mtybilly/Instruct2DS huggingface dataset:
When Adversarial Training Meets Vision Transformers: Recipes from Training to Architecture
Authors: Dongxian Wu, Yifei Wang, Yiwen Guo, Yisen Wang Yichuan Mo
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Vision Transformers (ViTs) have recently achieved competitive performance in broad vision tasks. Unfortunately, on popular threat models, naturally trained ViTs are shown to provide no more adversarial robustness than convolutional neural networks (CNNs). Adversarial training is still required for ViTs to defend against such adversarial attacks. In this paper, we provide the first and comprehensive study on the adversarial training recipe of ViTs via extensive evaluation of various training techniques across benchmark datasets. We find that pre-training and SGD optimizer are necessary for ViTs' adversarial training. Further considering ViT as a new type of model architecture, we investigate its adversarial robustness from the perspective of its unique architectural components. We find, when randomly masking gradients from some attention blocks or masking perturbations on some patches during adversarial training, the adversarial robustness of ViTs can be remarkably improved, which may potentially open up a line of work to explore the architectural information inside the newly designed models like ViTs. Our code is available at https://github.com/mo666666/When-Adversarial-Training-Meets-Vision-Transformers.
Escaping from the Barren Plateau via Gaussian Initializations in Deep Variational Quantum Circuits
Authors: Liu Liu, Min-Hsiu Hsieh, Dacheng Tao Kaining Zhang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Variational quantum circuits have been widely employed in quantum simulation and quantum machine learning in recent years. However, quantum circuits with random structures have poor trainability due to the exponentially vanishing gradient with respect to the circuit depth and the qubit number. This result leads to a general standpoint that deep quantum circuits would not be feasible for practical tasks. In this work, we propose an initialization strategy with theoretical guarantees for the vanishing gradient problem in general deep quantum circuits. Specifically, we prove that under proper Gaussian initialized parameters, the norm of the gradient decays at most polynomially when the qubit number and the circuit depth increase. Our theoretical results hold for both the local and the global observable cases, where the latter was believed to have vanishing gradients even for very shallow circuits. Experimental results verify our theoretical findings in quantum simulation and quantum chemistry.
A sharp NMF result with applications in network modeling
Authors: Jiashun Jin
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Given an $n \times n$  non-negative rank-$K$ matrix $\Omega$ where $m$ eigenvalues are negative, when can we write $\Omega = Z P Z'$ for non-negative matrices $Z \in \mathbb{R}^{n, K}$ and $P \in \mathbb{R}^{K, K}$?  While most existing works focused on the case of $m = 0$, our primary interest is on the case of  general $m$. With new proof ideas we develop, we present sharp results on when the NMF problem is solvable, which significantly extend existing results on this topic. The NMF problem is partially motivated by applications in network modeling.   For a network with $K$ communities,  rank-$K$ models are popular, with many proposals. The DCMM model is a recent rank-$K$ model which is especially useful and interpretable in practice. To enjoy such properties,  it is of interest to study when a rank-$K$ model can be rewritten as a DCMM model. Using our NMF results, we show that for a rank-$K$ model with parameters in the most interesting range, we can always rewrite it as a DCMM model.
Decoupling Classifier for Boosting Few-shot Object Detection and Instance Segmentation
Authors: Xiaochen Chen, Zhongyi Huang, Congchong Nie, Jun Liu, Jinxiang Lai, GUANNAN JIANG, Xi Wang, Chengjie Wang Bin-Bin Gao
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: This paper focus on few-shot object detection~(FSOD) and instance segmentation~(FSIS), which requires a model to quickly adapt to novel classes with a few labeled instances. The existing methods severely suffer from bias classification because of the missing label issue which naturally exists in an instance-level few-shot scenario and is first formally proposed by us. Our analysis suggests that the standard classification head of most FSOD or FSIS models needs to be decoupled to mitigate the bias classification. Therefore, we propose an embarrassingly simple but effective method that decouples the standard classifier into two heads. Then, these two individual heads are capable of independently addressing clear positive samples and noisy negative samples which are caused by the missing label. In this way, the model can effectively learn novel classes while mitigating the effects of noisy negative samples. Without bells and whistles, our model without any additional computation cost and parameters consistently outperforms its baseline and state-of-the-art by a large margin on PASCAL VOC and MS-COCO benchmarks for FSOD and FSIS tasks.\footnote{\url{https://csgaobb.github.io/Projects/DCFS}.}
Private Estimation with Public Data
Authors: Gautam Kamath, Vikrant Singhal Alex Bie
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We initiate the study of differentially private (DP) estimation with access to a small amount of public data. For private estimation of $d$-dimensional Gaussians, we assume that the public data comes from a Gaussian that may have vanishing similarity in total variation distance with the underlying Gaussian of the private data. We show that under the constraints of pure or concentrated DP, $d+1$ public data samples are sufficient to remove any dependence on the range parameters of the private data distribution from the private sample complexity, which is known to be otherwise necessary without public data. For separated Gaussian mixtures, we assume that the underlying public and private distributions are the same, and we consider two settings: (1) when given a dimension-independent amount of public data, the private sample complexity can be improved polynomially in terms of the number of mixture components, and any dependence on the range parameters of the distribution can be removed in the approximate DP case; (2) when given an amount of public data linear in the dimension, the private sample complexity can be made independent of range parameters even under concentrated DP, and additional improvements can be made to the overall sample complexity.
Pre-activation Distributions Expose Backdoor Neurons
Authors: Rongjun Tang, Jianze Li, Li Liu Runkai Zheng
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Convolutional neural networks (CNN) can be manipulated to perform specific behaviors when encountering a particular trigger pattern without affecting the performance on normal samples, which is referred to as backdoor attack. The backdoor attack is usually achieved by injecting a small proportion of poisoned samples into the training set, through which the victim trains a model embedded with the designated backdoor. In this work, we demonstrate that backdoor neurons are exposed by their pre-activation distributions, where populations from benign data and poisoned data show significantly different moments. This property is shown to be attack-invariant and allows us to efficiently locate backdoor neurons. On this basis, we make several proper assumptions on the neuron activation distributions, and propose two backdoor neuron detection strategies based on (1) the differential entropy of the neurons, and (2) the Kullback-Leibler divergence between the benign sample distribution and a poisoned statistics based hypothetical distribution. Experimental results show that our proposed defense strategies are both efficient and effective against various backdoor attacks.
DaDA: Distortion-aware Domain Adaptation for Unsupervised Semantic Segmentation
Authors: Joohan Na, Dokwan Oh Sujin Jang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Distributional shifts in photometry and texture have been extensively studied for unsupervised domain adaptation, but their counterparts in optical distortion have been largely neglected. In this work, we tackle the task of unsupervised domain adaptation for semantic image segmentation where unknown optical distortion exists between source and target images. To this end, we propose a distortion-aware domain adaptation (DaDA) framework that boosts the unsupervised segmentation performance. We first present a relative distortion learning (RDL) approach that is capable of modeling domain shifts in fine-grained geometric deformation based on diffeomorphic transformation. Then, we demonstrate that applying additional global affine transformations to the diffeomorphically transformed source images can further improve the segmentation adaptation. Besides, we find that our distortion-aware adaptation method helps to enhance self-supervised learning by providing higher-quality initial models and pseudo labels. To evaluate, we propose new distortion adaptation benchmarks, where rectilinear source images and fisheye target images are used for unsupervised domain adaptation. Extensive experimental results highlight the effectiveness of our approach over state-of-the-art methods under unknown relative distortion across domains. Datasets and more information are available at https://sait-fdd.github.io/.
Large-batch Optimization for Dense Visual Predictions: Training Faster R-CNN in 4.2 Minutes
Authors: Jianming Liang, Guanglu Song, Zhuofan Zong, Liang Chen, Yu Liu, Ping Luo Zeyue Xue
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Training a large-scale deep neural network in a large-scale dataset is challenging and time-consuming. The recent breakthrough of large-batch optimization is a promising way to tackle this challenge. However, although the current advanced algorithms such as LARS and LAMB succeed in classification models, the complicated pipelines of dense visual predictions such as object detection and segmentation still suffer from the heavy performance drop in the large-batch training regime. To address this challenge, we propose a simple yet effective algorithm, named Adaptive Gradient Variance Modulator (AGVM), which can train dense visual predictors with very large batch size, enabling several benefits more appealing than prior arts. Firstly, AGVM can align the gradient variances between different modules in the dense visual predictors, such as backbone, feature pyramid network (FPN), detection, and segmentation heads. We show that training with a large batch size can fail with the gradient variances misaligned among them, which is a phenomenon primarily overlooked in previous work. Secondly, AGVM is a plug-and-play module that generalizes well to many different architectures (e.g., CNNs and Transformers) and different tasks (e.g., object detection, instance segmentation, semantic segmentation, and panoptic segmentation). It is also compatible with different optimizers (e.g., SGD and AdamW). Thirdly, a theoretical analysis of AGVM is provided. Extensive experiments on the COCO and ADE20K datasets demonstrate the superiority of AGVM. For example, AGVM demonstrates more stable generalization performance than prior arts under extremely large batch size (i.e., 10k). AGVM can train Faster R-CNN+ResNet50 in 4.2 minutes without losing performance. It enables training an object detector with one billion parameters in just 3.5 hours, reducing the training time by 20.9×, whilst achieving 62.2 mAP on COCO. The deliverables will be released at https://github.com/Sense-X/AGVM.
Most Activation Functions Can Win the Lottery Without Excessive Depth
Authors: Rebekka Burkholz
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The strong lottery ticket hypothesis has highlighted the potential for training deep neural networks by pruning, which has inspired interesting practical and theoretical insights into how neural networks can represent functions. For networks with ReLU activation functions, it has been proven that a target network with depth L can be approximated by the subnetwork of a randomly initialized neural network that has double the target's depth 2L and is wider by a logarithmic factor. We show that a depth L+1 is sufficient. This result indicates that we can expect to find lottery tickets at realistic, commonly used depths while only requiring logarithmic overparametrization. Our novel construction approach applies to a large class of activation functions and is not limited to ReLUs. Code is available on Github (RelationalML/LT-existence).
Rapid Model Architecture Adaption for Meta-Learning
Authors: Xitong Gao, I Shumailov, Nicolo Fusi, Robert Mullins Yiren Zhao
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Network Architecture Search (NAS) methods have recently gathered much attention. They design networks with better performance and use a much shorter search time compared to traditional manual tuning. Despite their efficiency in model deployments, most NAS algorithms target a single task on a fixed hardware system. However, real-life few-shot learning environments often cover a great number of tasks ($T$) and deployments on a wide variety of hardware platforms ($H$). The combinatorial search complexity $T \times H$ creates a fundamental search efficiency challenge if one naively applies existing NAS methods to these scenarios. To overcome this issue, we show, for the first time, how to rapidly adapt model architectures to new tasks in a \emph{many-task many-hardware} few-shot learning setup by integrating Model Agnostic Meta Learning (MAML) into the NAS flow. The proposed NAS method (H-Meta-NAS) is hardware-aware and performs optimisation in the MAML framework. MetaNAS shows a Pareto dominance compared to a variety of NAS and manual baselines in popular few-shot learning benchmarks with various hardware platforms and constraints. In particular, on the 5-way 1-shot Mini-ImageNet classification task,  the proposed method outperforms the best manual baseline by a large margin ($5.21\%$ in accuracy) using $60\%$ less computation.
Exploring through Random Curiosity with General Value Functions
Authors: Louis Kirsch, Sjoerd van Steenkiste, Jürgen Schmidhuber Aditya Ramesh
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Efficient exploration in reinforcement learning is a challenging problem commonly addressed through intrinsic rewards. Recent prominent approaches are based on state novelty or variants of artificial curiosity. However, directly applying them to partially observable environments can be ineffective and lead to premature dissipation of intrinsic rewards. Here we propose random curiosity with general value functions (RC-GVF), a novel intrinsic reward function that draws upon connections between these distinct approaches. Instead of using only the current observation’s novelty or a curiosity bonus for failing to predict precise environment dynamics, RC-GVF derives intrinsic rewards through predicting temporally extended general value functions. We demonstrate that this improves exploration in a hard-exploration diabolical lock problem. Furthermore, RC-GVF significantly outperforms previous methods in the absence of ground-truth episodic counts in the partially observable MiniGrid environments. Panoramic observations on MiniGrid further boost RC-GVF's performance such that it is competitive to baselines exploiting privileged information in form of episodic counts.
Optimal Transport-based Identity Matching for Identity-invariant Facial Expression Recognition
Authors: Byung Cheol Song Daeha Kim
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Identity-invariant facial expression recognition (FER) has been one of the challenging computer vision tasks. Since conventional FER schemes do not explicitly address the inter-identity variation of facial expressions, their neural network models still operate depending on facial identity. This paper proposes to quantify the inter-identity variation by utilizing pairs of similar expressions explored through a specific matching process. We formulate the identity matching process as an Optimal Transport (OT) problem. Specifically, to find pairs of similar expressions from different identities, we define the inter-feature similarity as a transportation cost. Then, optimal identity matching to find the optimal flow with minimum transportation cost is performed by Sinkhorn-Knopp iteration. The proposed matching method is not only easy to plug in to other models, but also requires only acceptable computational overhead. Extensive simulations prove that the proposed FER method improves the PCC/CCC performance by up to 10% or more compared to the runner-up on wild datasets. The source code and software demo are available at https://github.com/kdhht2334/ELIM_FER.
Unsupervised Learning under Latent Label Shift
Authors: Pranav Mani, Saurabh Garg, Zachary Lipton Manley Roberts
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: What sorts of structure might enable a learner to discover classes from unlabeled data? Traditional approaches rely on feature-space similarity and heroic assumptions on the data. In this paper, we introduce unsupervised learning under Latent Label Shift (LLS), where the label marginals $p_d(y)$ shift but the class conditionals $p(x|y)$ do not. This work instantiates a new principle for identifying classes: elements that shift together group together. For finite input spaces, we establish an isomorphism between LLS and topic modeling: inputs correspond to words, domains to documents, and labels to topics. Addressing continuous data, we prove that when each label's support contains a separable region, analogous to an anchor word, oracle access to $p(d|x)$ suffices to identify $p_d(y)$ and $p_d(y|x)$ up to permutation. Thus motivated, we introduce a practical algorithm that leverages domain-discriminative models as follows: (i) push examples through domain discriminator $p(d|x)$; (ii) discretize the data by clustering examples in $p(d|x)$ space; (iii) perform non-negative matrix factorization on the discrete data; (iv) combine the recovered $p(y|d)$ with the discriminator outputs $p(d|x)$ to compute $p_d(y|x) \; \forall d$. With semisynthetic experiments, we show that our algorithm can leverage domain information to improve upon competitiveunsupervised classification methods. We reveal a failure mode of standard unsupervised classification methods when data-space similarity does not indicate true groupings, and show empirically that our method better handles this case. Our results establish a deep connection between distribution shift and topic modeling, opening promising lines for future work.
SHINE: SubHypergraph Inductive Neural nEtwork
Authors: Yuan Luo
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Hypergraph neural networks can model multi-way connections among nodes of the graphs, which are common in real-world applications such as genetic medicine. In particular, genetic pathways or gene sets encode molecular functions driven by multiple genes, naturally represented as hyperedges. Thus, hypergraph-guided embedding can capture functional relations in learned representations. Existing hypergraph neural network models often focus on node-level or graph-level inference. There is an unmet need in learning powerful representations of subgraphs of hypergraphs in real-world applications. For example, a cancer patient can be viewed as a subgraph of genes harboring mutations in the patient, while all the genes are connected by hyperedges that correspond to pathways representing specific molecular functions. For accurate inductive subgraph prediction, we propose SubHypergraph Inductive Neural nEtwork (SHINE). SHINE uses informative genetic pathways that encode molecular functions as hyperedges to connect genes as nodes. SHINE jointly optimizes the objectives of end-to-end subgraph classification and hypergraph nodes' similarity regularization. SHINE simultaneously learns representations for both genes and pathways using strongly dual attention message passing. The learned representations are aggregated via a subgraph attention layer and used to train a multilayer perceptron for subgraph inferencing. We evaluated SHINE against a wide array of state-of-the-art (hyper)graph neural networks, XGBoost, NMF and polygenic risk score models, using large scale NGS and curated datasets. SHINE outperformed all comparison models significantly, and yielded interpretable disease models with functional insights.
Efficient Aggregated Kernel Tests using Incomplete $U$-statistics
Authors: Ilmun Kim, Benjamin Guedj, Arthur Gretton Antonin Schrab
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We propose a series of computationally efficient, nonparametric tests for the two-sample, independence and goodness-of-fit problems, using the  Maximum Mean Discrepancy (MMD), Hilbert Schmidt Independence Criterion (HSIC), and Kernel Stein Discrepancy (KSD), respectively. Our test statistics are incomplete $U$-statistics, with a computational cost that interpolates between linear time in the number of samples, and quadratic time, as associated with classical $U$-statistic tests. The three proposed tests aggregate over several kernel bandwidths to detect departures from the null on various scales: we call the resulting tests MMDAggInc, HSICAggInc and KSDAggInc. This procedure provides a solution to the fundamental kernel selection problem as we can aggregate a large number of kernels with several bandwidths without incurring a significant loss of test power. For the test thresholds, we derive a quantile bound for wild bootstrapped incomplete $U$-statistics, which is of independent interest. We derive non-asymptotic uniform separation rates for MMDAggInc and HSICAggInc, and quantify exactly the trade-off between computational efficiency and the attainable rates: this result is novel for tests based on incomplete $U$-statistics, to our knowledge. We further show that in the quadratic-time case, the wild bootstrap incurs no penalty to test power over more widespread permutation-based approaches, since both attain the same minimax optimal rates (which in turn match the rates that use oracle quantiles). We support our claims with numerical experiments on the trade-off between computational efficiency and test power. In all three testing frameworks, our proposed linear-time tests outperform the current linear-time state-of-the-art tests (or at least match their test power).
Influencing Long-Term Behavior in Multiagent Reinforcement Learning
Authors: Matthew Riemer, Miao Liu, Jakob Foerster, Michael Everett, Chuangchuang Sun, Gerald Tesauro, Jonathan P How Dong-Ki Kim
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The main challenge of multiagent reinforcement learning is the difficulty of learning useful policies in the presence of other simultaneously learning agents whose changing behaviors jointly affect the environment's transition and reward dynamics. An effective approach that has recently emerged for addressing this non-stationarity is for each agent to anticipate the learning of other agents and influence the evolution of future policies towards desirable behavior for its own benefit. Unfortunately, previous approaches for achieving this suffer from myopic evaluation, considering only a finite number of policy updates. As such, these methods can only influence transient future policies rather than achieving the promise of scalable equilibrium selection approaches that influence the behavior at convergence. In this paper, we propose a principled framework for considering the limiting policies of other agents as time approaches infinity. Specifically, we develop a new optimization objective that maximizes each agent's average reward by directly accounting for the impact of its behavior on the limiting set of policies that other agents will converge to. Our paper characterizes desirable solution concepts within this problem setting and provides practical approaches for optimizing over possible outcomes. As a result of our farsighted objective, we demonstrate better long-term performance than state-of-the-art baselines across a suite of diverse multiagent benchmark domains.
Quantized Training of Gradient Boosting Decision Trees
Authors: Guolin Ke, Zhuoming Chen, Shuxin Zheng, Tie-Yan Liu Yu Shi
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Recent years have witnessed significant success in Gradient Boosting Decision Trees (GBDT) for a wide range of machine learning applications. Generally, a consensus about GBDT's training algorithms is gradients and statistics are computed based on high-precision floating points. In this paper, we investigate an essentially important question which has been largely ignored by the previous literature - how many bits are needed for representing gradients in training GBDT? To solve this mystery, we propose to quantize all the high-precision gradients in a very simple yet effective way in the GBDT's training algorithm. Surprisingly, both our theoretical analysis and empirical studies show that the necessary precisions of gradients without hurting any performance can be quite low, e.g., 2 or 3 bits. With low-precision gradients, most arithmetic operations in GBDT training can be replaced by integer operations of 8, 16, or 32 bits. Promisingly, these findings may pave the way for much more efficient training of GBDT from several aspects: (1) speeding up the computation of gradient statistics in histograms; (2) compressing the communication cost of high-precision statistical information during distributed training; (3) the inspiration of utilization and development of hardware architectures which well support low-precision computation for GBDT training. Benchmarked on CPUs, GPUs, and distributed clusters, we observe up to 2$\times$ speedup of our simple quantization strategy compared with SOTA GBDT systems on extensive datasets, demonstrating the effectiveness and potential of the low-precision training of GBDT. The code will be released to the official repository of LightGBM.
Convergent Representations of Computer Programs in Human and Artificial Neural Networks
Authors: Ben Lipkin, Anna Ivanova, Evelina Fedorenko, Una-May O'Reilly Shashank Srikant
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: What aspects of computer programs are represented by the human brain during comprehension? We leverage brain recordings derived from functional magnetic resonance imaging (fMRI) studies of programmers comprehending Python code to evaluate the properties and code-related information encoded in the neural signal. We first evaluate a selection of static and dynamic code properties, such as abstract syntax tree (AST)-related and runtime-related metrics. Then, to learn whether brain representations encode fine-grained information about computer programs, we train a probe to align brain recordings with representations learned by a suite of ML models. We find that both the Multiple Demand and Language systems--brain systems which are responsible for very different cognitive tasks, encode specific code properties and uniquely align with machine learned representations of code. These findings suggest at least two distinct neural mechanisms mediating computer program comprehension and evaluation, prompting the design of code model objectives that go beyond static language modeling.We make all the corresponding code, data, and analysis publicly available at https://github.com/ALFA-group/code-representations-ml-brain
QC-StyleGAN - Quality Controllable Image Generation and Manipulation
Authors: Phong Tran The, Tan M. Dinh, Cuong Pham, Anh Tran Dat Viet Thanh Nguyen
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The introduction of high-quality image generation models, particularly the StyleGAN family, provides a powerful tool to synthesize and manipulate images. However, existing models are built upon high-quality (HQ) data as desired outputs, making them unfit for in-the-wild low-quality (LQ) images, which are common inputs for manipulation. In this work, we bridge this gap by proposing a novel GAN structure that allows for generating images with controllable quality. The network can synthesize various image degradation and restore the sharp image via a quality control code. Our proposed QC-StyleGAN can directly edit LQ images without altering their quality by applying GAN inversion and manipulation techniques. It also provides for free an image restoration solution that can handle various degradations, including noise, blur, compression artifacts, and their mixtures. Finally, we demonstrate numerous other applications such as image degradation synthesis, transfer, and interpolation.
Retrieve, Reason, and Refine: Generating Accurate and Faithful Patient Instructions
Authors: Bang Yang, Chenyu You, Xian Wu, Shen Ge, Zhangdaihong Liu, Xu Sun, Yang Yang, David Clifton Fenglin Liu
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The "Patient Instruction" (PI), which contains critical instructional information provided both to carers and to the patient at the time of discharge, is essential for the patient to manage their condition outside hospital. An accurate and easy-to-follow PI can improve the self-management of patients which can in turn reduce hospital readmission rates. However, writing an appropriate PI can be extremely time consuming for physicians, and is subject to being incomplete or error-prone for (potentially overworked) physicians. Therefore, we propose a new task that can provide an objective means of avoiding incompleteness, while reducing clinical workload: the automatic generation of the PI, which is imagined as being a document that the clinician can review, modify, and approve as necessary (rather than taking the human "out of the loop"). We build a benchmark clinical dataset and propose the Re$^3$Writer, which imitates the working patterns of physicians to first retrieve related working experience from historical PIs written by physicians, then reason related medical knowledge. Finally, it refines the retrieved working experience and reasoned medical knowledge to extract useful information, which is used to generate the PI for previously-unseen patient according to their health records during hospitalization. Our experiments show that, using our method, the performance of 6 different models can be substantially boosted across all metrics, with up to 20%, 11%, and 19% relative improvements in BLEU-4, ROUGE-L, and METEOR, respectively. Meanwhile, we show results from human evaluations to measure the effectiveness in terms of its usefulness for clinical practice. The code is available at https://github.com/AI-in-Health/Patient-Instructions.
Data Distributional Properties Drive Emergent In-Context Learning in Transformers
Authors: Adam Santoro, Andrew Lampinen, Jane Wang, Aaditya Singh, Pierre Richemond, James L. McClelland, Felix Hill Stephanie Chan
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Large transformer-based models are able to perform in-context few-shot learning, without being explicitly trained for it. This observation raises the question: what aspects of the training regime lead to this emergent behavior? Here, we show that this behavior is driven by the distributions of the training data itself. In-context learning emerges when the training data exhibits particular distributional properties such as burstiness (items appear in clusters rather than being uniformly distributed over time) and having a large number of rarely occurring classes. In-context learning also emerges more strongly when item meanings or interpretations are dynamic rather than fixed. These properties are exemplified by natural language, but are also inherent to naturalistic data in a wide range of other domains. They also depart significantly from the uniform, i.i.d. training distributions typically used for standard supervised learning. In our initial experiments, we found that in-context learning traded off against more conventional weight-based learning, and models were unable to achieve both simultaneously. However, our later experiments uncovered that the two modes of learning could co-exist in a single model when it was trained on data following a skewed Zipfian distribution -- another common property of naturalistic data, including language. In further experiments, we found that naturalistic data distributions were only able to elicit in-context learning in transformers, and not in recurrent models. Our findings indicate how the transformer architecture works together with particular properties of the training data to drive the intriguing emergent in-context learning behaviour of large language models, and indicate how future work might encourage both in-context and in-weights learning in domains beyond language.
Algorithms that Approximate Data Removal: New Results and Limitations
Authors: Ashia C Wilson Vinith Suriyakumar
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: We study the problem of deleting user data from machine learning models trained using empirical risk minimization (ERM). Our focus is on learning algorithms which return the empirical risk minimizer and approximate unlearning algorithms that comply with deletion requests that come in an online manner. Leveraging the infintesimal jacknife, we develop an online unlearning algorithm that is both computationally and memory efficient. Unlike prior memory efficient unlearning algorithms, we target ERM trained models that minimize objectives with non-smooth regularizers, such as the commonly used $\ell_1$, elastic net, or nuclear norm penalties. We also provide generalization, deletion capacity, and unlearning guarantees that are consistent with state of the art methods. Across a variety of benchmark datasets, our algorithm empirically improves upon the runtime of prior methods while maintaining the same memory requirements and test accuracy. Finally, we open a new direction of inquiry by proving that all approximate unlearning algorithms introduced so far fail to unlearn in problem settings where common hyperparameter tuning methods, such as cross-validation, have been used to select models.
LOT: Layer-wise Orthogonal Training on Improving l2 Certified Robustness
Authors: Linyi Li, Bo Li Xiaojun Xu
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Recent studies show that training deep neural networks (DNNs) with Lipschitz constraints are able to enhance adversarial robustness and other model properties such as stability. In this paper, we propose a layer-wise orthogonal training method (LOT) to effectively train 1-Lipschitz convolution layers via parametrizing an orthogonal matrix with an unconstrained matrix. We then efficiently compute the inverse square root of a convolution kernel by transforming the input domain to the Fourier frequency domain. On the other hand, as existing works show that semi-supervised training helps improve empirical robustness, we aim to bridge the gap and prove that semi-supervised learning also improves the certified robustness of Lipschitz-bounded models. We conduct comprehensive evaluations for LOT under different settings. We show that LOT significantly outperforms baselines regarding deterministic l2 certified robustness, and scales to deeper neural networks. Under the supervised scenario, we improve the state-of-the-art certified robustness for all architectures (e.g. from 59.04% to 63.50% on CIFAR-10 and from 32.57% to 34.59% on CIFAR-100 at radius $\rho=36/255$ for 40-layer networks). With semi-supervised learning over unlabelled data, we are able to improve state-of-the-art certified robustness on CIFAR-10 at $\rho=108/255$ from 36.04% to 42.39%. In addition, LOT consistently outperforms baselines on different model architectures with only 1/3 evaluation time.
Lottery Tickets on a Data Diet: Finding Initializations with Sparse Trainable Networks
Authors: Brett Larsen, Surya Ganguli, Jonathan Frankle, Gintare Karolina Dziugaite Mansheej Paul
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: A striking observation about iterative magnitude pruning (IMP; Frankle et al. 2020) is that—after just a few hundred steps of dense training—the method can find a sparse sub-network that can be trained to the same accuracy as the dense network. However, the same does not hold at step 0, i.e. random initialization. In this work, we seek to understand how this early phase of pre-training leads to a good initialization for IMP both through the lens of the data distribution and the loss landscape geometry. Empirically we observe that, holding the number of pre-training iterations constant, training on a small fraction of (randomly chosen) data suffices to obtain an equally good initialization for IMP. We additionally observe that by pre-training only on "easy" training data, we can decrease the number of steps necessary to find a good initialization for IMP compared to training on the full dataset or a randomly chosen subset. Finally, we identify novel properties of the loss landscape of dense networks that are predictive of IMP performance, showing in particular that more examples being linearly mode connected in the dense network correlates well with good initializations for IMP. Combined, these results provide new insight into the role played by the early phase training in IMP.
Regularized Molecular Conformation Fields
Authors: Yi Zhou, Yiqun Wang, Xiaoqing Zheng, Xuanjing Huang, Hao Zhou Lihao Wang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Predicting energetically favorable 3-dimensional conformations of organic molecules frommolecular graph plays a fundamental role in computer-aided drug discovery research.However, effectively exploring the high-dimensional conformation space to identify (meta) stable conformers is anything but trivial.In this work, we introduce RMCF, a novel framework to generate a diverse set of low-energy molecular conformations through samplingfrom a regularized molecular conformation field.We develop a data-driven molecular segmentation algorithm to automatically partition each molecule into several structural building blocks to reduce the modeling degrees of freedom.Then, we employ a Markov Random Field to learn the joint probability distribution of fragment configurations and inter-fragment dihedral angles, which enables us to sample from different low-energy regions of a conformation space.Our model constantly outperforms state-of-the-art models for the conformation generation task on the GEOM-Drugs dataset.We attribute the success of RMCF to modeling in a regularized feature space and learning a global fragment configuration distribution for effective sampling.The proposed method could be generalized to deal with larger biomolecular systems.
Reconstruction on Trees and Low-Degree Polynomials
Authors: Elchanan Mossel Frederic Koehler
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: The study of Markov processes and broadcasting on trees has deep connections to a variety of areas including statistical physics, graphical models, phylogenetic reconstruction, Markov Chain Monte Carlo, and community detection in random graphs. Notably, the celebrated Belief Propagation (BP) algorithm achieves Bayes-optimal performance for the reconstruction problem of predicting the value of the Markov process at the root of the tree from its values at the leaves.Recently, the analysis of low-degree polynomials has emerged as a valuable tool for predicting computational-to-statistical gaps. In this work, we investigate the performance of low-degree polynomials for the reconstruction problem on trees. Perhaps surprisingly, we show that there are simple tree models with $N$ leaves and bounded arity where (1) nontrivial reconstruction of the root value is possible with a simple polynomial time algorithm and with robustness to noise, but not with any polynomial of degree $N^{c}$ for $c > 0$ a constant depending only on the arity, and (2) when the tree is unknown and given multiple samples with correlated root assignments, nontrivial reconstruction of the root value is possible with a simple Statistical Query algorithm but not with any polynomial of degree $N^c$. These results clarify some of the limitations of low-degree polynomials vs. polynomial time algorithms for Bayesian estimation problems. They also complement recent work of Moitra, Mossel, and Sandon who studied the circuit complexity of Belief Propagation.  As a consequence of our main result, we are able to prove a result of independent interest regarding the performance of RBF kernel ridge regression for learning to predict the root coloration: for some $c' > 0$ depending only on the arity, $\exp(N^{c'})$ many samples are needed for the kernel regression to obtain nontrivial correlation with the true regression function (BP). We pose related open questions about low-degree polynomials and the Kesten-Stigum threshold.
Lower Bounds and Nearly Optimal Algorithms in Distributed Learning with Communication Compression
Authors: Yiming Chen, Wotao Yin, Kun Yuan Xinmeng Huang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Recent advances in distributed optimization and learning have shown that communication compression is one of the most effective means of reducing communication. While there have been many results for convergence rates with compressed communication, a lower bound is still missing.Analyses of algorithms with communication compression have identified two abstract properties that guarantee convergence: the unbiased property or the contractive property. They can be applied either unidirectionally (compressing messages from worker to server) or bidirectionally. In the smooth and non-convex stochastic regime, this paper establishes a lower bound for distributed algorithms whether using unbiased or contractive compressors in unidirection or bidirection. To close the gap between this lower bound and the best existing upper bound, we further propose an algorithm, NEOLITHIC, that almost reaches our lower bound (except for a logarithm factor) under mild conditions. Our results also show that using contractive compressors in bidirection can yield iterative methods that converge as fast as those using unbiased compressors unidirectionally. We report experimental results that validate our findings.
Memory safe computations with XLA compiler
Authors: Yuze An, Tilman Roeder, Mark van der Wilk Artem Artemev
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Software packages like TensorFlow and PyTorch are designed to support linear algebra operations, and their speed and usability determine their success. However, by prioritising speed, they often neglect memory requirements. As a consequence, the implementations of memory-intensive algorithms that are convenient in terms of software design can often not be run for large problems due to memory overflows. Memory-efficient solutions require complex programming approaches with significant logic outside the computational framework. This impairs the adoption and use of such algorithms. To address this, we developed an XLA compiler extension that adjusts the computational data-flow representation of an algorithm according to a user-specified memory limit. We show that k-nearest neighbour, sparse Gaussian process regression methods and Transformers can be run on a single device at a much larger scale, where standard implementations would have failed. Our approach leads to better use of hardware resources. We believe that further focus on removing memory constraints at a compiler level will widen the range of machine learning methods that can be developed in the future.
Towards Theoretically Inspired Neural Initialization Optimization
Authors: Hong Wang, Haobo Yuan, Zhouchen Lin Yibo Yang
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Main Conference Track), 2022

Abstract: Automated machine learning has been widely explored to reduce human efforts in designing neural architectures and looking for proper hyperparameters. In the domain of neural initialization, however, similar automated techniques have rarely been studied. Most existing initialization methods are handcrafted and highly dependent on specific architectures. In this paper, we propose a differentiable quantity, named GradCoisne, with theoretical insights to evaluate the initial state of a neural network. Specifically, GradCosine is the cosine similarity of sample-wise gradients with respect to the initialized parameters. By analyzing the sample-wise optimization landscape, we show that both the training and test performance of a network can be improved by maximizing GradCosine under gradient norm constraint. Based on this observation, we further propose the neural initialization optimization (NIO) algorithm. Generalized from the sample-wise analysis into the real batch setting, NIO is able to automatically look for a better initialization with negligible cost compared with the training time. With NIO, we improve the classification performance of a variety of neural architectures on CIFAR10, CIFAR-100, and ImageNet. Moreover, we find that our method can even help to train large vision Transformer architecture without warmup.
AnimeRun: 2D Animation Visual Correspondence from Open Source 3D Movies
Authors: Yuhang Li, Bo Li, Chao Dong, Ziwei Liu, Chen Change Loy Li Siyao
Published in: Advances in Neural Information Processing Systems 35  (NeurIPS 2022) (Datasets and Benchmarks Track), 2022

Abstract: Visual correspondence of 2D animation is the core of many applications and deserves careful study. Existing correspondence datasets for 2D cartoon suffer from simple frame composition and monotonic movements, making them  insufficient to simulate real animations. In this work, we present a new 2D animation visual correspondence dataset, AnimeRun, by converting open source 3D movies to full scenes in 2D style, including simultaneous moving background and interactions of multiple subjects. Statistics show that our proposed dataset not only resembles real anime more in image composition, but also possesses richer and more complex motion patterns compared to existing datasets. With this dataset, we establish a comprehensive benchmark by evaluating several existing optical flow and segment matching methods, and analyze shortcomings of these methods on animation data. Data are available at https://lisiyao21.github.io/projects/AnimeRun.