mtybilly/Instruct2DS huggingface dataset:
Visual Pinwheel Centers Act as Geometric Saliency Detectors
Authors: Mingyi Huang, Wei P. Dai, Haoyu Wang, Anna Wang Roe, Yuguo Yu Haixin Zhong
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: During natural evolution, the primary visual cortex (V1) of lower mammals typically forms salt-and-pepper organizations, while higher mammals and primates develop pinwheel structures with distinct topological properties. Despite the general belief that V1 neurons primarily serve as edge detectors, the functional advantages of pinwheel structures over salt-and-peppers are not well recognized. To this end, we propose a two-dimensional self-evolving spiking neural network that integrates Hebbian-like plasticity and empirical morphological data. Through extensive exposure to image data, our network evolves from salt-and-peppers to pinwheel structures, with neurons becoming localized bandpass filters responsive to various orientations. This transformation is accompanied by an increase in visual field overlap. Our findings indicate that neurons in pinwheel centers (PCs) respond more effectively to complex spatial textures in natural images, exhibiting quicker responses than those in salt-and-pepper organizations. PCs act as first-order stage processors with heightened sensitivity and reduced latency to intricate contours, while adjacent iso-orientation domains serve as second-order stage processors that refine edge representations for clearer perception. This study presents the first theoretical evidence that pinwheel structures function as crucial detectors of spatial contour saliency in the visual cortex.
Adaptive Layer Sparsity for Large Language Models via Activation Correlation Assessment
Authors: Lujun Li, Mark Lee, Shengjie Sun Wei Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large Language Models (LLMs) have revolutionized the field of natural language processing with their impressive capabilities. However, their enormous size presents challenges for deploying them in real-world applications. Traditional compression techniques, like pruning, often lead to suboptimal performance due to their uniform pruning ratios and lack of consideration for the varying importance of features across different layers. To address these limitations, we present a novel  Adaptive Layer Sparsity (ALS) approach to optimize LLMs. Our approach consists of two key steps. Firstly, we estimate the correlation matrix between intermediate layers by leveraging the concept of information orthogonality. This novel perspective allows for a precise measurement of the importance of each layer across the model. Secondly, we employ a linear optimization algorithm to develop an adaptive sparse allocation strategy based on evaluating the correlation matrix. This strategy enables us to selectively prune features in intermediate layers, achieving fine-grained optimization of the LLM model. Considering the varying importance across different layers, we can significantly reduce the model size without sacrificing performance. We conduct extensive experiments on publicly available language processing datasets, including the LLaMA-V1|V2|V3 family and OPT, covering various benchmarks. Our experimental results validate the effectiveness of our ALS method, showcasing its superiority over previous approaches. The performance gains demonstrate its potential for enhancing LLMs' efficiency and resource utilization. Notably, our approach surpasses the state-of-the-art models Wanda and SparseGPT, showcasing its ability to excel even under high sparsity levels.  Codes at: https://github.com/lliai/ALS.
Virtual Scanning: Unsupervised Non-line-of-sight Imaging from Irregularly Undersampled Transients
Authors: Huanjing Yue, Song Li, Xiangjun Yin, Yusen Hou, Yun Meng, Kai Zou, Xiaolong Hu, Jingyu Yang Xingyu Cui
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Non-line-of-sight (NLOS) imaging allows for seeing hidden scenes around corners through active sensing.Most previous algorithms for NLOS reconstruction require dense transients acquired through regular scans over a large relay surface, which limits their applicability in realistic scenarios with irregular relay surfaces.In this paper, we propose an unsupervised learning-based framework for NLOS imaging from irregularly undersampled transients~(IUT).Our method learns implicit priors from noisy irregularly undersampled transients without requiring paired data, which is difficult and expensive to acquire and align. To overcome the ambiguity of the measurement consistency constraint in inferring the albedo volume, we design a virtual scanning process that enables the network to learn within both range and null spaces for high-quality reconstruction.We devise a physics-guided SURE-based denoiser to enhance robustness to ubiquitous noise in low-photon imaging conditions. Extensive experiments on both simulated and real-world data validate the performance and generalization of our method.Compared with the state-of-the-art (SOTA) method, our method achieves higher fidelity, greater robustness, and remarkably faster inference times by orders of magnitude.The code and model are available at https://github.com/XingyuCuii/Virtual-Scanning-NLOS.
Learning to Edit Visual Programs with Self-Supervision
Authors: Renhao Zhang, Aditya Ganeshan, Daniel Ritchie R. Kenny Jones
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We design a system that learns how to edit visual programs. Our edit network consumes a complete input program and a visual target. From this input, we task our network with predicting a local edit operation that could be applied to the input program to improve its similarity to the target. In order to apply this scheme for domains that lack program annotations, we develop a self-supervised learning approach that integrates this edit network into a bootstrapped finetuning loop along with a network that predicts entire programs in one-shot. Our joint finetuning scheme, when coupled with an inference procedure that initializes a population from the one-shot model and evolves members of this population with the edit network, helps to infer more accurate visual programs. Over multiple domains, we experimentally compare our method against the alternative of using only the one-shot model, and find that even under equal search-time budgets, our editing-based paradigm provides significant advantages.
DiffTORI: Differentiable Trajectory Optimization for Deep Reinforcement and Imitation Learning
Authors: Ziyu Wang, Yufei Wang, Zackory Erickson, David Held Weikang Wan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper introduces DiffTORI, which utilizes $\textbf{Diff}$erentiable $\textbf{T}$rajectory $\textbf{O}$ptimization as the policy representation to generate actions for deep $\textbf{R}$einforcement and $\textbf{I}$mitation learning. Trajectory optimization is a powerful and widely used algorithm in control, parameterized by a cost and a dynamics function. The key to our approach is to leverage the recent progress in differentiable trajectory optimization, which enables computing the gradients of the loss with respect to the parameters of trajectory optimization.  As a result, the cost and dynamics functions of trajectory optimization can be learned end-to-end. DiffTORI addresses the “objective mismatch” issue of prior model-based RL algorithms, as the dynamics model in DiffTORI is learned to directly maximize task performance by differentiating the policy gradient loss through the trajectory optimization process. We further benchmark DiffTORI  for imitation learning on standard robotic manipulation task suites with high-dimensional sensory observations and compare our method to feedforward policy classes as well as Energy-Based Models (EBM) and Diffusion. Across 15 model based RL tasks and 35 imitation learning tasks with high-dimensional image and point cloud inputs, DiffTORI outperforms prior state-of-the-art methods in both domains.
Amortized Bayesian Experimental Design for Decision-Making
Authors: Yujia Guo, Luigi Acerbi, Samuel Kaski Daolang Huang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Many critical decisions, such as personalized medical diagnoses and product pricing, are made based on insights gained from designing, observing, and analyzing a series of experiments. This highlights the crucial role of experimental design, which goes beyond merely collecting information on system parameters as in traditional Bayesian experimental design (BED), but also plays a key part in facilitating downstream decision-making. Most recent BED methods use an amortized policy network to rapidly design experiments. However, the information gathered through these methods is suboptimal for down-the-line decision-making, as the experiments are not inherently designed with downstream objectives in mind. In this paper, we present an amortized decision-aware BED framework that prioritizes maximizing downstream decision utility. We introduce a novel architecture, the Transformer Neural Decision Process (TNDP), capable of instantly proposing the next experimental design, whilst inferring the downstream decision, thus effectively amortizing both tasks within a unified workflow. We demonstrate the performance of our method across several tasks, showing that it can deliver informative designs and facilitate accurate decision-making.
xRAG: Extreme Context Compression for Retrieval-augmented Generation with One Token
Authors: Xun Wang, Xingxing Zhang, Tao Ge, Si-Qing Chen, Furu Wei, Huishuai Zhang, Dongyan Zhao Xin Cheng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper introduces xRAG, an innovative context compression method tailored for retrieval-augmented generation. xRAG reinterprets document embeddings in dense retrieval--traditionally used solely for retrieval--as features from the retrieval modality. By employing a modality fusion methodology, xRAG seamlessly integrates these embeddings into the language model representation space, effectively eliminating the need for their textual counterparts and achieving an extreme compression rate. In xRAG, the only trainable component is the modality bridge, while both the retriever and the language model remain frozen. This design choice allows for the reuse of offline-constructed document embeddings and preserves the plug-and-play nature of retrieval augmentation. Experimental results demonstrate that xRAG achieves an average improvement of over 10% across six knowledge-intensive tasks, adaptable to various language model backbones, ranging from a dense 7B model to an 8x7B Mixture of Experts configuration. xRAG not only significantly outperforms previous context compression methods but also matches the performance of uncompressed models on several datasets, while reducing overall FLOPs by a factor of 3.53. Our work pioneers new directions in retrieval-augmented generation from the perspective of multimodality fusion, and we hope it lays the foundation for future efficient and scalable retrieval-augmented systems.
Approximately Pareto-optimal Solutions for Bi-Objective k-Clustering
Authors: Jan Eube, Heiko Röglin, Melanie Schmidt, Sarah Sturm, Julian Wargalla Anna Arutyunova
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: As a major unsupervised learning method, clustering has received a lot of attention over multiple decades. The various clustering problems that have been studied intensively include, e.g., the $k$-means problem and the $k$-center problem. However, in applications, it is common that good clusterings should optimize multiple objectives (e.g., visualizing data on a map by clustering districts into areas that are both geographically compact but also homogeneous with respect to the data).  We study combinations of different objectives, for example optimizing $k$-center and $k$-means simultaneously or optimizing $k$-center with respect to two different metrics. Usually these objectives are conflicting and cannot be optimized simultaneously, making it necessary to find trade-offs. We develop novel algorithms for computing the set of Pareto-optimal solutions (approximately) for various combinations of two objectives. Our algorithms achieve provable approximation guarantees and we demonstrate in several experiments that the (approximate) Pareto set contains good clusterings that cannot be found by considering one of the objectives separately.
Customized Subgraph Selection and Encoding for Drug-drug Interaction Prediction
Authors: Quanming Yao, Juzheng Zhang, Yang Liu, Zhen Wang Haotong Du
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Subgraph-based methods have proven to be effective and interpretable in predicting drug-drug interactions (DDIs),which are essential for medical practice and drug development. Subgraph selection and encoding are critical stages in these methods, yet customizing these components remains underexplored due to the high cost of manual adjustments. In this study, inspired by the success of neural architecture search (NAS), we propose a method to search for data-specific components within subgraph-based frameworks. Specifically, we introduce extensive subgraph selection and encoding spaces that account for the diverse contexts of drug interactions in DDI prediction. To address the challenge of large search spaces and high sampling costs, we design a relaxation mechanism that uses an approximation strategy to efficiently explore optimal subgraph configurations. This approach allows for robust exploration of the search space. Extensive experiments demonstrate the effectiveness and superiority of the proposed method, with the discovered subgraphs and encoding functions highlighting the model’s adaptability.
LLM Processes: Numerical Predictive Distributions Conditioned on Natural Language
Authors: John Bronskill, Dami Choi, Richard E. Turner, David Duvenaud James Requeima
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Machine learning practitioners often face significant challenges in formally integrating their prior knowledge and beliefs into predictive models, limiting the potential for nuanced and context-aware analyses. Moreover, the expertise needed to integrate this prior knowledge into probabilistic modeling typically limits the application of these models to specialists. Our goal is to build a regression model that can process numerical data and make probabilistic predictions at arbitrary locations, guided by natural language text which describes a user's prior knowledge. Large Language Models (LLMs) provide a useful starting point for designing such a tool since they 1) provide an interface where users can incorporate expert insights in natural language and 2) provide an opportunity for leveraging latent problem-relevant knowledge encoded in LLMs that users may not have themselves. We start by exploring strategies for eliciting explicit, coherent numerical predictive distributions from LLMs. We examine these joint predictive distributions, which we call LLM Processes, over arbitrarily-many quantities in settings such as forecasting, multi-dimensional regression, black-box optimization, and image modeling. We investigate the practical details of prompting to elicit coherent predictive distributions, and demonstrate their effectiveness at regression. Finally, we demonstrate the ability to usefully incorporate text into numerical predictions, improving predictive performance and giving quantitative structure that reflects qualitative descriptions. This lets us begin to explore the rich, grounded hypothesis space that LLMs implicitly encode.
Generalizing Consistency Policy to Visual RL with Prioritized Proximal Experience Regularization
Authors: Zhennan Jiang, Yuhui Chen, Dongbin Zhao Haoran Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: With high-dimensional state spaces, visual reinforcement learning (RL) faces significant challenges in exploitation and exploration, resulting in low sample efficiency and training stability. As a time-efficient diffusion model, although consistency models have been validated in online state-based RL, it is still an open question whether it can be extended to visual RL. In this paper, we investigate the impact of non-stationary distribution and the actor-critic framework on consistency policy in online RL, and find that consistency policy was unstable during the training, especially in visual RL with the high-dimensional state space. To this end, we suggest sample-based entropy regularization to stabilize the policy training, and propose a consistency policy with prioritized proximal experience regularization (CP3ER) to improve sample efficiency. CP3ER achieves new state-of-the-art (SOTA) performance in 21 tasks across DeepMind control suite and Meta-world. To our knowledge, CP3ER is the first method to apply diffusion/consistency models to visual RL and demonstrates the potential of consistency models in visual RL.
WikiContradict: A Benchmark for Evaluating LLMs on Real-World Knowledge Conflicts from Wikipedia
Authors: Alessandra Pascale, Javier Carnerero-Cano, Tigran Tchrakian, Radu Marinescu, Elizabeth Daly, Inkit Padhi, Prasanna Sattigeri Yufang Hou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Retrieval-augmented generation (RAG) has emerged as a promising solution to mitigate the limitations of large language models (LLMs), such as hallucinations and outdated information. However, it remains unclear how LLMs handle knowledge conflicts arising from different augmented retrieved passages, especially when these passages originate from the same source and have equal trustworthiness. In this work, we conduct a comprehensive evaluation of LLM-generated answers to questions that have varying answers based on contradictory passages from Wikipedia, a dataset widely regarded as a high-quality pre-training resource for most LLMs. Specifically, we introduce WikiContradict, a benchmark consisting of 253 high-quality, human-annotated instances designed to assess the performance of LLMs in providing a complete perspective on conflicts from the retrieved documents, rather than choosing one answer over another, when augmented with retrieved passages containing real-world knowledge conflicts. We benchmark a diverse range of both closed and open-source LLMs under different QA scenarios, including RAG with a single  passage, and RAG with 2 contradictory passages. Through rigorous human evaluations on a subset of WikiContradict instances involving 5 LLMs and over 3,500 judgements, we shed light on the behaviour and limitations of these models. For instance, when provided with two passages containing contradictory facts, all models struggle to generate answers that accurately reflect the conflicting nature of the context, especially for implicit conflicts requiring reasoning. Since human evaluation is costly, wealso introduce an automated model that estimates LLM performance using a strong open-source language model, achieving an F-score of 0.8. Using this automated metric, we evaluate more than 1,500 answers from seven LLMs across all WikiContradict instances.
Elliptical Attention
Authors: Laziz U. Abdullaev, Rachel S.Y. Teo, Tan M. Nguyen Stefan K. Nielsen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Pairwise dot-product self-attention is key to the success of transformers that achieve state-of-the-art performance across a variety of applications in language and vision. This dot-product self-attention computes attention weights among the input tokens using Euclidean distance, which makes the model prone to representation collapse and vulnerable to contaminated samples. In this paper, we propose using a Mahalanobis distance metric for computing the attention weights to stretch the underlying feature space in directions of high contextual relevance. In particular, we define a hyper-ellipsoidal neighborhood around each query to increase the attention weights of the tokens lying in the contextually important directions. We term this novel class of attention Elliptical Attention. Our Elliptical Attention provides two benefits: 1) reducing representation collapse and 2) enhancing the model's robustness as the Elliptical Attention pays more attention to contextually relevant information, rather than focusing on some small subset of informative features. We empirically demonstrate the advantages of Elliptical Attention over the baseline dot-product attention and state-of-the-art attention methods on various practical tasks, including object classification, imagesegmentation, and language modeling across different data modalities.
Evaluation of Text-to-Video Generation Models: A Dynamics Perspective
Authors: Hannan Lu, Xinyu Zhang, Fang Wan, Tianyu Wang, Yuzhong Zhao, Wangmeng Zuo, Qixiang Ye, Jingdong Wang Mingxiang Liao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Comprehensive and constructive evaluation protocols play an important role when developing sophisticated text-to-video (T2V) generation models. Existing evaluation protocols primarily focus on temporal consistency and content continuity, yet largely ignore dynamics of video content. Such dynamics is an essential dimension measuring the visual vividness and the honesty of video content to text prompts. In this study, we propose an effective evaluation protocol, termed DEVIL, which centers on the dynamics dimension to evaluate T2V generation models, as well as improving existing evaluation metrics. In practice, we define a set of dynamics scores corresponding to multiple temporal granularities, and a new benchmark of text prompts under multiple dynamics grades. Upon the text prompt benchmark, we assess the generation capacity of T2V models, characterized by metrics of dynamics ranges and T2V alignment. Moreover, we analyze the relevance of existing metrics to dynamics metrics, improving them from the perspective of dynamics. Experiments show that DEVIL evaluation metrics enjoy up to about 90\% consistency with human ratings, demonstrating the potential to advance T2V generation models.
Nonconvex Federated Learning on Compact Smooth Submanifolds With Heterogeneous Data
Authors: Jiang Hu, Anthony Man-Cho So, Mikael Johansson Jiaojiao Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Many machine learning tasks, such as principal component analysis and low-rank matrix completion, give rise to manifold optimization problems. Although there is a large body of work studying the design and analysis of algorithms for manifold optimization in the centralized setting, there are currently very few works addressing the federated setting. In this paper, we consider nonconvex federated learningover a compact smooth submanifold in the setting of heterogeneous client data. We propose an algorithm that leverages stochastic Riemannian gradients and a manifold projection operator to improve computational efficiency, uses local updates to improve communication efficiency, and avoids client drift. Theoretically, we show that our proposed algorithm converges sub-linearly to a neighborhood of a first-order optimal solution by using a novel analysis that jointly exploits the manifold structure and properties of the loss functions. Numerical experiments demonstrate that our algorithm has significantly smaller computational and communication overhead than existing methods.
Estimating Epistemic and Aleatoric Uncertainty with a Single Model
Authors: Maria J. Molina, Christopher A. Metzler Matthew A. Chan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning to high-stakes applications such as medical imaging and weather forecasting. Conditional diffusion models' breakthrough ability to accurately and efficiently sample from the posterior distribution of a dataset now makes uncertainty estimation conceptually straightforward: One need only train and sample from a large ensemble of diffusion models. Unfortunately, training such an ensemble becomes computationally intractable as the complexity of the model architecture grows. In this work we introduce a new approach to ensembling, hyper-diffusion models (HyperDM), which allows one to accurately estimate both epistemic and aleatoric uncertainty with a single model. Unlike existing single-model uncertainty methods like Monte-Carlo dropout and Bayesian neural networks, HyperDM offers prediction accuracy on par with, and in some cases superior to, multi-model ensembles. Furthermore, our proposed approach scales to modern network architectures such as Attention U-Net and yields more accurate uncertainty estimates compared to existing methods. We validate our method on two distinct real-world tasks: x-ray computed tomography reconstruction and weather temperature forecasting.
LuSh-NeRF: Lighting up and Sharpening NeRFs for Low-light Scenes
Authors: Ke Xu, Gerhard Petrus Hancke, Rynson W.H. Lau Zefan Qu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Neural Radiance Fields (NeRFs) have shown remarkable performances in producing novel-view images from high-quality scene images. However, hand-held low-light photography challenges NeRFs as the captured images may simultaneously suffer from low visibility, noise, and camera shakes.While existing NeRF methods may handle either low light or motion, directly combining them or incorporating additional image-based enhancement methods does not work as these degradation factors are highly coupled.We observe that noise in low-light images is always sharp regardless of camera shakes, which implies an implicit order of these degradation factors within the image formation process.This inspires us to explore such an order to decouple and remove these degradation factors while training the NeRF.To this end, we propose in this paper a novel model, named LuSh-NeRF, which can reconstruct a clean and sharp NeRF from a group of hand-held low-light images.The key idea of LuSh-NeRF is to sequentially model noise and blur in the images via multi-view feature consistency and frequency information of NeRF, respectively.Specifically, LuSh-NeRF includes a novel Scene-Noise Decomposition (SND) module for decoupling the noise from the scene representation and a novel Camera Trajectory Prediction (CTP) module for the estimation of camera motions based on low-frequency scene information.To facilitate training and evaluations, we construct a new dataset containing both synthetic and real images.Experiments show that LuSh-NeRF outperforms existing approaches. Our code and dataset can be found here: https://github.com/quzefan/LuSh-NeRF.
IQA-EVAL: Automatic Evaluation of Human-Model Interactive Question Answering
Authors: Ruochen Li, Barry Wang, Xinya Du Ruosen Li
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: To evaluate Large Language Models (LLMs) for question answering (QA), traditional methods typically focus on directly assessing the immediate responses generated by the models based on the given question and context. In the common use case of humans seeking AI assistant’s help in finding information, these non-interactive evaluations do not account for the dynamic nature of human-model conversations, and interaction-aware evaluations have shown that accurate models are not necessarily preferred by humans Lee et al. Recent works in human-computer interaction (HCI) have employed human evaluators to conduct interactions and evaluations, but they are often prohibitively expensive and time-consuming to scale. In this work, we introduce an automated evaluation framework IQA-EVAL to Interactive Question Answering Evaluations, more specifically, we introduce LLM-based Evaluation Agent (LEA) that can: (1) simulate human behaviors to generate interactions with IQA models; (2) automatically evaluate the generated interactions. Moreover, we propose assigning personas to LEAs to better simulate groups of real human evaluators. We show that: (1) our evaluation framework with GPT-4 (or Claude) as the backbone model achieves a high correlation with human evaluations on the IQA task; (2) assigning personas to LEA to better represent the crowd further significantly improves correlations. Finally, we use our automated metric to evaluate five recent LLMs with over 1000 questions from complex and ambiguous question answering tasks, which would cost $5k if evaluated by humans.
VideoLLM-MoD: Efficient Video-Language Streaming with Mixture-of-Depths Vision Computation
Authors: Joya Chen, Kevin Qinghong Lin, Qimeng Wang, Yan Gao, Qianli Xu, Tong Xu, Yao Hu, Enhong Chen, Mike Zheng Shou Shiwei Wu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A well-known dilemma in large vision-language models (e.g., GPT-4, LLaVA) is that while increasing the number of vision tokens generally enhances visual understanding, it also significantly raises memory and computational costs, especially in long-term, dense video frame streaming scenarios. Although learnable approaches like Q-Former and Perceiver Resampler have been developed to reduce the vision token burden, they overlook the context causally modeled by LLMs (i.e., key-value cache), potentially leading to missed visual cues when addressing user queries. In this paper, we introduce a novel approach to reduce vision compute by leveraging redundant vision tokens ``skipping layers'' rather than decreasing the number of vision tokens. Our method, VideoLLM-MoD, is inspired by mixture-of-depths LLMs and addresses the challenge of numerous vision tokens in long-term or streaming video. Specifically, for certain transformer layer, we learn to skip the computation for a high proportion (e.g., 80\%) of vision tokens, passing them directly to the next layer. This approach significantly enhances model efficiency, achieving approximately 42% time and 30% memory savings for the entire training. Moreover, our method reduces the computation in the context and avoid decreasing the vision tokens, thus preserving or even improving performance compared to the vanilla model. We conduct extensive experiments to demonstrate the effectiveness of VideoLLM-MoD, showing its state-of-the-art results on multiple benchmarks, including narration, forecasting, and summarization tasks in COIN, Ego4D, and Ego-Exo4D datasets. The code and checkpoints will be made available at github.com/showlab/VideoLLM-online.
Finding good policies in average-reward Markov Decision Processes without prior knowledge
Authors: Rémy Degenne, Emilie Kaufmann Adrienne Tuynman
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We revisit the identification of an $\varepsilon$-optimal policy in average-reward Markov Decision Processes (MDP). In such MDPs, two measures of complexity have appeared in the literature: the diameter, $D$, and the optimal bias span, $H$, which satisfy $H\leq D$.  Prior work have studied the complexity of $\varepsilon$-optimal policy identification only when a generative model is available. In this case, it is known that there exists an MDP with $D \simeq H$ for which the sample complexity to output an $\varepsilon$-optimal policy is $\Omega(SAD/\varepsilon^2)$ where $S$ and $A$ are the sizes of the state and action spaces. Recently, an algorithm with a sample complexity of order $SAH/\varepsilon^2$ has been proposed, but it requires the knowledge of $H$. We first show that the sample complexity required to estimate $H$ is not bounded by any function of $S,A$ and $H$, ruling out the possibility to easily make the previous algorithm agnostic to $H$. By relying instead on a diameter estimation procedure, we propose the first algorithm for $(\varepsilon,\delta)$-PAC policy identification that does not need any form of prior knowledge on the MDP. Its sample complexity scales in $SAD/\varepsilon^2$ in the regime of small $\varepsilon$, which is near-optimal. In the online setting, our first contribution is a lower bound which implies that a sample complexity polynomial in $H$ cannot be achieved in this setting. Then, we propose an online algorithm with a sample complexity in $SAD^2/\varepsilon^2$, as well as a novel approach based on a data-dependent stopping rule that we believe is promising to further reduce this bound.
Con4m: Context-aware Consistency Learning Framework for Segmented Time Series Classification
Authors: Tianyu Cao, Jing Xu, Jiahe Li, Zhilong Chen, Tao Xiao, Yang Yang Junru Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Time Series Classification (TSC) encompasses two settings: classifying entire sequences or classifying segmented subsequences. The raw time series for segmented TSC usually contain Multiple classes with Varying Duration of each class (MVD). Therefore, the characteristics of MVD pose unique challenges for segmented TSC, yet have been largely overlooked by existing works. Specifically, there exists a natural temporal dependency between consecutive instances (segments) to be classified within MVD. However, mainstream TSC models rely on the assumption of independent and identically distributed (i.i.d.), focusing on independently modeling each segment. Additionally, annotators with varying expertise may provide inconsistent boundary labels, leading to unstable performance of noise-free TSC models. To address these challenges, we first formally demonstrate that valuable contextual information enhances the discriminative power of classification instances. Leveraging the contextual priors of MVD at both the data and label levels, we propose a novel consistency learning framework Con4m, which effectively utilizes contextual information more conducive to discriminating consecutive segments in segmented TSC tasks, while harmonizing inconsistent boundary labels for training. Extensive experiments across multiple datasets validate the effectiveness of Con4m in handling segmented TSC tasks on MVD. The source code is available at https://github.com/MrNobodyCali/Con4m.
MassSpecGym: A benchmark for the discovery and identification of molecules
Authors: Anton Bushuiev, Niek F. de Jonge, Adamo Young, Fleming Kretschmer, Raman Samusevich, Janne Heirman, Fei Wang, Luke Zhang, Kai Dührkop, Marcus Ludwig, Nils A. Haupt, Apurva Kalia, Corinna Brungs, Robin Schmid, Russell Greiner, Bo Wang, David S. Wishart, Li-Ping Liu, Juho Rousu, Wout Bittremieux, Hannes Rost, Tytus D. Mak, Soha Hassoun, Florian Huber, Justin J.J. van der Hooft, Michael A. Stravs, Sebastian Böcker, Josef Sivic, Tomáš Pluskal Roman Bushuiev
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: The discovery and identification of molecules in biological and environmental samples is crucial for advancing biomedical and chemical sciences. Tandem mass spectrometry (MS/MS) is the leading technique for high-throughput elucidation of molecular structures. However, decoding a molecular structure from its mass spectrum is exceptionally challenging, even when performed by human experts. As a result, the vast majority of acquired MS/MS spectra remain uninterpreted, thereby limiting our understanding of the underlying (bio)chemical processes. Despite decades of progress in machine learning applications for predicting molecular structures from MS/MS spectra, the development of new methods is severely hindered by the lack of standard datasets and evaluation protocols. To address this problem, we propose MassSpecGym -- the first comprehensive benchmark for the discovery and identification of molecules from MS/MS data. Our benchmark comprises the largest publicly available collection of high-quality MS/MS spectra and defines three MS/MS annotation challenges: \textit{de novo} molecular structure generation, molecule retrieval, and spectrum simulation. It includes new evaluation metrics and a generalization-demanding data split, therefore standardizing the MS/MS annotation tasks and rendering the problem accessible to the broad machine learning community. MassSpecGym is publicly available at \url{https://github.com/pluskal-lab/MassSpecGym}.
Diffusion Spectral Representation for Reinforcement Learning
Authors: Chen-Xiao Gao, Yitong Li, Chenjun Xiao, Bo Dai Dmitry Shribak
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion-based models have achieved notable empirical successes in reinforcement learning (RL) due to their expressiveness in modeling complex distributions. Despite existing methods being promising, the key challenge of extending existing methods for broader real-world applications lies in the computational cost at inference time, i.e., sampling from a diffusion model is considerably slow as it often requires tens to hundreds of iterations to generate even one sample. To circumvent this issue, we propose to leverage the flexibility of diffusion models for RL from a representation learning perspective. In particular, by exploiting the connection between diffusion models and energy-based models, we develop Diffusion Spectral Representation (Diff-SR), a coherent algorithm framework that enables extracting sufficient representations for value functions in Markov decision processes (MDP) and partially observable Markov decision processes (POMDP). We further demonstrate how Diff-SR facilitates efficient policy optimization and practical algorithms while explicitly bypassing the difficulty and inference cost of sampling from the diffusion model. Finally, we provide comprehensive empirical studies to verify the benefits of Diff-SR in delivering robust and advantageous performance across various benchmarks with both fully and partially observable settings.
Plant-and-Steal: Truthful Fair Allocations via Predictions
Authors: Alon Eden, Talya Eden, Arsen Vasilyan Ilan Reuven Cohen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study truthful mechanisms for approximating the Maximin-Share (MMS) allocation of agents with additive valuations for indivisible goods. Algorithmically, constant factor approximations exist for the problem for any number of agents. When adding incentives to the mix, a jarring result by Amanatidis, Birmpas, Christodoulou, and  Markakis [EC 2017] shows that the best possible approximation for two agents and $m$ items is $\lfloor \frac{m}{2} \rfloor$. We adopt a learning-augmented framework to investigate what is possible when some prediction on the input is given. For two agents, we give a truthful mechanism that takes agents' ordering over items as prediction. When the prediction is accurate, we give a $2$-approximation to the MMS  (consistency), and when the prediction is off, we still get an $\lceil \frac{m}{2} \rceil$-approximation to the MMS (robustness). We further show that the mechanism's performance degrades gracefully in the number of ``mistakes" in the prediction; i.e., we interpolate (up to constant factors) between the two extremes: when there are no mistakes, and when there is a maximum number of mistakes. We also show an impossibility result on the obtainable consistency for mechanisms with finite robustness. For the general case of $n\ge 2$ agents, we give a 2-approximation mechanism for accurate predictions, with relaxed fallback guarantees. Finally, we give experimental results which illustrate when different components of  our framework, made to insure consistency and robustness, come into play.
Robust Graph Neural Networks via Unbiased Aggregation
Authors: Ruiqi Feng, Tyler Derr, Xiaorui Liu Zhichao Hou
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The adversarial robustness of Graph Neural Networks (GNNs) has been questioned due to the false sense of security uncovered by strong adaptive attacks despite the existence of numerous defenses.In this work, we delve into the robustness analysis of representative robust GNNs and provide a unified robust estimation point of view tounderstand their robustness and limitations.Our novel analysis of estimation bias motivates the design of a robust and unbiased graph signal estimator. We then develop an efficient Quasi-Newton Iterative Reweighted Least Squares algorithm to solve the estimation problem, which is unfolded as robust unbiased aggregation layers in GNNs with theoretical guarantees.Our comprehensive experiments confirm the strong robustness of our proposed model under various scenarios, and the ablation study provides a deep understanding of its advantages.
Bias and Volatility: A Statistical Framework for Evaluating Large Language Model's Stereotypes and the Associated Generation Inconsistency
Authors: Ke Yang, Zehan Qi, Xiao Liu, Yang Yu, ChengXiang Zhai Yiran Liu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: We present a novel statistical framework for analyzing stereotypes in large language models (LLMs) by systematically estimating the bias and variation in their generation. Current evaluation metrics in the alignment literature often overlook the randomness of stereotypes caused by the inconsistent generative behavior of LLMs. For example, this inconsistency can result in LLMs displaying contradictory stereotypes, including those related to gender or race, for identical professions across varied contexts. Neglecting such inconsistency could lead to misleading conclusions in alignment evaluations and hinder the accurate assessment of the risk of LLM applications perpetuating or amplifying social stereotypes and unfairness.This work proposes a Bias-Volatility Framework (BVF) that estimates the probability distribution function of LLM stereotypes. Specifically, since the stereotype distribution fully captures an LLM's generation variation, BVF enables the assessment of both the likelihood and extent to which its outputs are against vulnerable groups, thereby allowing for the quantification of the LLM's aggregated discrimination risk. Furthermore, we introduce a mathematical framework to decompose an LLM’s aggregated discrimination risk into two components: bias risk and volatility risk, originating from the mean and variation of LLM’s stereotype distribution, respectively. We apply BVF to assess 12 commonly adopted LLMs and compare their risk levels. Our findings reveal that:  i) Bias risk is the primary cause of discrimination risk in LLMs; ii) Most LLMs exhibit significant pro-male stereotypes for nearly all careers; iii) Alignment with reinforcement learning from human feedback lowers discrimination by reducing bias, but increases volatility; iv) Discrimination risk in LLMs correlates with key sociol-economic factors like professional salaries. Finally, we emphasize that BVF can also be used to assess other dimensions of generation inconsistency's impact on LLM behavior beyond stereotypes, such as knowledge mastery.
Semantics and Spatiality of Emergent Communication
Authors: Boaz Carmeli, Orr Paradise, Yonatan Belinkov Rotem Ben Zion
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: When artificial agents are jointly trained to perform collaborative tasks using a communication channel, they develop opaque goal-oriented communication protocols. Good task performance is often considered sufficient evidence that meaningful communication is taking place, but existing empirical results show that communication strategies induced by common objectives can be counterintuitive whilst solving the task nearly perfectly. In this work, we identify a goal-agnostic prerequisite to meaningful communication, which we term semantic consistency, based on the idea that messages should have similar meanings across instances. We provide a formal definition for this idea, and use it to compare the two most common objectives in the field of emergent communication: discrimination and reconstruction. We prove, under mild assumptions, that semantically inconsistent communication protocols can be optimal solutions to the discrimination task, but not to reconstruction. We further show that the reconstruction objective encourages a stricter property, spatial meaningfulness, which also accounts for the distance between messages. Experiments with emergent communication games validate our theoretical results. These findings demonstrate an inherent advantage of distance-based communication goals, and contextualize previous empirical discoveries.
3D Structure Prediction of Atomic Systems with Flow-based Direct Preference Optimization
Authors: Xiangzhe Kong, Wenbing Huang, Yang Liu Rui Jiao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Predicting high-fidelity 3D structures of atomic systems is a fundamental yet challenging problem in scientific domains. While recent work demonstrates the advantage of generative models in this realm, the exploration of different probability paths are still insufficient, and hallucinations during sampling are persistently occurring. To address these pitfalls, we introduce FlowDPO, a novel framework that explores various probability paths with flow matching models and further suppresses hallucinations using Direct Preference Optimization (DPO) for structure generation. Our approach begins with a pre-trained flow matching model to generate multiple candidate structures for each training sample. These structures are then evaluated and ranked based on their distance to the ground truth, resulting in an automatic preference dataset. Using this dataset, we apply DPO to optimize the original model, improving its performance in generating structures closely aligned with the desired reference distribution. As confirmed by our theoretical analysis, such paradigm and objective function are compatible with arbitrary Gaussian paths, exhibiting favorable universality. Extensive experimental results on antibodies and crystals demonstrate substantial benefits of our FlowDPO, highlighting its potential to advance the field of 3D structure prediction with generative models.