, we exploit the rich biological inductive bias of amino acid sequences and introduce FoldFlow++, a novel sequence-conditioned $\text{SE}(3)$-equivariant flow matching model for protein structure generation. FoldFlow++ presents substantial new architectural features over the previous FoldFlow family of models including a protein large language model to encode sequence, a new multi-modal fusion trunk that combines structure and sequence representations, and a geometric transformer based decoder. To increase diversity and novelty of generated samples -- crucial for de-novo drug design -- wetrain FoldFlow++ at scale on a new dataset that is an order of magnitude larger than PDB datasets of prior works, containing both known proteins in PDB and high-quality synthetic structures achieved through filtering. We further demonstrate the ability to align FoldFlow++ to arbitrary rewards, e.g. increasing secondary structures diversity, by introducing a Reinforced Finetuning (ReFT) objective. We empirically observe that FoldFlow++ outperforms previous state-of-the-art protein structure-based generative models, improving over RFDiffusion in terms of unconditional generation across all metrics including designability, diversity, and novelty across all protein lengths, as well as exhibiting generalization on the task of equilibrium conformation sampling. Finally, we demonstrate that a fine-tuned FoldFlow++ makes progress on challenging conditional design tasks such as designing scaffolds for the VHH nanobody.
GaussianMarker: Uncertainty-Aware Copyright Protection of 3D Gaussian Splatting
Authors: Xiufeng Huang, Ruiqi Li, Yiu-ming Cheung, Ka Chun Cheung, Simon See, Renjie Wan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: 3D Gaussian Splatting (3DGS) has become a crucial method for acquiring 3D assets. To protect the copyright of these assets, digital watermarking techniques can be applied to embed ownership information discreetly within 3DGS mod- els. However, existing watermarking methods for meshes, point clouds, and implicit radiance fields cannot be directly applied to 3DGS models, as 3DGS models use explicit 3D Gaussians with distinct structures and do not rely on neural networks. Naively embedding the watermark on a pre-trained 3DGS can cause obvious distortion in rendered images. In our work, we propose an uncertainty- based method that constrains the perturbation of model parameters to achieve invisible watermarking for 3DGS. At the message decoding stage, the copyright messages can be reliably extracted from both 3D Gaussians and 2D rendered im- ages even under various forms of 3D and 2D distortions. We conduct extensive experiments on the Blender, LLFF, and MipNeRF-360 datasets to validate the effectiveness of our proposed method, demonstrating state-of-the-art performance on both message decoding accuracy and view synthesis quality.