pwc-archive/papers-with-abstracts huggingface dataset:
Learning and Controlling Silicon Dopant Transitions in Graphene using Scanning Transmission Electron Microscopy
Authors: Max Schwarzer, Jesse Farebrother, Joshua Greaves, Ekin Dogus Cubuk, Rishabh Agarwal, Aaron Courville, Marc G. Bellemare, Sergei Kalinin, Igor Mordatch, Pablo Samuel Castro, Kevin M. Roccapriore
Date: 2023-11-21 00:00:00

We introduce a machine learning approach to determine the transition dynamics of silicon atoms on a single layer of carbon atoms, when stimulated by the electron beam of a scanning transmission electron microscope (STEM). Our method is data-centric, leveraging data collected on a STEM. The data samples are processed and filtered to produce symbolic representations, which we use to train a neural network to predict transition probabilities. These learned transition dynamics are then leveraged to guide a single silicon atom throughout the lattice to pre-determined target destinations. We present empirical analyses that demonstrate the efficacy and generality of our approach.
Defending Pre-trained Language Models as Few-shot Learners against Backdoor Attacks
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Pre-trained language models (PLMs) have demonstrated remarkable performance as few-shot learners. However, their security risks under such settings are largely unexplored. In this work, we conduct a pilot study showing that PLMs as few-shot learners are highly vulnerable to backdoor attacks while existing defenses are inadequate due to the unique challenges of few-shot scenarios. To address such challenges, we advocate MDP, a novel lightweight, pluggable, and effective defense for PLMs as few-shot learners. Specifically, MDP leverages the gap between the masking-sensitivity of poisoned and clean samples: with reference to the limited few-shot data as distributional anchors, it compares the representations of given samples under varying masking and identifies poisoned samples as ones with significant variations. We show analytically that MDP creates an interesting dilemma for the attacker to choose between attack effectiveness and detection evasiveness. The empirical evaluation using benchmark datasets and representative attacks validates the efficacy of MDP. The code of MDP is publicly available.
Understanding and Improving Ensemble Adversarial Defense
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

The strategy of ensemble has become popular in adversarial defense, which trains multiple base classifiers to defend against adversarial attacks in a cooperative manner. Despite the empirical success, theoretical explanations on why an ensemble of adversarially trained classifiers is more robust than single ones remain unclear. To fill in this gap, we develop a new error theory dedicated to understanding ensemble adversarial defense,  demonstrating a provable 0-1 loss reduction on challenging sample sets in adversarial defense scenarios. Guided by this theory, we propose an effective approach to improve ensemble adversarial defense, named interactive global adversarial training (iGAT). The proposal includes (1) a probabilistic distributing rule that selectively allocates to different base classifiers adversarial examples that are globally challenging to the ensemble, and (2) a regularization term to rescue the severest weaknesses of the base classifiers. Being tested over various existing ensemble adversarial defense techniques,  iGAT is capable of boosting their performance by up to 17\%  evaluated using  CIFAR10 and CIFAR100 datasets under both white-box and black-box attacks.
Red Teaming Deep Neural Networks with Feature Synthesis Tools
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Interpretable AI tools are often motivated by the goal of understanding model behavior in out-of-distribution (OOD) contexts. Despite the attention this area of study receives, there are comparatively few cases where these tools have identified previously unknown bugs in models. We argue that this is due, in part, to a common feature of many interpretability methods: they analyze model behavior by using a particular dataset. This only allows for the study of the model in the context of features that the user can sample in advance. To address this, a growing body of research involves interpreting models using feature synthesis methods that do not depend on a dataset. In this paper, we benchmark the usefulness of interpretability tools for model debugging. Our key insight is that we can implant human-interpretable trojans into models and then evaluate these tools based on whether they can help humans discover them. This is analogous to finding OOD bugs, except the ground truth is known, allowing us to know when a user's interpretation is correct. We make four contributions. (1) We propose trojan discovery as an evaluation task for interpretability tools and introduce a benchmark with 12 trojans of 3 different types. (2) We demonstrate the difficulty of this benchmark with a preliminary evaluation of 16 state-of-the-art feature attribution/saliency tools. Even under ideal conditions, given direct access to data with the trojan trigger, these methods still often fail to identify bugs. (3) We evaluate 7 feature-synthesis methods on our benchmark. (4) We introduce and evaluate 2 new variants of the best-performing method from the previous evaluation.
Mitigating the Popularity Bias of Graph Collaborative Filtering: A Dimensional Collapse Perspective
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Collaborative Filtering, Diversity, Recommendation Systems

Graph-based Collaborative Filtering (GCF) is widely used in personalized recommendation systems. However, GCF suffers from a fundamental problem where features tend to occupy the embedding space inefficiently (by spanning only a low-dimensional subspace). Such an effect is characterized in GCF by the embedding space being dominated by a few of popular items with the user embeddings highly concentrated around them. This enhances the so-called Matthew effect of the popularity bias where popular items are highly recommend whereas remaining items are ignored. In this paper, we analyze the above effect in GCF and reveal that the simplified graph convolution operation (typically used in GCF) shrinks the singular space of the feature matrix. As typical approaches  (i.e., optimizing the uniformity term) fail to prevent the embedding space degradation, we propose a decorrelation-enhanced GCF objective that promotes feature diversity by leveraging the so-called principle of redundancy reduction in embeddings. However, unlike conventional methods that use the Euclidean geometry to relax hard constraints for decorrelation, we exploit non-Euclidean geometry. Such a choice helps  maintain the range space of the matrix and obtain small condition number, which prevents the embedding space degradation. Our  method  outperforms contrastive-based GCF models on several benchmark datasets and improves the performance for unpopular items.
Disambiguated Attention Embedding for Multi-Instance Partial-Label Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In many real-world tasks, the concerned objects can be represented as a multi-instance bag associated with a candidate label set, which consists of one ground-truth label and several false positive labels. Multi-instance partial-label learning (MIPL) is a learning paradigm to deal with such tasks and has achieved favorable performances. Existing MIPL approach follows the instance-space paradigm by assigning augmented candidate label sets of bags to each instance and aggregating bag-level labels from instance-level labels. However, this scheme may be suboptimal as global bag-level information is ignored and the predicted labels of bags are sensitive to predictions of negative instances. In this paper, we study an alternative scheme where a multi-instance bag is embedded into a single vector representation. Accordingly, an intuitive algorithm named DEMIPL, i.e., Disambiguated attention Embedding for Multi-Instance Partial-Label learning, is proposed. DEMIPL employs a disambiguation attention mechanism to aggregate a multi-instance bag into a single vector representation, followed by a momentum-based disambiguation strategy to identify the ground-truth label from the candidate label set. Furthermore, we introduce a real-world MIPL dataset for colorectal cancer classification. Experimental results on benchmark and real-world datasets validate the superiority of DEMIPL against the compared MIPL and partial-label learning approaches.
Harnessing the power of choices in decision tree learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

We propose a simple generalization of standard and empirically successful decision tree learning algorithms such as ID3, C4.5, and CART.   These algorithms, which have been central to machine learning for decades, are greedy in nature: they grow a decision tree by iteratively splitting on the best attribute.  Our algorithm, Top-$k$, considers the $k$ best attributes as possible splits instead of just the single best attribute. We demonstrate, theoretically and empirically, the power of this simple generalization.  We first prove a greediness hierarchy theorem showing that for every $k\in \mathbb{N}$, Top-$(k+1)$  can be dramatically more powerful than Top-$k$: there are data distributions for which the former achieves accuracy $1-\epsilon$, whereas the latter only achieves accuracy $\frac{1}{2}+\epsilon$.  We then show, through extensive experiments, that Top-$k$ outperforms the two main approaches to decision tree learning: classic greedy algorithms and more recent ``optimal decision tree'' algorithms.  On one hand, Top-$k$ consistently enjoys significant accuracy gains over greedy algorithms across a wide range of benchmarks.  On the other hand, Top-$k$ is markedly more scalable than optimal decision tree algorithms and is able to handle dataset and feature set sizes that remain far beyond the reach of these algorithms. The code to reproduce our results is available at https://github.com/SullivanC19/pydl8.5-topk.
R-divergence for Estimating Model-oriented Distribution Discrepancy
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Real-life data are often non-IID due to complex distributions and interactions, and the sensitivity to the distribution of samples can differ among learning models. Accordingly, a key question for any supervised or unsupervised model is whether the probability distributions of two given datasets can be considered identical. To address this question, we introduce R-divergence, designed to assess model-oriented distribution discrepancies. The core insight is that two distributions are likely identical if their optimal hypothesis yields the same expected risk for each distribution. To estimate the distribution discrepancy between two datasets, R-divergence learns a minimum hypothesis on the mixed data and then gauges the empirical risk difference between them. We evaluate the test power across various unsupervised and supervised tasks and find that R-divergence achieves state-of-the-art performance. To demonstrate the practicality of R-divergence, we employ R-divergence to train robust neural networks on samples with noisy labels.
Kernel Quadrature with Randomly Pivoted Cholesky
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

This paper presents new quadrature rules for functions in a reproducing kernel Hilbert space using nodes drawn by a sampling algorithm known as randomly pivoted Cholesky. The resulting computational procedure compares favorably to previous kernel quadrature methods, which either achieve low accuracy or require solving a computationally challenging sampling problem. Theoretical and numerical results show that randomly pivoted Cholesky is fast and achieves comparable quadrature error rates to more computationally expensive quadrature schemes based on continuous volume sampling, thinning, and recombination. Randomly pivoted Cholesky is easily adapted to complicated geometries with arbitrary kernels, unlocking new potential for kernel quadrature.
Dynamic Tensor Decomposition via Neural Diffusion-Reaction Processes
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Tensor decomposition is an important tool for multiway data analysis. In practice, the data is often sparse yet associated with rich temporal information. Existing methods, however, often under-use the time information and ignore the structural knowledge within the sparsely observed tensor entries. To overcome these limitations and to better capture the underlying temporal structure, we propose Dynamic EMbedIngs fOr dynamic Tensor dEcomposition (DEMOTE). We develop a neural diffusion-reaction process to estimate dynamic embeddings for the entities in each tensor mode. Specifically, based on the observed tensor entries, we build a multi-partite graph to encode the correlation between the entities. We construct a graph diffusion process to co-evolve the embedding trajectories of the correlated entities and use a neural network to construct a reaction process for each individual entity. In this way, our model can capture both the commonalities and personalities during the evolution of the embeddings for different entities. We then use a neural network to model the entry value as a nonlinear function of the embedding trajectories. For model estimation, we combine ODE solvers to develop a stochastic mini-batch learning algorithm. We propose a stratified sampling method to balance the cost of processing each mini-batch so as to improve the overall efficiency. We show the advantage of our approach in both simulation studies and real-world applications. The code is available at https://github.com/wzhut/Dynamic-Tensor-Decomposition-via-Neural-Diffusion-Reaction-Processes.
Generalizing Importance Weighting to A Universal Solver for Distribution Shift Problems
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Distribution shift (DS) may have two levels: the distribution itself changes, and the support (i.e., the set where the probability density is non-zero) also changes. When considering the support change between the training and test distributions, there can be four cases: (i) they exactly match; (ii) the training support is wider (and thus covers the test support); (iii) the test support is wider; (iv) they partially overlap. Existing methods are good at cases (i) and (ii), while cases (iii) and (iv) are more common nowadays but still under-explored. In this paper, we generalize importance weighting (IW), a golden solver for cases (i) and (ii), to a universal solver for all cases. Specifically, we first investigate why IW might fail in cases (iii) and (iv); based on the findings, we propose generalized IW (GIW) that could handle cases (iii) and (iv) and would reduce to IW in cases (i) and (ii). In GIW, the test support is split into an in-training (IT) part and an out-of-training (OOT) part, and the expected risk is decomposed into a weighted classification term over the IT part and a standard classification term over the OOT part, which guarantees the risk consistency of GIW. Then, the implementation of GIW consists of three components: (a) the split of validation data is carried out by the one-class support vector machine, (b) the first term of the empirical risk can be handled by any IW algorithm given training data and IT validation data, and (c) the second term just involves OOT validation data. Experiments demonstrate that GIW is a universal solver for DS problems, outperforming IW methods in cases (iii) and (iv).Submission Number: 4114
Learning Large-scale Neural Fields via Context Pruned Meta-Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

We introduce an efficient optimization-based meta-learning technique for large-scale neural field training by realizing significant memory savings through automated online context point selection. This is achieved by focusing each learning step on the subset of data with the highest expected immediate improvement in model quality, resulting in the almost instantaneous modeling of global structure and subsequent refinement of high-frequency details. We further improve the quality of our meta-learned initialization by introducing a bootstrap correction resulting in the minimization of any error introduced by reduced context sets while simultaneously mitigating the well-known myopia of optimization-based meta-learning. Finally, we show how gradient re-scaling at meta-test time allows the learning of extremely high-quality neural fields in significantly shortened optimization procedures. Our framework is model-agnostic, intuitive, straightforward to implement, and shows significant reconstruction improvements for a wide range of signals. We provide an extensive empirical evaluation on nine datasets across multiple multiple modalities, demonstrating state-of-the-art results while providing additional insight through careful analysis of the algorithmic components constituting our method. Code is available at https://github.com/jihoontack/GradNCP
Guiding The Last Layer in Federated Learning with Pre-Trained Models
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Federated Learning (FL) is an emerging paradigm that allows a model to be trained across a number of participants without sharing data. Recent works have begun to consider the effects of using pre-trained models as an initialization point for existing FL algorithms; however, these approaches ignore the vast body of efficient transfer learning literature from the centralized learning setting. Here we revisit the problem of FL from a pre-trained model considered in prior work and expand it to a set of computer vision transfer learning problems. We first observe that simply fitting a linear classification head can be efficient in many cases. We then show that in the FL setting, fitting a classifier using the Nearest Class Means (NCM) can be done exactly and  orders of magnitude more efficiently than existing proposals, while obtaining strong performance. Finally, we demonstrate that using a two-stage approach of obtaining the classifier and then fine-tuning the model can yield rapid convergence and improved generalization in the federated setting. We demonstrate the potential our method has to reduce communication and compute costs while achieving better model performance.
Switching Temporary Teachers for Semi-Supervised Semantic Segmentation
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Semi-Supervised Semantic Segmentation

The teacher-student framework, prevalent in semi-supervised semantic segmentation, mainly employs the exponential moving average (EMA) to update a single teacher's weights based on the student's. However, EMA updates raise a problem in that the weights of the teacher and student are getting coupled, causing a potential performance bottleneck. Furthermore, this problem may become more severe when training with more complicated labels such as segmentation masks but with few annotated data. This paper introduces Dual Teacher, a simple yet effective approach that employs dual temporary teachers aiming to alleviate the coupling problem for the student. The temporary teachers work in shifts and are progressively improved, so consistently prevent the teacher and student from becoming excessively close. Specifically, the temporary teachers periodically take turns generating pseudo-labels to train a student model and maintain the distinct characteristics of the student model for each epoch. Consequently, Dual Teacher achieves competitive performance on the PASCAL VOC, Cityscapes, and ADE20K benchmarks with remarkably shorter training times than state-of-the-art methods. Moreover, we demonstrate that our approach is model-agnostic and compatible with both CNN- and Transformer-based models. Code is available at https://github.com/naver-ai/dual-teacher.
Fast and Simple Spectral Clustering in Theory and Practice
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Spectral clustering is a popular and effective algorithm designed to find $k$ clusters in a graph $G$.
In the classical spectral clustering algorithm, the vertices of $G$ are embedded into $\mathbb{R}^k$ using $k$ eigenvectors of the graph Laplacian matrix.
However, computing this embedding is computationally expensive and dominates the running time of the algorithm.
In this paper, we present a simple spectral clustering algorithm based on a vertex embedding with $O(\log(k))$ vectors computed by the power method.
The vertex embedding is computed in nearly-linear time with respect to the size of the graph, and
the algorithm provably recovers the ground truth clusters under natural assumptions on the input graph.
We evaluate the new algorithm on several synthetic and real-world datasets, finding that it is significantly faster than alternative clustering algorithms,
while producing results with approximately the same clustering accuracy.
Structured Neural-PI Control with End-to-End Stability and Output Tracking Guarantees
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

We study the optimal control of multiple-input and multiple-output dynamical systems via the design of neural network-based controllers with  stability and output tracking guarantees. While neural network-based nonlinear controllers have shown superior performance in various applications, their lack of provable guarantees has restricted their adoption in high-stake real-world applications. This paper bridges the gap between neural network-based controllers and the need for stabilization guarantees. Using equilibrium-independent passivity, a property present in a wide range of physical systems, we propose neural Proportional-Integral (PI) controllers that have provable guarantees of stability and zero steady-state output tracking error. The key structure is the strict monotonicity on proportional and integral terms, which is parameterized as gradients of strictly convex neural networks (SCNN). We construct SCNN with tunable softplus-$\beta$ activations, which yields universal approximation capability and is also useful in incorporating communication constraints. In addition, the SCNNs serve as Lyapunov functions, giving us end-to-end performance guarantees.  Experiments on traffic and power networks demonstrate that the proposed approach improves both transient and steady-state performances, while unstructured neural networks lead to unstable behaviors.
Optimization or Architecture: How to Hack Kalman Filtering
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In non-linear filtering, it is traditional to compare non-linear architectures such as neural networks to the standard linear Kalman Filter (KF). We observe that this mixes the evaluation of two separate components: the non-linear architecture, and the parameters optimization method. In particular, the non-linear model is often optimized, whereas the reference KF model is not. We argue that both should be optimized similarly, and to that end present the Optimized KF (OKF). We demonstrate that the KF may become competitive to neural models – if optimized using OKF. This implies that experimental conclusions of certain previous studies were derived from a flawed process. The advantage of OKF over the standard KF is further studied theoretically and empirically, in a variety of problems. Conveniently, OKF can replace the KF in real-world systems by merely updating the parameters.