mtybilly/Instruct2DS huggingface dataset:
JailbreakBench: An Open Robustness Benchmark for Jailbreaking Large Language Models
Authors: Edoardo Debenedetti, Alexander Robey, Maksym Andriushchenko, Francesco Croce, Vikash Sehwag, Edgar Dobriban, Nicolas Flammarion, George J. Pappas, Florian Tramèr, Hamed Hassani, Eric Wong Patrick Chao
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Jailbreak attacks cause large language models (LLMs) to generate harmful, unethical, or otherwise objectionable content. Evaluating these attacks presents a number of challenges, which the current collection of benchmarks and evaluation techniques do not adequately address. First, there is no clear standard of practice regarding jailbreaking evaluation. Second, existing works compute costs and success rates in incomparable ways. And third, numerous works are not reproducible, as they withhold adversarial prompts, involve closed-source code, or rely on evolving proprietary APIs. To address these challenges, we introduce JailbreakBench, an open-sourced benchmark with the following components: (1) an evolving repository of state-of-the-art adversarial prompts, which we refer to as jailbreak artifacts; (2) a jailbreaking dataset comprising 100 behaviors---both original and sourced from prior work---which align with OpenAI's usage policies; (3) a standardized evaluation framework at https://github.com/JailbreakBench/jailbreakbench that includes a clearly defined threat model, system prompts, chat templates, and scoring functions; and (4) a leaderboard at https://jailbreakbench.github.io/ that tracks the performance of attacks and defenses for various LLMs. We have carefully considered the potential ethical implications of releasing this benchmark, and believe that it will be a net positive for the community.
Distributionally Robust Performative Prediction
Authors: Yuekai Sun Songkai Xue
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Performative prediction aims to model scenarios where predictive outcomes subsequently influence the very systems they target. The pursuit of a performative optimum (PO)—minimizing performative risk—is generally reliant on modeling of the distribution map, which characterizes how a deployed ML model alters the data distribution. Unfortunately, inevitable misspecification of the distribution map can lead to a poor approximation of the true PO. To address this issue, we introduce a novel framework of distributionally robust performative prediction and study a new solution concept termed as distributionally robust performative optimum (DRPO). We show provable guarantees for DRPO as a robust approximation to the true PO when the nominal distribution map is different from the actual one. Moreover, distributionally robust performative prediction can be reformulated as an augmented performative prediction problem, enabling efficient optimization. The experimental results demonstrate that DRPO offers potential advantages over traditional PO approach when the distribution map is misspecified at either micro- or macro-level.
Abrupt Learning in Transformers: A Case Study on Matrix Completion
Authors: Ekdeep Singh Lubana, Wei Hu Pulkit Gopalani
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recent analysis on the training dynamics of Transformers has unveiled an interesting characteristic: the training loss plateaus for a significant number of training steps, and then suddenly (and sharply) drops to near--optimal values. To understand this phenomenon in depth, we formulate the low-rank matrix completion problem as a masked language modeling (MLM) task, and show that it is possible to train a BERT model to solve this task to low error. Furthermore, the loss curve shows a plateau early in training followed by a sudden drop to near-optimal values, despite no changes in the training procedure or hyper-parameters. To gain interpretability insights into this sudden drop, we examine the model's predictions, attention heads, and hidden states before and after this transition. Concretely, we observe that (a) the model transitions from simply copying the masked input to accurately predicting the masked entries; (b) the attention heads transition to interpretable patterns relevant to the task; and (c) the embeddings and hidden states encode information relevant to the problem. We also analyze the training dynamics of individual model components to understand the sudden drop in loss.
Pre-Trained Multi-Goal Transformers with Prompt Optimization for Efficient Online Adaptation
Authors: Yuhui Fu, Feiyang Xie, Zongqing Lu Haoqi Yuan
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Efficiently solving unseen tasks remains a challenge in reinforcement learning (RL), especially for long-horizon tasks composed of multiple subtasks. Pre-training policies from task-agnostic datasets has emerged as a promising approach, yet existing methods still necessitate substantial interactions via RL to learn new tasks.We introduce MGPO, a method that leverages the power of Transformer-based policies to model sequences of goals, enabling efficient online adaptation through prompt optimization.In its pre-training phase, MGPO utilizes hindsight multi-goal relabeling and behavior cloning. This combination equips the policy to model diverse long-horizon behaviors that align with varying goal sequences.During online adaptation, the goal sequence, conceptualized as a prompt, is optimized to improve task performance. We adopt a multi-armed bandit framework for this process, enhancing prompt selection based on the returns from online trajectories.Our experiments across various environments demonstrate that MGPO holds substantial advantages in sample efficiency, online adaptation performance, robustness, and interpretability compared with existing methods.
FilterNet: Harnessing Frequency Filters for Time Series Forecasting
Authors: Jingru Fei, Qi Zhang, Hui He, Shufeng Hao, Defu Lian, Wei Fan Kun Yi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Given the ubiquitous presence of time series data across various domains, precise forecasting of time series holds significant importance and finds widespread real-world applications such as energy, weather, healthcare, etc. While numerous forecasters have been proposed using different network architectures, the Transformer-based models have state-of-the-art performance in time series forecasting. However, forecasters based on Transformers are still suffering from vulnerability to high-frequency signals, efficiency in computation, and bottleneck in full-spectrum utilization, which essentially are the cornerstones for accurately predicting time series with thousands of points. In this paper, we explore a novel perspective of enlightening signal processing for deep time series forecasting. Inspired by the filtering process, we introduce one simple yet effective network, namely FilterNet, built upon our proposed learnable frequency filters to extract key informative temporal patterns by selectively passing or attenuating certain components of time series signals. Concretely, we propose two kinds of learnable filters in the FilterNet: (i) Plain shaping filter, that adopts a universal frequency kernel for signal filtering and temporal modeling; (ii) Contextual shaping filter, that utilizes filtered frequencies examined in terms of its compatibility with input signals fordependency learning. Equipped with the two filters, FilterNet can approximately surrogate the linear and attention mappings widely adopted in time series literature, while enjoying superb abilities in handling high-frequency noises and utilizing the whole frequency spectrum that is beneficial for forecasting. Finally, we conduct extensive experiments on eight time series forecasting benchmarks, and experimental results have demonstrated our superior performance in terms of both effectiveness and efficiency compared with state-of-the-art methods. Our code is available at$^1$.
Not All Diffusion Model Activations Have Been Evaluated as Discriminative Features
Authors: Qianqian Xu, Zitai Wang, Xiaochun Cao, Qingming Huang Benyuan Meng
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Diffusion models are initially designed for image generation. Recent research shows that the internal signals within their backbones, named activations, can also serve as dense features for various discriminative tasks such as semantic segmentation. Given numerous activations, selecting a small yet effective subset poses a fundamental problem. To this end, the early study of this field performs a large-scale quantitative comparison of the discriminative ability of the activations. However, we find that many potential activations have not been evaluated, such as the queries and keys used to compute attention scores. Moreover, recent advancements in diffusion architectures bring many new activations, such as those within embedded ViT modules. Both combined, activation selection remains unresolved but overlooked. To tackle this issue, this paper takes a further step with a much broader range of activations evaluated. Considering the significant increase in activations, a full-scale quantitative comparison is no longer operational. Instead, we seek to understand the properties of these activations, such that the activations that are clearly inferior can be filtered out in advance via simple qualitative evaluation. After careful analysis, we discover three properties universal among diffusion models, enabling this study to go beyond specific models. On top of this, we present effective feature selection solutions for several popular diffusion models. Finally, the experiments across multiple discriminative tasks validate the superiority of our method over the SOTA competitors. Our code is available at https://github.com/Darkbblue/generic-diffusion-feature.
Estimating Ego-Body Pose from Doubly Sparse Egocentric Video Data
Authors: Pin-Hao Huang, Enna Sachdeva, Hengbo Ma, Karthik Ramani, Kwonjoon Lee Seunggeun Chi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: We study the problem of estimating the body movements of a camera wearer from egocentric videos. Current methods for ego-body pose estimation rely on temporally dense sensor data, such as IMU measurements from spatially sparse body parts like the head and hands. However, we propose that even temporally sparse observations, such as hand poses captured intermittently from egocentric videos during natural or periodic hand movements, can effectively constrain overall body motion. Naively applying diffusion models to generate full-body pose from head pose and sparse hand pose leads to suboptimal results. To overcome this, we develop a two-stage approach that decomposes the problem into temporal completion and spatial completion. First, our method employs masked autoencoders to impute hand trajectories by leveraging the spatiotemporal correlations between the head pose sequence and intermittent hand poses, providing uncertainty estimates. Subsequently, we employ conditional diffusion models to generate plausible full-body motions based on these temporally dense trajectories of the head and hands, guided by the uncertainty estimates from the imputation. The effectiveness of our methods was rigorously tested and validated through comprehensive experiments conducted on various HMD setup with AMASS and Ego-Exo4D datasets. Project page: https://sgchi.github.io/dsposer
DECRL: A Deep Evolutionary Clustering Jointed Temporal Knowledge Graph Representation Learning Approach
Authors: Ling Chen Qian Chen
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Temporal Knowledge Graph (TKG) representation learning aims to map temporal evolving entities and relations to embedded representations in a continuous low-dimensional vector space. However, existing approaches cannot capture the temporal evolution of high-order correlations in TKGs. To this end, we propose a Deep Evolutionary Clustering jointed temporal knowledge graph Representation Learning approach (DECRL). Specifically, a deep evolutionary clustering module is proposed to capture the temporal evolution of high-order correlations among entities. Furthermore, a cluster-aware unsupervised alignment mechanism is introduced to ensure the precise one-to-one alignment of soft overlapping clusters across timestamps, thereby maintaining the temporal smoothness of clusters. In addition, an implicit correlation encoder is introduced to capture latent correlations between any pair of clusters under the guidance of a global graph. Extensive experiments on seven real-world datasets demonstrate that DECRL achieves the state-of-the-art performances, outperforming the best baseline by an average of 9.53\%, 12.98\%, 10.42\%, and 14.68\% in MRR, Hits@1, Hits@3, and Hits@10, respectively.
Single Image Reflection Separation via Dual-Stream Interactive Transformers
Authors: Hainuo Wang, Xiaojie Guo Qiming Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Despite satisfactory results on ``easy'' cases of single image reflection separation, prior dual-stream methods still suffer from considerable performance degradation when facing complex ones, i.e, the transmission layer is densely entangled with the reflection having a wide distribution of spatial intensity. The main reasons come from the lack of concern on the feature correlation during interaction, and the limited receptive field. To remedy these deficiencies, this paper presents a Dual-Stream Interactive Transformer (DSIT) design. Specifically, we devise a dual-attention interactive structure that embraces a dual-stream self-attention and a layer-aware dual-stream cross-attention mechanism to simultaneously capture intra-layer and inter-layer feature correlations. Meanwhile, the introduction of attention mechanisms can also mitigate the receptive field limitation. We modulate single-stream pre-trained Transformer embeddings with dual-stream convolutional features through cross-architecture interactions to provide richer semantic priors, thereby further relieving the ill-posedness of the problem. Extensive experimental results reveal the merits of the proposed DSIT over other state-of-the-art alternatives. Our code is publicly available at https://github.com/mingcv/DSIT.
Recursive Introspection: Teaching Language Model Agents How to Self-Improve
Authors: Tianjun Zhang, Naman Garg, Aviral Kumar Yuxiao Qu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: A central piece in enabling intelligent agentic behavior in foundation models is to make them capable of introspecting upon their behavior, reasoning, and correcting their mistakes as more computation or interaction is available. Even the strongest proprietary large language models (LLMs) do not quite exhibit the ability of continually improving their responses sequentially. In this paper, we develop $\textbf{RISE:}$ $\textbf{R}$ecursive $\textbf{I}$ntro$\textbf{S}$p$\textbf{E}$ction, an approach for fine-tuning LLMs to introduce this capability, despite prior work hypothesizing that this capability may not be possible to attain. Our approach prescribes an iterative fine-tuning procedure, which attempts to teach the model how to alter its response after having executed previously unsuccessful attempts to solve a hard test-time problem, with optionally additional environment feedback. RISE poses fine-tuning for a single-turn prompt as solving a multi-turn Markov decision process (MDP), where the initial state is the prompt. Inspired by principles in online imitation and offline reinforcement learning, we propose strategies for multi-turn data collection and training so as to imbue an LLM with the capability to recursively detect and correct its previous mistakes in subsequent iterations. Our experiments show that RISE enables Llama2, Llama3, and Mistral models to improve themselves with more turns on reasoning tasks, outperforming several single-turn strategies given an equal amount of inference-time computation. We also find that RISE scales well, often attaining larger benefits with more capable models, without disrupting one-turn abilities as a result of expressing more complex distributions.
START: A Generalized State Space Model with Saliency-Driven Token-Aware Transformation
Authors: Lei Qi, Yinghuan Shi, Yang Gao Jintao Guo
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Domain Generalization (DG) aims to enable models to generalize to unseen target domains by learning from multiple source domains. Existing DG methods primarily rely on convolutional neural networks (CNNs), which inherently learn texture biases due to their limited receptive fields, making them prone to overfitting source domains. While some works have introduced transformer-based methods (ViTs) for DG to leverage the global receptive field, these methods incur high computational costs due to the quadratic complexity of self-attention. Recently, advanced state space models (SSMs), represented by Mamba, have shown promising results in supervised learning tasks by achieving linear complexity in sequence length during training and fast RNN-like computation during inference. Inspired by this, we investigate the generalization ability of the Mamba model under domain shifts and find that input-dependent matrices within SSMs could accumulate and amplify domain-specific features, thus hindering model generalization. To address this issue, we propose a novel SSM-based architecture with saliency-based token-aware transformation (namely START), which achieves state-of-the-art (SOTA) performances and offers a competitive alternative to CNNs and ViTs. Our START can selectively perturb and suppress domain-specific features in salient tokens within the input-dependent matrices of SSMs, thus effectively reducing the discrepancy between different domains. Extensive experiments on five benchmarks demonstrate that START outperforms existing SOTA DG methods with efficient linear complexity. Our code is available at https://github.com/lingeringlight/START.
When does perceptual alignment benefit vision representations?
Authors: Stephanie Fu, Lukas Muttenthaler, Netanel Tamir, Lucy Chai, Simon Kornblith, Trevor Darrell, Phillip Isola Shobhita Sundaram
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Humans judge perceptual similarity according to diverse visual attributes, including scene layout, subject location, and camera pose. Existing vision models understand a wide range of semantic abstractions but improperly weigh these attributes and thus make inferences misaligned with human perception. While vision representations have previously benefited from human preference alignment in contexts like image generation, the utility of perceptually aligned representations in more general-purpose settings remains unclear. Here, we investigate how aligning vision model representations to human perceptual judgments impacts their usability in standard computer vision tasks. We finetune state-of-the-art models on a dataset of human similarity judgments for synthetic image triplets and evaluate them across diverse computer vision tasks. We find that aligning models to perceptual judgments yields representations that improve upon the original backbones across many downstream tasks, including counting, semantic segmentation, depth estimation, instance retrieval, and retrieval-augmented generation. In addition, we find that performance is widely preserved on other tasks, including specialized out-of-distribution domains such as in medical imaging and 3D environment frames. Our results suggest that injecting an inductive bias about human perceptual knowledge into vision models can make them better representation learners.
Towards Understanding the Working Mechanism of Text-to-Image Diffusion Model
Authors: Aoxue Li, Yi Xin, Zhenguo Li Mingyang Yi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Recently, the strong latent Diffusion Probabilistic Model (DPM) has been applied to high-quality Text-to-Image (T2I) generation (e.g., Stable Diffusion), by injecting the encoded target text prompt into the gradually denoised diffusion image generator. Despite the success of DPM in practice, the mechanism behind it remains to be explored. To fill this blank, we begin by examining the intermediate statuses during the gradual denoising generation process in DPM. The empirical observations indicate, the shape of image is reconstructed after the first few denoising steps, and then the image is filled with details (e.g., texture). The phenomenon is because the low-frequency signal (shape relevant) of the noisy image is not corrupted until the final stage in the forward process (initial stage of generation) of adding noise in DPM. Inspired by the observations, we proceed to explore the influence of each token in the text prompt during the two stages. After a series of experiments of T2I generations conditioned on a set of text prompts. We conclude that in the earlier generation stage, the image is mostly decided by the special token [\texttt{EOS}] in the text prompt, and the information in the text prompt is already conveyed in this stage. After that, the diffusion model completes the details of generated images by information from themselves. Finally, we propose to apply this observation to accelerate the process of T2I generation by properly removing text guidance, which finally accelerates the sampling up to 25\%+.
Inevitable Trade-off between Watermark Strength and Speculative Sampling Efficiency for Language Models
Authors: Heng Huang Zhengmian Hu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Large language models are probabilistic models, and the process of generating content is essentially sampling from the output distribution of the language model. Existing watermarking techniques inject watermarks into the generated content without altering the output quality. On the other hand, existing acceleration techniques, specifically speculative sampling, leverage a draft model to speed up the sampling process while preserving the output distribution. However, there is no known method to simultaneously accelerate the sampling process and inject watermarks into the generated content. In this paper, we investigate this direction and find that the integration of watermarking and acceleration is non-trivial. We prove a no-go theorem, which states that it is impossible to simultaneously maintain the highest watermark strength and the highest sampling efficiency. Furthermore, we propose two methods that maintain either the sampling efficiency or the watermark strength, but not both. Our work provides a rigorous theoretical foundation for understanding the inherent trade-off between watermark strength and sampling efficiency in accelerating the generation of watermarked tokens for large language models. We also conduct numerical experiments to validate our theoretical findings and demonstrate the effectiveness of the proposed methods.
MoTE: Reconciling Generalization with Specialization for Visual-Language to Video Knowledge Transfer
Authors: Zhengpu Wang, Mengxian Hu, Ronghao Dang, Xiao Lin, Xun Zhou, Chengju Liu, Qijun Chen Minghao Zhu
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Transferring visual-language knowledge from large-scale foundation models for video recognition has proved to be effective. To bridge the domain gap, additional parametric modules are added to capture the temporal information. However, zero-shot generalization diminishes with the increase in the number of specialized parameters, making existing works a trade-off between zero-shot and close-set performance. In this paper, we present MoTE, a novel framework that enables generalization and specialization to be balanced in one unified model. Our approach tunes a mixture of temporal experts to learn multiple task views with various degrees of data fitting. To maximally preserve the knowledge of each expert, we propose Weight Merging Regularization, which regularizes the merging process of experts in weight space. Additionally with temporal feature modulation to regularize the contribution of temporal feature during test. We achieve a sound balance between zero-shot and close-set video recognition tasks and obtain state-of-the-art or competitive results on various datasets, including Kinetics-400 \& 600, UCF, and HMDB. Code is available at https://github.com/ZMHH-H/MoTE.
UAV3D: A Large-scale 3D Perception Benchmark for Unmanned Aerial Vehicles
Authors: Rajshekhar Sunderraman, Shihao Ji Hui Ye
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Unmanned Aerial Vehicles (UAVs), equipped with cameras, are employed in numerous applications, including aerial photography, surveillance, and agriculture. In these applications, robust object detection and tracking are essential for the effective deployment of UAVs. However, existing benchmarks for UAV applications are mainly designed for traditional 2D perception tasks, restricting thedevelopment of real-world applications that require a 3D understanding of the environment. Furthermore, despite recent advancements in single-UAV perception, limited views of a single UAV platform significantly constrain its perception capabilities over long distances or in occluded areas. To address these challenges, we introduce UAV3D – a benchmark designed to advance research in both 3D andcollaborative 3D perception tasks with UAVs. UAV3D comprises 1,000 scenes, each of which has 20 frames with fully annotated 3D bounding boxes on vehicles. We provide the benchmark for four 3D perception tasks: single-UAV 3D object detection, single-UAV object tracking, collaborative-UAV 3D object detection, and collaborative-UAV object tracking. Our dataset and code are available athttps://huiyegit.github.io/UAV3D_Benchmark/.
DreamClear: High-Capacity Real-World Image Restoration with Privacy-Safe Dataset Curation
Authors: Xiaoqiang Zhou, Huaibo Huang, Xiaotian Han, Zhengyu Chen, Quanzeng You, Hongxia Yang Yuang Ai
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Image restoration (IR) in real-world scenarios presents significant challenges due to the lack of high-capacity models and comprehensive datasets.To tackle these issues, we present a dual strategy: GenIR, an innovative data curation pipeline, and DreamClear, a cutting-edge Diffusion Transformer (DiT)-based image restoration model.GenIR, our pioneering contribution, is a dual-prompt learning pipeline that overcomes the limitations of existing datasets, which typically comprise only a few thousand images and thus offer limited generalizability for larger models. GenIR streamlines the process into three stages: image-text pair construction, dual-prompt based fine-tuning, and data generation \& filtering. This approach circumvents the laborious data crawling process, ensuring copyright compliance and providing a cost-effective, privacy-safe solution for IR dataset construction. The result is a large-scale dataset of one million high-quality images.Our second contribution, DreamClear, is a DiT-based image restoration model. It utilizes the generative priors of text-to-image (T2I) diffusion models and the robust perceptual capabilities of multi-modal large language models (MLLMs) to achieve photorealistic restoration. To boost the model's adaptability to diverse real-world degradations, we introduce the Mixture of Adaptive Modulator (MoAM). It employs token-wise degradation priors to dynamically integrate various restoration experts, thereby expanding the range of degradations the model can address.Our exhaustive experiments confirm DreamClear's superior performance, underlining the efficacy of our dual strategy for real-world image restoration. Code and pre-trained models are available at: https://github.com/shallowdream204/DreamClear.
Revisiting Differentially Private ReLU Regression
Authors: Mingxi Lei, Liyang Zhu, Shaowei Wang, Di Wang, Jinhui Xu Meng Ding
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: As one of the most fundamental non-convex learning problems, ReLU regression under differential privacy (DP) constraints, especially in high-dimensional settings, remains a challenging area in privacy-preserving machine learning. Existing results are limited to the assumptions of bounded norm $ \|\mathbf{x}\|_2 \leq 1$, which becomes meaningless with increasing data dimensionality. In this work, we revisit the problem of DP ReLU regression in high-dimensional regimes. We propose two innovative algorithms DP-GLMtron and DP-TAGLMtron that outperform the conventional DPSGD. DP-GLMtron is based on a generalized linear model perceptron approach, integrating adaptive clipping and Gaussian mechanism for enhanced privacy. To overcome the constraints of small privacy budgets in DP-GLMtron, represented by $\widetilde{O}(\sqrt{1/N})$ where $N$ is the sample size, we introduce DP-TAGLMtron, which utilizes a tree aggregation protocol to balance privacy and utility effectively, showing that DP-TAGLMtron achieves comparable performance with only an additional factor of $O(\log N)$ in the utility upper bound.Moreover, our theoretical analysis extends beyond Gaussian-like data distributions to settings with eigenvalue decay, showing how data distribution impacts learning in high dimensions. Notably, our findings suggest that the utility upper bound could be independent of the dimension $d$, even when $d \gg N$. Experiments on synthetic and real-world datasets also validate our results.
Empowering Active Learning for 3D Molecular Graphs with Geometric Graph Isomorphism
Authors: Lu Wei, Wenhan Gao, Shayok Chakraborty, Yi Liu Ronast Subedi
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Molecular learning is pivotal in many real-world applications, such as drug discovery. Supervised learning requires heavy human annotation, which is particularly challenging for molecular data, e.g., the commonly used density functional theory (DFT) is highly computationally expensive. Active learning (AL) automatically queries labels for most informative samples, thereby remarkably alleviating the annotation hurdle. In this paper, we present a principled AL paradigm for molecular learning, where we treat molecules as 3D molecular graphs. Specifically, we propose a new diversity sampling method to eliminate mutual redundancy built on distributions of 3D geometries. We first propose a set of new 3D graph isometries for 3D graph isomorphism analysis. Our method is provably at least as expressive as the Geometric Weisfeiler-Lehman (GWL) test. The moments of the distributions of the associated geometries are then extracted for efficient diversity computing. To ensure our AL paradigm selects samples with maximal uncertainties, we carefully design a Bayesian geometric graph neural network to compute uncertainties specifically for 3D molecular graphs. We pose active sampling as a quadratic programming (QP) problem using the proposed components. Experimental results demonstrate the effectiveness of our AL paradigm, as well as the proposed diversity and uncertainty methods.
Dual Lagrangian Learning for Conic Optimization
Authors: Pascal Van Hentenryck Mathieu Tanneau
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper presents Dual Lagrangian Learning (DLL), a principled learning methodology for dual conic optimization proxies.DLL leverages conic duality and the representation power of ML models to provide high-duality, dual-feasible solutions, and therefore valid Lagrangian dual bounds, for linear and nonlinear conic optimization problems.The paper introduces a systematic dual completion procedure, differentiable conic projection layers, and a self-supervised learning framework based on Lagrangian duality.It also provides closed-form dual completion formulae for broad classes of conic problems, which eliminate the need for costly implicit layers.The effectiveness of DLL is demonstrated on linear and nonlinear conic optimization problems.The proposed methodology significantly outperforms a state-of-the-art learning-based method, and achieves 1000x speedups over commercial interior-point solvers with optimality gaps under 0.5\% on average.
Selective Explanations
Authors: Dennis Wei, Flavio P. Calmon Lucas Monteiro Paes
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Feature attribution methods explain black-box machine learning (ML) models by assigning importance scores to input features. These methods can be computationally expensive for large ML models. To address this challenge, there have been increasing efforts to develop amortized explainers, where a ML model is trained to efficiently approximate computationally expensive feature attribution scores. Despite their efficiency, amortized explainers can produce misleading explanations. In this paper, we propose selective explanations to (i) detect when amortized explainers generate inaccurate explanations and (ii) improve the approximation of the explanation using a technique we call explanations with initial guess. Selective explanations allow practitioners to specify the fraction of samples that receive explanations with initial guess, offering a principled way to bridge the gap between amortized explainers (one inference) and more computationally costly approximations (multiple inferences). Our experiments on various models and datasets demonstrate that feature attributions via selective explanations strike a favorable balance between explanation quality and computational efficiency.
Cascade of phase transitions in the training of energy-based models
Authors: Giulio Biroli, Aurélien Decelle, Beatriz Seoane Dimitrios Bachtis
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this paper, we investigate the feature encoding process in a prototypical energy-based generative model, the Restricted Boltzmann Machine (RBM). We start with an analytical investigation using simplified architectures and data structures, and end with numerical analysis of real trainings on real datasets. Our study tracks the evolution of the model’s weight matrix through its singular value decomposition, revealing a series of thermodynamic phase transitions that shape the principal learning modes of the empirical probability distribution. We first describe this process analytically in several controlled setups that allow us to fully monitor the training dynamics until convergence. We then validate these findings by training the Bernoulli-Bernoulli RBM on real data sets. By studying the phase behavior over data sets of increasing dimension, we show that these phase transitions are genuine in the thermodynamic sense. Moreover, we propose a mean-field finite-size scaling hypothesis, confirming that the initial phase transition, reminiscent of the paramagnetic-to-ferromagnetic phase transition in mean-field ferromagnetism models, is governed by mean-field critical exponents.
WAGLE: Strategic Weight Attribution for Effective and Modular Unlearning in Large Language Models
Authors: Jiancheng Liu, Yihua Zhang, Parikshit Ram, Nathalie Baracaldo, Sijia Liu Jinghan Jia
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: The need for effective unlearning mechanisms in large language models (LLMs) is increasingly urgent, driven by the necessity to adhere to data regulations and foster ethical generative AI practices. LLM unlearning is designed to reduce the impact of undesirable data influences and associated model capabilities without diminishing the utility of the model if unrelated to the information being forgotten. Despite growing interest, much of the existing research has focused on varied unlearning method designs to boost effectiveness and efficiency. However, the inherent relationship between model weights and LLM unlearning has not been extensively examined. In this paper, we systematically explore how model weights interact with unlearning processes in LLMs and we design the weight attribution-guided LLM unlearning method, WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. By strategically guiding the LLM unlearning across different types of unlearning methods and tasks, WAGLE can erase the undesired content, while maintaining the performance of the original tasks. We refer to the weight attribution-guided LLM unlearning method as WAGLE, which unveils the interconnections between 'influence' of weights and 'influence' of data to forget and retain in LLM generation. Our extensive experiments show that WAGLE boosts unlearning performance across a range of LLM unlearning methods such as gradient difference and (negative) preference optimization, applications such as fictitious unlearning (TOFU benchmark), malicious use prevention (WMDP benchmark), and copyrighted information removal, and models including Zephyr-7b-beta and Llama2-7b. To the best of our knowledge, our work offers the first principled method for attributing and pinpointing the influential weights in enhancing LLM unlearning. It stands in contrast to previous methods that lack weight attribution and simpler weight attribution techniques.
Shuffling Gradient-Based Methods for Nonconvex-Concave Minimax Optimization
Authors: Trang H. Tran, Lam M. Nguyen Quoc Tran-Dinh
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: This paper aims at developing novel shuffling gradient-based methods for tackling two classes of minimax problems: nonconvex-linear and nonconvex-strongly concave settings. The first algorithm addresses the nonconvex-linear minimax model and achieves the state-of-the-art oracle complexity typically observed in nonconvex optimization.  It also employs a new shuffling estimator for the ``hyper-gradient'', departing from standard shuffling techniques in optimization. The second method consists of two variants: semi-shuffling and full-shuffling schemes.  These variants tackle the nonconvex-strongly concave minimax setting.  We establish their oracle complexity bounds under standard assumptions, which, to our best knowledge, are the best-known for this specific setting. Numerical examples demonstrate the performance of our algorithms and compare them with two other methods.  Our results show that the new methods achieve comparable performance with SGD, supporting the potential of incorporating shuffling strategies into minimax algorithms.
Preferential Normalizing Flows
Authors: Luigi Acerbi, Arto Klami Petrus Mikkola
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Eliciting a high-dimensional probability distribution from an expert via noisy judgments is notoriously challenging, yet useful for many applications, such as prior elicitation and reward modeling. We introduce a method for eliciting the expert's belief density as a normalizing flow based solely on preferential questions such as comparing or ranking alternatives. This allows eliciting in principle arbitrarily flexible densities, but flow estimation is susceptible to the challenge of collapsing or diverging probability mass that makes it difficult in practice. We tackle this problem by introducing a novel functional prior for the flow, motivated by a decision-theoretic argument, and show empirically that the belief density can be inferred as the function-space maximum a posteriori estimate. We demonstrate our method by eliciting multivariate belief densities of simulated experts, including the prior belief of a general-purpose large language model over a real-world dataset.
emg2pose: A Large and Diverse Benchmark for Surface Electromyographic Hand Pose Estimation
Authors: Richard Warren, Collin Schlager, Adrian Spurr, Shangchen Han, Rohin Bhasin, Yujun Cai, Peter Walkington, Anuoluwapo Bolarinwa, Robert Wang, Nathan Danielson, Josh Merel, Eftychios Pnevmatikakis, Jesse Marshall Sasha Salter
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Datasets and Benchmarks Track), 2024

Abstract: Hands are the primary means through which humans interact with the world. Reliable and always-available hand pose inference could yield new and intuitive control schemes for human-computer interactions, particularly in virtual and augmented reality. Computer vision is effective but requires one or multiple cameras and can struggle with occlusions, limited field of view, and poor lighting. Wearable wrist-based surface electromyography (sEMG) presents a promising alternative as an always-available modality sensing muscle activities that drive hand motion. However, sEMG signals are strongly dependent on user anatomy and sensor placement; existing sEMG models have thus required hundreds of users and device placements to effectively generalize for tasks other than pose inference. To facilitate progress on sEMG pose inference, we introduce the emg2pose benchmark, which is to our knowledge the first publicly available dataset of high-quality hand pose labels and wrist sEMG recordings. emg2pose contains 2kHz, 16 channel sEMG and pose labels from a 26-camera motion capture rig for 193 users, 370 hours, and 29 stages with diverse gestures - a scale comparable to vision-based hand pose datasets. We provide competitive baselines and challenging tasks evaluating real-world generalization scenarios: held-out users, sensor placements, and stages. This benchmark provides the machine learning community a platform for exploring complex generalization problems, holding potential to significantly enhance the development of sEMG-based human-computer interactions.
SceneDiffuser: Efficient and Controllable Driving Simulation Initialization and Rollout
Authors: Yijing Bai, Andre Cornman, Christopher Davis, Xiukun Huang, Hong Jeon, Sakshum Kulshrestha, John Lambert, Shuangyu Li, Xuanyu Zhou, Carlos Fuertes, Chang Yuan, Mingxing Tan, Yin Zhou, Dragomir Anguelov Chiyu Max Jiang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Simulation with realistic and interactive agents represents a key task for autonomous vehicle (AV) software development in order to test AV performance in prescribed, often long-tail scenarios. In this work, we propose SceneDiffuser, a scene-level diffusion prior for traffic simulation. We present a singular framework that unifies two key stages of simulation: scene initialization and scene rollout. Scene initialization refers to generating the initial layout for the traffic in a scene, and scene rollout refers to closed-loop simulation for the behaviors of the agents. While diffusion has been demonstrated to be effective in learning realistic, multimodal agent distributions, two open challenges remain: controllability and closed-loop inference efficiency and realism. To this end, to address controllability challenges, we propose generalized hard constraints, a generalized inference-time constraint mechanism that is simple yet effective. To improve closed-loop inference quality and efficiency, we propose amortized diffusion, a novel diffusion denoising paradigm that amortizes the physical cost of denoising over future simulation rollout steps, reducing the cost of per physical rollout step to a single denoising function evaluation, while dramatically reducing closed-loop errors. We demonstrate the effectiveness of our approach on the Waymo Open Dataset, where we are able to generate distributionally realistic scenes, while obtaining competitive performance in the Sim Agents Challenge, surpassing the state-of-the-art in many realism attributes.
GeoLRM: Geometry-Aware Large Reconstruction Model for High-Quality 3D Gaussian Generation
Authors: Hongliang Song, Yi Wei, Yu Chen, Jiwen Lu, Yansong Tang Chubin Zhang
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: In this work, we introduce the Geometry-Aware Large Reconstruction Model (GeoLRM), an approach which can predict high-quality assets with 512k Gaussians and 21 input images in only 11 GB GPU memory. Previous works neglect the inherent sparsity of 3D structure and do not utilize explicit geometric relationships between 3D and 2D images. This limits these methods to a low-resolution representation and makes it difficult to scale up to the dense views for better quality. GeoLRM tackles these issues by incorporating a novel 3D-aware transformer structure that directly processes 3D points and uses deformable cross-attention mechanisms to effectively integrate image features into 3D representations. We implement this solution through a two-stage pipeline: initially, a lightweight proposal network generates a sparse set of 3D anchor points from the posed image inputs; subsequently, a specialized reconstruction transformer refines the geometry and retrieves textural details. Extensive experimental results demonstrate that GeoLRM significantly outperforms existing models, especially for dense view inputs. We also demonstrate the practical applicability of our model with 3D generation tasks, showcasing its versatility and potential for broader adoption in real-world applications. The project page: https://linshan-bin.github.io/GeoLRM/.
CryoSPIN: Improving Ab-Initio Cryo-EM Reconstruction with Semi-Amortized Pose Inference
Authors: David B. Lindell, Marcus A. Brubaker, David J. Fleet Shayan Shekarforoush
Published in: Advances in Neural Information Processing Systems 37  (NeurIPS 2024) (Main Conference Track), 2024

Abstract: Cryo-EM is an increasingly popular method for determining the atomic resolution 3D structure of macromolecular complexes (eg, proteins) from noisy 2D images captured by an electron microscope. The computational task is to reconstruct the 3D density of the particle, along with 3D pose of the particle in each 2D image, for which the posterior pose distribution is highly multi-modal. Recent developments in cryo-EM have focused on deep learning for which amortized inference has been used to predict pose. Here, we address key problems with this approach, and propose a new semi-amortized method, cryoSPIN, in which reconstruction begins with amortized inference and then switches to a form of auto-decoding to refine poses locally using stochastic gradient descent. Through evaluation on synthetic datasets, we demonstrate that cryoSPIN is able to handle multi-modal pose distributions during the amortized inference stage, while the later, more flexible stage of direct pose optimization yields faster and more accurate convergence of poses compared to baselines. On experimental data, we show that cryoSPIN outperforms the state-of-the-art cryoAI in speed and reconstruction quality.