mtybilly/Instruct2DS huggingface dataset:
Attentive Transfer Entropy to Exploit Transient Emergence of Coupling Effect
Authors: XINYA ZHANG, Zijia Liu, Jack Murdoch Moore, Gang Yan Xiaolei Ru
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We consider the problem of reconstructing coupled networks (e.g., biological neural networks) connecting large numbers of variables (e.g.,nerve cells), of which state evolution is governed by dissipative dynamics consisting of strong self-drive (dominants the evolution) and weak coupling-drive. The core difficulty is sparseness of coupling effect that emerges (the coupling force is significant) only momentarily and otherwise remains quiescent in time series (e.g., neuronal activity sequence). Here we learn the idea from attention mechanism to guide the classifier to make inference focusing on the critical regions of time series data where coupling effect may manifest. Specifically, attention coefficients are assigned autonomously by artificial neural networks trained to maximise the Attentive Transfer Entropy (ATEn), which is a novel generalization of the iconic transfer entropy metric. Our results show that, without any prior knowledge of dynamics, ATEn explicitly identifies areas where the strength of coupling-drive is distinctly greater than zero. This innovation substantially improves reconstruction performance for both synthetic and real directed coupling networks using data generated by neuronal models widely used in neuroscience.
PopSign ASL v1.0: An Isolated American Sign Language Dataset Collected via Smartphones
Authors: Sean Forbes, Matthew So, David R. Martin, Rohit Sridhar, Gururaj Deshpande, Sam Sepah, Sahir Shahryar, Khushi Bhardwaj, Tyler Kwok, Daksh Sehgal, Saad Hassan, Bill Neubauer, Sofia Vempala, Alec Tan, Jocelyn Heath, Unnathi Kumar, Priyanka Mosur, Tavenner Hall, Rajandeep Singh, Christopher Cui, Glenn Cameron, Sohier Dane, Garrett Tanzer Thad Starner
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: PopSign is a smartphone-based bubble-shooter game that helps hearing parentsof deaf infants learn sign language. To help parents practice their ability to sign,PopSign is integrating sign language recognition as part of its gameplay. Fortraining the recognizer, we introduce the PopSign ASL v1.0 dataset that collectsexamples of 250 isolated American Sign Language (ASL) signs using Pixel 4Asmartphone selfie cameras in a variety of environments. It is the largest publiclyavailable, isolated sign dataset by number of examples and is the first dataset tofocus on one-handed, smartphone signs. We collected over 210,000 examplesat 1944x2592 resolution made by 47 consenting Deaf adult signers for whomAmerican Sign Language is their primary language. We manually reviewed 217,866of these examples, of which 175,023 (approximately 700 per sign) were the signintended for the educational game. 39,304 examples were recognizable as a signbut were not the desired variant or were a different sign. We provide a training setof 31 signers, a validation set of eight signers, and a test set of eight signers. Abaseline LSTM model for the 250-sign vocabulary achieves 82.1% accuracy (81.9%class-weighted F1 score) on the validation set and 84.2% (83.9% class-weightedF1 score) on the test set. Gameplay suggests that accuracy will be sufficient forcreating educational games involving sign language recognition.
Provable Adversarial Robustness for Group Equivariant Tasks: Graphs, Point Clouds, Molecules, and More
Authors: Yan Scholten, Stephan Günnemann Jan Schuchardt
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: A machine learning model is traditionally considered robust if its prediction remains (almost) constant under input perturbations with small norm. However, real-world tasks like molecular property prediction or point cloud segmentation have inherent equivariances, such as rotation or permutation equivariance. In such tasks, even perturbations with large norm do not necessarily change an input's semantic content. Furthermore, there are perturbations for which a model's prediction explicitly needs to change. For the first time, we propose a sound notion of adversarial robustness that accounts for task equivariance. We then demonstrate that provable robustness can be achieved by (1) choosing a model that matches the task's equivariances (2) certifying traditional adversarial robustness. Certification methods are, however, unavailable for many models, such as those with continuous equivariances. We close this gap by developing the framework of equivariance-preserving randomized smoothing, which enables architecture-agnostic certification. We additionally derive the first architecture-specific graph edit distance certificates, i.e. sound robustness guarantees for isomorphism equivariant tasks like node classification. Overall, a sound notion of robustness is an important prerequisite for future work at the intersection of robust and geometric machine learning.
Self-Supervised Motion Magnification by Backpropagating Through Optical Flow
Authors: Daniel Geng, Andrew Owens Zhaoying Pan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper presents a simple, self-supervised method for magnifying subtle motions in video: given an input video and a magnification factor, we manipulate the video such that its new optical flow is scaled by the desired amount. To train our model, we propose a loss function that estimates the optical flow of the generated video and penalizes how far if deviates from the given magnification factor. Thus, training involves differentiating through a pretrained optical flow network. Since our model is self-supervised, we can further improve its performance through test-time adaptation, by finetuning it on the input video. It can also be easily extended to magnify the motions of only user-selected objects. Our approach avoids the need for synthetic magnification datasets that have been used to train prior learning-based approaches. Instead, it leverages the existing capabilities of off-the-shelf motion estimators. We demonstrate the effectiveness of our method through evaluations of both visual quality and quantitative metrics on a range of real-world and synthetic videos, and we show our method works for both supervised and unsupervised optical flow methods.
TexQ: Zero-shot Network Quantization with Texture Feature Distribution Calibration
Authors: Yizhi Wang, Renao YAN, Yiqing Liu, Tian Guan, Yonghong He Xinrui Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Quantization is an effective way to compress neural networks. By reducing the bit width of the parameters, the processing efficiency of neural network models at edge devices can be notably improved. Most conventional quantization methods utilize real datasets to optimize quantization parameters and fine-tune. Due to the inevitable privacy and security issues of real samples, the existing real-data-driven methods are no longer applicable. Thus, a natural method is to introduce synthetic samples for zero-shot quantization (ZSQ). However, the conventional synthetic samples fail to retain the detailed texture feature distributions, which severely limits the knowledge transfer and performance of the quantized model. In this paper, a novel ZSQ method, TexQ is proposed to address this issue. We first synthesize a calibration image and extract its calibration center for each class with a texture feature energy distribution calibration method. Then, the calibration centers are used to guide the generator to synthesize samples. Finally, we introduce the mixup knowledge distillation module to diversify synthetic samples for fine-tuning. Extensive experiments on CIFAR10/100 and ImageNet show that TexQ is observed to perform state-of-the-art in ultra-low bit width quantization. For example, when ResNet-18 is quantized to 3-bit, TexQ achieves a 12.18% top-1 accuracy increase on ImageNet compared to state-of-the-art methods. Code at https://github.com/dangsingrue/TexQ.
Ambient Diffusion: Learning Clean Distributions from Corrupted Data
Authors: Kulin Shah, Yuval Dagan, Aravind Gollakota, Alex Dimakis, Adam Klivans Giannis Daras
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present the first diffusion-based framework that can learn an unknown distribution using only highly-corrupted samples. This problem arises in scientific applications where access to uncorrupted samples is impossible or expensive to acquire. Another benefit of our approach is the ability to train generative models that are less likely to memorize any individual training sample, since they never observe clean training data. Our main idea is to introduce additional measurement distortion during the diffusion process and require the model to predict the original corrupted image from the further corrupted image.  We prove that our method leads to models that learn the conditional expectation of the full uncorrupted image given this additional measurement corruption.  This holds for any corruption process that satisfies some technical conditions (and in particular includes inpainting and compressed sensing).  We train models on standard benchmarks (CelebA, CIFAR-10 and AFHQ) and show that we can learn the distribution even when all the training samples have 90\% of their pixels missing. We also show that we can finetune foundation models on small corrupted datasets (e.g. MRI scans with block corruptions) and learn the clean distribution without memorizing the training set.
Scalable Membership Inference Attacks via Quantile Regression
Authors: Shuai Tang, Aaron Roth, Michael J. Kearns, Jamie H Morgenstern, Steven Z. Wu Martin Bertran
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Membership inference attacks are designed to determine, using black box access to trained models, whether a particular example was used in training or not. Membership inference can be formalized as a hypothesis testing problem. The most effective existing attacks estimate the distribution of some test statistic (usually the model's confidence on the true label) on points that were (and were not) used in training by training many \emph{shadow models}---i.e. models of the same architecture as the model being attacked, trained on a random subsample of data. While effective, these attacks are extremely computationally expensive, especially when the model under attack is large. \footnotetext[0]{Martin and Shuai are the lead authors, and other authors are ordered alphabetically. {maberlop,shuat}@amazon.com}We introduce a new class of attacks based on performing quantile regression on the distribution of confidence scores induced by the model under attack on points that are not used in training. We show that our method is competitive with state-of-the-art shadow model attacks, while requiring substantially less compute because our attack requires training only a single model. Moreover, unlike shadow model attacks, our proposed attack does not require any knowledge of the architecture of the model under attack and is therefore truly ``black-box". We show the efficacy of this approach in an extensive series of experiments on various datasets and model architectures. Our code is available at \href{https://github.com/amazon-science/quantile-mia}{github.com/amazon-science/quantile-mia.}
ESSEN: Improving Evolution State Estimation for Temporal Networks using Von Neumann Entropy
Authors: Yingyue Zhang, Zhihong Zhang, Edwin R. Hancock Qiyao Huang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Temporal networks are widely used as abstract graph representations for real-world dynamic systems. Indeed, recognizing the network evolution states is crucial in understanding and analyzing temporal networks. For instance, social networks will generate the clustering and formation of tightly-knit groups or communities over time, relying on the triadic closure theory. However, the existing methods often struggle to account for the time-varying nature of these network structures, hindering their performance when applied to networks with complex evolution states. To mitigate this problem, we propose a novel framework called ESSEN, an Evolution StateS awarE Network, to measure temporal network evolution using von Neumann entropy and thermodynamic temperature. The developed framework utilizes a von Neumann entropy aware attention mechanism and network evolution state contrastive learning in the graph encoding. In addition, it employs a unique decoder the so-called Mixture of Thermodynamic Experts (MoTE) for decoding. ESSEN extracts local and global network evolution information using thermodynamic features and adaptively recognizes the network evolution states. Moreover, the proposed method is evaluated on link prediction tasks under both transductive and inductive settings, with the corresponding results demonstrating its effectiveness compared to various state-of-the-art baselines.
Label Correction of Crowdsourced Noisy Annotations with an Instance-Dependent Noise Transition Model
Authors: Boyu Wang, Grace Yi Hui GUO
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The predictive ability of supervised learning algorithms hinges on the quality of annotated examples, whose labels often come from multiple crowdsourced annotators with diverse expertise. To aggregate noisy crowdsourced annotations, many existing methods employ an annotator-specific instance-independent noise transition matrix  to characterize the labeling skills of each annotator. Learning an instance-dependent noise transition model, however, is challenging and remains relatively less explored. To address this problem, in this paper, we formulate the noise transition model in a Bayesian framework and subsequently design a new label correction algorithm. Specifically, we approximate the instance-dependent noise transition matrices using a Bayesian network with a hierarchical spike and slab prior. To theoretically characterize the distance between the noise transition model and the true instance-dependent noise transition matrix, we provide a posterior-concentration theorem that ensures the posterior consistency in terms of the Hellinger distance. We further formulate the label correction process as a hypothesis testing problem and propose a novel algorithm to infer the true label from the noisy annotations based on the pairwise likelihood ratio test. Moreover, we establish an information-theoretic bound on the Bayes error for the proposed method. We validate the effectiveness of our approach through experiments on benchmark and real-world datasets.
Diffused Task-Agnostic Milestone Planner
Authors: Minjae Kang, Songhwai Oh Mineui Hong
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Addressing decision-making problems using sequence modeling to predict future trajectories shows promising results in recent years.In this paper, we take a step further to leverage the sequence predictive method in wider areas such as long-term planning, vision-based control, and multi-task decision-making.To this end, we propose a method to utilize a diffusion-based generative sequence model to plan a series of milestones in a latent space and to have an agent to follow the milestones to accomplish a given task.The proposed method can learn control-relevant, low-dimensional latent representations of milestones, which makes it possible to efficiently perform long-term planning and vision-based control.Furthermore, our approach exploits generation flexibility of the diffusion model, which makes it possible to plan diverse trajectories for multi-task decision-making.We demonstrate the proposed method across offline reinforcement learning (RL) benchmarks and an visual manipulation environment.The results show that our approach outperforms offline RL methods in solving long-horizon, sparse-reward tasks and multi-task problems,while also achieving the state-of-the-art performance on the most challenging vision-based manipulation benchmark.
Task-aware Distributed Source Coding under Dynamic Bandwidth
Authors: Sravan Kumar Ankireddy, Ruihan (Philip) Zhao, Hossein Nourkhiz Mahjoub, Ehsan Moradi Pari, Ufuk Topcu, Sandeep Chinchali, Hyeji Kim Po-han Li
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Efficient compression of correlated data is essential to minimize communication overload in multi-sensor networks. In such networks, each sensor independently compresses the data and transmits them to a central node. A decoder at the central node decompresses and passes the data to a pre-trained machine learning-based task model to generate the final output. Due to limited communication bandwidth, it is important for the compressor to learn only the features that are relevant to the task. Additionally, the final performance depends heavily on the total available bandwidth. In practice, it is common to encounter varying availability in bandwidth. Since higher bandwidth results in better performance, it is essential for the compressor to dynamically take advantage of the maximum available bandwidth at any instant. In this work, we propose a novel distributed compression framework composed of independent encoders and a joint decoder, which we call neural distributed principal component analysis (NDPCA). NDPCA flexibly compresses data from multiple sources to any available bandwidth with a single model, reducing compute and storage overhead. NDPCA achieves this by learning low-rank task representations and efficiently distributing bandwidth among sensors, thus providing a graceful trade-off between performance and bandwidth. Experiments show that NDPCA improves the success rate of multi-view robotic arm manipulation by 9% and the accuracy of object detection tasks on satellite imagery by 14% compared to an autoencoder with uniform bandwidth allocation.
BubbleML: A Multiphase Multiphysics Dataset and Benchmarks for Machine Learning
Authors: Arthur Feeney, Akash Dhruv, Jihoon Kim, Youngjoon Suh, Jaiyoung Ryu, Yoonjin Won, Aparna Chandramowlishwaran Sheikh Md Shakeel Hassan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Datasets and Benchmarks Track), 2023

Abstract: In the field of phase change phenomena, the lack of accessible and diverse datasets suitable for machine learning (ML) training poses a significant challenge. Existing experimental datasets are often restricted, with limited availability and sparse ground truth, impeding our understanding of this complex multiphysics phenomena. To bridge this gap, we present the BubbleML dataset which leverages physics-driven simulations to provide accurate ground truth information for various boiling scenarios, encompassing nucleate pool boiling, flow boiling, and sub-cooled boiling. This extensive dataset covers a wide range of parameters, including varying gravity conditions, flow rates, sub-cooling levels, and wall superheat, comprising 79 simulations.  BubbleML is validated against experimental observations and trends, establishing it as an invaluable resource for ML research. Furthermore, we showcase its potential to facilitate the exploration of diverse downstream tasks by introducing two benchmarks: (a) optical flow analysis to capture bubble dynamics, and (b) neural PDE solvers for learning temperature and flow dynamics. The BubbleML dataset and its benchmarks aim to catalyze progress in ML-driven research on multiphysics phase change phenomena, providing robust baselines for the development and comparison of state-of-the-art techniques and models.
ANTN: Bridging Autoregressive Neural Networks and Tensor Networks for Quantum Many-Body Simulation
Authors: Laker Newhouse, Eddie Chen, Di Luo, Marin Soljacic Zhuo Chen
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Quantum many-body physics simulation has important impacts on understanding fundamental science and has applications to quantum materials design and quantum technology. However, due to the exponentially growing size of the Hilbert space with respect to the particle number, a direct simulation is intractable. While representing quantum states with tensor networks and neural networks are the two state-of-the-art methods for approximate simulations, each has its own limitations in terms of expressivity and inductive bias. To address these challenges, we develop a novel architecture, Autoregressive Neural TensorNet (ANTN), which bridges tensor networks and autoregressive neural networks. We show that Autoregressive Neural TensorNet parameterizes normalized wavefunctions, allows for exact sampling, generalizes the expressivity of tensor networks and autoregressive neural networks, and inherits a variety of symmetries from autoregressive neural networks. We demonstrate our approach on quantum state learning as well as finding the ground state of the challenging 2D $J_1$-$J_2$ Heisenberg model with different systems sizes and coupling parameters, outperforming both tensor networks and autoregressive neural networks. Our work opens up new opportunities for quantum many-body physics simulation, quantum technology design, and generative modeling in artificial intelligence.
Causal Effect Identification in Uncertain Causal Networks
Authors: Fateme Jamshidi, Ehsan Mokhtarian, Matthew Vowels, Jalal Etesami, Negar Kiyavash Sina Akbari
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Causal identification is at the core of the causal inference literature, where complete algorithms have been proposed to identify causal queries of interest. The validity of these algorithms hinges on the restrictive assumption of having access to a correctly specified causal structure. In this work, we study the setting where a probabilistic model of the causal structure is available. Specifically, the edges in a causal graph exist with uncertainties which may, for example, represent degree of belief from domain experts. Alternatively, the uncertainty about an edge may reflect the confidence of a particular statistical test. The question that naturally arises in this setting is: Given such a probabilistic graph and a specific causal effect of interest, what is the subgraph which has the highest plausibility and for which the causal effect is identifiable? We show that answering this question reduces to solving an NP-hard combinatorial optimization problem which we call the edge ID problem. We propose efficient algorithms to approximate this problem and evaluate them against both real-world networks and randomly generated graphs.
FAST: a Fused and Accurate Shrinkage Tree for Heterogeneous Treatment Effects Estimation
Authors: Caizhi Tang, Han Yan, Qing Cui, Longfei Li, Jun Zhou Jia Gu
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: This paper proposes a novel strategy for estimating the heterogeneous treatment effect  called the Fused and Accurate Shrinkage Tree ($\mathrm{FAST}$). Our approach utilizes both trial and observational data to improve the accuracy and robustness of the estimator. Inspired by the concept of shrinkage estimation in statistics, we develop an optimal weighting scheme and a corresponding estimator that balances the unbiased estimator based on the trial data with the potentially biased estimator based on the observational data. Specifically, combined with tree-based techniques, we introduce a new split criterion that utilizes both trial data and observational data to more accurately estimate the treatment effect. Furthermore, we confirm the consistency of our proposed tree-based estimator and demonstrate the effectiveness of our criterion in reducing prediction error through theoretical analysis.  The advantageous  finite sample performance of the $\mathrm{FAST}$ and its ensemble version over existing methods is demonstrated via  simulations and real data analysis.
Characterizing Graph Datasets for Node Classification: Homophily-Heterophily Dichotomy and Beyond
Authors: Denis Kuznedelev, Artem Babenko, Liudmila Prokhorenkova Oleg Platonov
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Homophily is a graph property describing the tendency of edges to connect similar nodes; the opposite is called heterophily. It is often believed that heterophilous graphs are challenging for standard message-passing graph neural networks (GNNs), and much effort has been put into developing efficient methods for this setting. However, there is no universally agreed-upon measure of homophily in the literature. In this work, we show that commonly used homophily measures have critical drawbacks preventing the comparison of homophily levels across different datasets. For this, we formalize desirable properties for a proper homophily measure and verify which measures satisfy which properties. In particular, we show that a measure that we call adjusted homophily satisfies more desirable properties than other popular homophily measures while being rarely used in graph machine learning literature. Then, we go beyond the homophily-heterophily dichotomy and propose a new characteristic that allows one to further distinguish different sorts of heterophily. The proposed label informativeness (LI) characterizes how much information a neighbor's label provides about a node's label. We prove that this measure satisfies important desirable properties. We also observe empirically that LI better agrees with GNN performance compared to homophily measures, which confirms that it is a useful characteristic of the graph structure.
Equivariant Flow Matching with Hybrid Probability Transport for 3D Molecule Generation
Authors: Jingjing Gong, Minkai Xu, Ziyao Cao, Yanyan Lan, Stefano Ermon, Hao Zhou, Wei-Ying Ma Yuxuan Song
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The generation of 3D molecules requires simultaneously deciding the categorical features (atom types) and continuous features (atom coordinates). Deep generative models, especially Diffusion Models (DMs), have demonstrated effectiveness in generating feature-rich geometries. However, existing DMs typically suffer from unstable probability dynamics with inefficient sampling speed. In this paper, we introduce geometric flow matching, which enjoys the advantages of both equivariant modeling and stabilized probability dynamics. More specifically, we propose a hybrid probability path where the coordinates probability path is regularized by an equivariant optimal transport, and the information between different modalities is aligned. Experimentally, the proposed method could consistently achieve better performance on multiple molecule generation benchmarks with 4.75$\times$ speed up of sampling on average.
Hyperbolic VAE via Latent Gaussian Distributions
Authors: Juyong Lee, Dongwoo Kim Seunghyuk Cho
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We propose a Gaussian manifold variational auto-encoder (GM-VAE) whose latent space consists of a set of Gaussian distributions. It is known that the set of the univariate Gaussian distributions with the Fisher information metric form a hyperbolic space, which we call a Gaussian manifold. To learn the VAE endowed with the Gaussian manifolds, we propose a pseudo-Gaussian manifold normal distribution based on the Kullback-Leibler divergence, a local approximation of the squared Fisher-Rao distance, to define a density over the latent space. We demonstrate the efficacy of GM-VAE on two different tasks: density estimation of image datasets and state representation learning for model-based reinforcement learning. GM-VAE outperforms the other variants of hyperbolic- and Euclidean-VAEs on density estimation tasks and shows competitive performance in model-based reinforcement learning. We observe that our model provides strong numerical stability, addressing a common limitation reported in previous hyperbolic-VAEs. The implementation is available at https://github.com/ml-postech/GM-VAE.
A Simple Solution for Offline Imitation from Observations and Examples with Possibly Incomplete Trajectories
Authors: Alex Schwing, Yu-Xiong Wang Kai Yan
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Offline imitation from observations aims to solve MDPs where only task-specific expert states and task-agnostic non-expert state-action pairs are available. Offline imitation is useful in real-world scenarios where arbitrary interactions are costly and expert actions are unavailable. The state-of-the-art ‘DIstribution Correction Estimation’ (DICE) methods minimize divergence of state occupancy between expert and learner policies and retrieve a policy with weighted behavior cloning; however, their results are unstable when learning from incomplete trajectories, due to a non-robust optimization in the dual domain. To address the issue, in this paper, we propose Trajectory-Aware Imitation Learning from Observations (TAILO). TAILO uses a discounted sum along the future trajectory as the weight for weighted behavior cloning. The terms for the sum are scaled by the output of a discriminator, which aims to identify expert states. Despite simplicity, TAILO works well if there exist trajectories or segments of expert behavior in the task-agnostic data, a common assumption in prior work. In experiments across multiple testbeds, we find TAILO to be more robust and effective, particularly with incomplete trajectories.
Defending against Data-Free Model Extraction by  Distributionally Robust Defensive Training
Authors: Li Shen, Tongliang Liu, Tiehang Duan, Yanjun Zhu, Donglin Zhan, DAVID DOERMANN, Mingchen Gao Zhenyi Wang
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Data-Free Model Extraction (DFME) aims to clone a black-box model without knowing its original training data distribution, making it much easier for attackers to steal commercial models. Defense against DFME faces several challenges: (i) effectiveness; (ii) efficiency; (iii) no prior on the attacker's query data distribution and strategy. However, existing defense methods: (1) are highly computation and memory inefficient; or (2) need strong assumptions about attack data distribution; or (3) can only delay the attack or prove a model theft after the model stealing has happened. In this work, we propose a Memory and Computation efficient defense approach, named MeCo, to prevent DFME from happening while maintaining the model utility simultaneously by distributionally robust defensive training on the target victim model. Specifically, we randomize the input so that it: (1) causes a mismatch of the knowledge distillation loss for attackers; (2) disturbs the zeroth-order gradient estimation; (3) changes the label prediction for the attack query data. Therefore, the attacker can only extract misleading information from the black-box model. Extensive experiments on defending against both decision-based and score-based DFME demonstrate that MeCo can significantly reduce the effectiveness of existing DFME methods and substantially improve running efficiency.
Large language models transition from integrating across position-yoked, exponential windows to structure-yoked, power-law windows
Authors: Samuel Norman-Haignere David Skrill
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Modern language models excel at integrating across long temporal scales needed to encode linguistic meaning and show non-trivial similarities to biological neural systems. Prior work suggests that human brain responses to language exhibit hierarchically organized "integration windows" that substantially constrain the overall influence of an input token (e.g., a word) on the neural response. However, little prior work has attempted to use integration windows to characterize computations in large language models (LLMs). We developed a simple word-swap procedure for estimating integration windows from black-box language models that does not depend on access to gradients or knowledge of the model architecture (e.g., attention weights). Using this method, we show that trained LLMs exhibit stereotyped integration windows that are well-fit by a convex combination of an exponential and a power-law function, with a partial transition from exponential to power-law dynamics across network layers. We then introduce a metric for quantifying the extent to which these integration windows vary with structural boundaries (e.g., sentence boundaries), and using this metric, we show that integration windows become increasingly yoked to structure at later network layers. None of these findings were observed in an untrained model, which as expected integrated uniformly across its input. These results suggest that LLMs learn to integrate information in natural language using a stereotyped pattern: integrating across position-yoked, exponential windows at early layers, followed by structure-yoked, power-law windows at later layers. The methods we describe in this paper provide a general-purpose toolkit for understanding temporal integration in language models, facilitating cross-disciplinary research at the intersection of biological and artificial intelligence.
Where are we in the search for an Artificial Visual Cortex for Embodied Intelligence?
Authors: Karmesh Yadav, Sergio Arnaud, Jason Ma, Claire Chen, Sneha Silwal, Aryan Jain, Vincent-Pierre Berges, Tingfan Wu, Jay Vakil, Pieter Abbeel, Jitendra Malik, Dhruv Batra, Yixin Lin, Oleksandr Maksymets, Aravind Rajeswaran, Franziska Meier Arjun Majumdar
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present the largest and most comprehensive empirical study of pre-trained visual representations (PVRs) or visual ‘foundation models’ for Embodied AI. First, we curate CortexBench, consisting of 17 different tasks spanning locomotion, navigation, dexterous, and mobile manipulation. Next, we systematically evaluate existing PVRs and find that none are universally dominant. To study the effect of pre-training data size and diversity, we combine over 4,000 hours of egocentric videos from 7 different sources (over 4.3M images) and ImageNet to train different-sized vision transformers using Masked Auto-Encoding (MAE) on slices of this data. Contrary to inferences from prior work, we find that scaling dataset size and diversity does not improve performance universally (but does so on average). Our largest model, named VC-1, outperforms all prior PVRs on average but does not universally dominate either. Next, we show that task- or domain-specific adaptation of VC-1 leads to substantial gains, with VC-1 (adapted) achieving competitive or superior performance than the best known results on all of the benchmarks in CortexBench. Finally, we present real-world hardware experiments, in which VC-1 and VC-1 (adapted) outperform the strongest pre-existing PVR. Overall, this paper presents no new techniques but a rigorous systematic evaluation, a broad set of findings about PVRs (that in some cases, refute those made in narrow domains in prior work), and open-sourced code and models (that required over 10,000 GPU-hours to train) for the benefit of the research community.
Belief Projection-Based Reinforcement Learning for Environments with Delayed Feedback
Authors: Hangyeol Kim, Jiwook Kang, Jongchan Baek, Soohee Han Jangwon Kim
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We present a novel actor-critic algorithm for an environment with delayed feedback, which addresses the state-space explosion problem of conventional approaches. Conventional approaches use an augmented state constructed from the last observed state and actions executed since visiting the last observed state. Using the augmented state space, the correct Markov decision process for delayed environments can be constructed; however, this causes the state space to explode as the number of delayed timesteps increases, leading to slow convergence. Our proposed algorithm, called Belief-Projection-Based Q-learning (BPQL), addresses the state-space explosion problem by evaluating the values of the critic for which the input state size is equal to the original state-space size rather than that of the augmented one. We compare BPQL to traditional approaches in continuous control tasks and demonstrate that it significantly outperforms other algorithms in terms of asymptotic performance and sample efficiency. We also show that BPQL solves long-delayed environments, which conventional approaches are unable to do.
Batchnorm Allows Unsupervised Radial Attacks
Authors: Apurv Gupta, Yaoliang Yu, Pascal Poupart Amur Ghose
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The construction of adversarial examples usually requires the existence of soft or hard labels for each instance, with respect to which a loss gradient provides the signal for construction of the example. We show that for batch normalized deep image recognition architectures, intermediate latents that are produced after a batch normalization step by themselves suffice to produce adversarial examples using an intermediate loss solely utilizing angular deviations, without relying on any label. We motivate our loss through the geometry of batch normed representations and their concentration of norm on a hypersphere and distributional proximity to Gaussians. Our losses expand intermediate latent based attacks that usually require labels. The success of our method implies that leakage of intermediate representations may create a security breach for deployed models, which persists even when the model is transferred to downstream usage. Removal of batch norm weakens our attack, indicating it contributes to this vulnerability. Our attacks also succeed against LayerNorm empirically, thus being relevant for transformer architectures, most notably vision transformers which we analyze.
Detecting Any Human-Object Interaction Relationship: Universal HOI Detector with Spatial Prompt Learning on Foundation Models
Authors: Qingfei Tang, Xiu Su, Song Chen, Shan You, Xiaobo Lu, Chang Xu Yichao Cao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Human-object interaction (HOI) detection aims to comprehend the intricate relationships between humans and objects, predicting  triplets, and serving as the foundation for numerous computer vision tasks. The complexity and diversity of human-object interactions in the real world, however, pose significant challenges for both annotation and recognition, particularly in recognizing interactions within an open world context. This study explores the universal interaction recognition in an open-world setting through the use of Vision-Language (VL) foundation models and large language models (LLMs). The proposed method is dubbed as UniHOI. We conduct a deep analysis of the three hierarchical features inherent in visual HOI detectors and propose a method for high-level relation extraction aimed at VL foundation models, which we call HO prompt-based learning. Our design includes an HO Prompt-guided Decoder (HOPD), facilitates the association of high-level relation representations in the foundation model with various HO pairs within the image. Furthermore, we utilize a LLM (i.e. GPT) for interaction interpretation, generating a richer linguistic understanding for complex HOIs. For open-category interaction recognition, our method supports either of two input types: interaction phrase or interpretive sentence.  Our efficient architecture design and learning methods effectively unleash the potential of the VL foundation models and LLMs, allowing UniHOI to surpass all existing methods with a substantial margin, under both supervised and zero-shot settings. The code and pre-trained weights will be made publicly available.
Smoothing the Landscape Boosts the Signal for SGD: Optimal Sample Complexity for Learning Single Index Models
Authors: Eshaan Nichani, Rong Ge, Jason Lee Alex Damian
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We focus on the task of learning a single index model $\sigma(w^\star \cdot x)$ with respect to the isotropic Gaussian distribution in $d$ dimensions. Prior work has shown that the sample complexity of learning $w^\star$ is governed by the information exponent $k^\star$ of the link function $\sigma$, which is defined as the index of the first nonzero Hermite coefficient of $\sigma$. Ben Arous et al. (2021) showed that $n \gtrsim d^{k^\star-1}$ samples suffice for learning $w^\star$ and that this is tight for online SGD. However, the CSQ lower bound for gradient based methods only shows that $n \gtrsim d^{k^\star/2}$ samples are necessary. In this work, we close the gap between the upper and lower bounds by showing that online SGD on a smoothed loss learns $w^\star$ with $n \gtrsim d^{k^\star/2}$ samples. We also draw connections to statistical analyses of tensor PCA and to the implicit regularization effects of minibatch SGD on empirical losses.
A Scale-Invariant Sorting Criterion to Find a Causal Order in Additive Noise Models
Authors: Myriam Tami, Christof Seiler, Antoine Chambaz, Sebastian Weichwald Alexander Reisach
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: Additive Noise Models (ANMs) are a common model class for causal discovery from observational data. Due to a lack of real-world data for which an underlying ANM is known, ANMs with randomly sampled parameters are commonly used to simulate data for the evaluation of causal discovery algorithms. While some parameters may be fixed by explicit assumptions, fully specifying an ANM requires choosing all parameters. Reisach et al. (2021) show that, for many ANM parameter choices, sorting the variables by increasing variance yields an ordering close to a causal order and introduce ‘var-sortability’ to quantify this alignment. Since increasing variances may be unrealistic and cannot be exploited when data scales are arbitrary, ANM data are often rescaled to unit variance in causal discovery benchmarking.We show that synthetic ANM data are characterized by another pattern that is scale-invariant and thus persists even after standardization: the explainable fraction of a variable’s variance, as captured by the coefficient of determination $R^2$, tends to increase along the causal order. The result is high ‘$R^2$-sortability’, meaning that sorting the variables by increasing $R^2$ yields an ordering close to a causal order. We propose a computationally efficient baseline algorithm termed ‘$R^2$-SortnRegress’ that exploits high $R^2$-sortability and that can match and exceed the performance of established causal discovery algorithms. We show analytically that sufficiently high edge weights lead to a relative decrease of the noise contributions along causal chains, resulting in increasingly deterministic relationships and high $R^2$. We characterize $R^2$-sortability on synthetic data with different simulation parameters and find high values in common settings. Our findings reveal high $R^2$-sortability as an assumption about the data generating process relevant to causal discovery and implicit in many ANM sampling schemes. It should be made explicit, as its prevalence in real-world data is an open question. For causal discovery benchmarking, we provide implementations of $R^2$-sortability, the $R^2$-SortnRegress algorithm, and ANM simulation procedures in our library CausalDisco at https://causaldisco.github.io/CausalDisco/.
PROTES: Probabilistic Optimization with Tensor Sampling
Authors: Andrei Chertkov, Gleb Ryzhakov, Ivan Oseledets Anastasiia Batsheva
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: We developed a new method PROTES for black-box optimization, which is based on the probabilistic sampling from a probability density function given in the low-parametric tensor train format. We tested it on complex multidimensional arrays and discretized multivariable functions taken, among others, from real-world applications, including unconstrained binary optimization and optimal control problems, for which the possible number of elements is up to $2^{1000}$. In numerical experiments, both on analytic model functions and on complex problems, PROTES outperforms popular discrete optimization methods (Particle Swarm Optimization, Covariance Matrix Adaptation, Differential Evolution, and others).
Perturbation Towards Easy Samples Improves Targeted Adversarial Transferability
Authors: Biqing Qi, Yao Li, Zhichang Guo, Dong Li, Yuming Xing, Dazhi Zhang Junqi Gao
Published in: Advances in Neural Information Processing Systems 36  (NeurIPS 2023) (Main Conference Track), 2023

Abstract: The transferability of adversarial perturbations provides an effective shortcut for black-box attacks. Targeted perturbations have greater practicality but are more difficult to transfer between models. In this paper, we experimentally and theoretically demonstrated that neural networks trained on the same dataset have more consistent performance in High-Sample-Density-Regions (HSDR) of each class instead of low sample density regions. Therefore, in the target setting, adding perturbations towards HSDR of the target class is more effective in improving transferability. However, density estimation is challenging in high-dimensional scenarios. Further theoretical and experimental verification demonstrates that easy samples with low loss are more likely to be located in HSDR. Perturbations towards such easy samples in the target class can avoid density estimation for HSDR location. Based on the above facts, we verified that adding perturbations to easy samples in the target class improves targeted adversarial transferability of existing attack methods. A generative targeted attack strategy named Easy Sample Matching Attack (ESMA) is proposed, which has a higher success rate for targeted attacks and outperforms the SOTA generative method. Moreover, ESMA requires only $5\%$ of the storage space and much less computation time comparing to the current SOTA, as ESMA attacks all classes with only one model instead of seperate models for each class. Our code is available at https://github.com/gjq100/ESMA