pwc-archive/papers-with-abstracts huggingface dataset:
Scale-teaching: Robust Multi-scale Training for Time Series Classification with Noisy Labels
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Deep Neural Networks (DNNs) have been criticized because they easily overfit noisy (incorrect) labels. To improve the robustness of DNNs, existing methods for image data regard samples with small training losses as correctly labeled data (small-loss criterion). Nevertheless, time series' discriminative patterns are easily distorted by external noises (i.e., frequency perturbations) during the recording process. This results in training losses of some time series samples that do not meet the small-loss criterion. Therefore, this paper proposes a deep learning paradigm called Scale-teaching to cope with time series noisy labels. Specifically, we design a fine-to-coarse cross-scale fusion mechanism for learning discriminative patterns by utilizing time series at different scales to train multiple DNNs simultaneously. Meanwhile, each network is trained in a cross-teaching manner by using complementary information from different scales to select small-loss samples as clean labels. For unselected large-loss samples, we introduce multi-scale embedding graph learning via label propagation to correct their labels by using selected clean samples. Experiments on multiple benchmark time series datasets demonstrate the superiority of the proposed Scale-teaching paradigm over state-of-the-art methods in terms of effectiveness and robustness.
Pairwise Causality Guided Transformers for Event Sequences
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Although pairwise causal relations have been extensively studied in observational longitudinal analyses across many disciplines, incorporating knowledge of causal pairs into deep learning models for temporal event sequences remains largely unexplored. In this paper, we propose a novel approach for enhancing the performance of transformer-based models in multivariate event sequences by injecting pairwise qualitative causal knowledge such as `event Z amplifies future occurrences of event Y'. We establish a new framework for causal inference in temporal event sequences using a transformer architecture, providing a theoretical justification for our approach, and show how to obtain unbiased estimates of the proposed measure. Experimental results demonstrate that our approach outperforms several state-of-the-art models in terms of prediction accuracy by effectively leveraging knowledge about causal pairs. 
We also consider a unique application where we extract knowledge around sequences of societal events by generating them from a large language model, and demonstrate how a causal knowledge graph can help with event prediction in such sequences. 
Overall, our framework offers a practical means of improving the performance of transformer-based models in multivariate event sequences by explicitly exploiting pairwise causal information.
Change point detection and inference in multivariate non-parametric models under mixing conditions
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

This paper addresses the problem of localizing and inferring multiple change points, in non-parametric multivariate time series settings. Specifically, we consider a multivariate time series with potentially short-range dependence, whose underlying distributions have Hölder smooth densities and can change over time in a piecewise-constant manner. The change points, which correspond to the times when the distribution changes, are unknown.
 We present the limiting distributions of the change point estimators under the scenarios where the minimal jump size vanishes or remains constant.  Such results have not been revealed in the literature in non-parametric change point settings. As byproducts, we develop a sharp estimator that can accurately localize the change points in multivariate non-parametric time series, and a consistent block-type long-run variance estimator.  Numerical studies are provided to complement our theoretical findings.Submission Number: 8196
What Makes Data Suitable for a Locally Connected Neural Network? A Necessary and Sufficient Condition Based on Quantum Entanglement.
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

The question of what makes a data distribution suitable for deep learning is a fundamental open problem. Focusing on locally connected neural networks (a prevalent family of architectures that includes convolutional and recurrent neural networks as well as local self-attention models), we address this problem by adopting theoretical tools from quantum physics. Our main theoretical result states that a certain locally connected neural network is capable of accurate prediction over a data distribution if and only if the data distribution admits low quantum entanglement under certain canonical partitions of features. As a practical application of this result, we derive a preprocessing method for enhancing the suitability of a data distribution to locally connected neural networks. Experiments with widespread models over various datasets demonstrate our findings. We hope that our use of quantum entanglement will encourage further adoption of tools from physics for formally reasoning about the relation between deep learning and real-world data.
Mean-field Langevin dynamics: Time-space discretization, stochastic gradient, and variance reduction
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

The mean-field Langevin dynamics (MFLD) is a nonlinear generalization of the Langevin dynamics that incorporates a distribution-dependent drift, and it naturally arises from the optimization of two-layer neural networks via (noisy) gradient descent. Recent works have shown that MFLD globally minimizes an entropy-regularized convex functional in the space of measures. However, all prior analyses assumed the infinite-particle or continuous-time limit, and cannot handle stochastic gradient updates. We provide a general framework to prove a uniform-in-time propagation of chaos for MFLD that takes into account the errors due to finite-particle approximation, time-discretization, and stochastic gradient. To demonstrate the wide applicability of our framework, we establish quantitative convergence rate guarantees to the regularized global optimal solution for $(i)$ a wide range of learning problems such as mean-field neural network and MMD minimization, and $(ii)$ different gradient estimators including SGD and SVRG. Despite the generality of our results, we achieve an improved convergence rate in both the SGD and SVRG settings when specialized to the standard Langevin dynamics.Submission Number: 11801
Learning threshold neurons via edge of stability
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Existing analyses of neural network training often operate under the unrealistic assumption of an extremely small learning rate. This lies in stark contrast to practical wisdom and empirical studies, such as the work of J. Cohen et al. (ICLR 2021), which exhibit startling new phenomena (the "edge of stability"' or "unstable convergence") and potential benefits for generalization in the large learning rate regime. Despite a flurry of recent works on this topic, however, the latter effect is still poorly understood. In this paper, we take a step towards understanding genuinely non-convex training dynamics with large learning rates by performing a detailed analysis of gradient descent for simplified models of two-layer neural networks. For these models, we provably establish the edge of stability phenomenon and discover a sharp phase transition for the step size below which the neural network fails to learn ``threshold-like'' neurons (i.e., neurons with a non-zero first-layer bias). This elucidates one possible mechanism by which the edge of stability can in fact lead to better generalization, as threshold neurons are basic building blocks with useful inductive bias for many tasks.
Causal discovery from observational and interventional data across multiple environments
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

A fundamental problem in many sciences is the learning of causal structure underlying a system, typically through observation and experimentation. Commonly, one even collects data across multiple domains, such as gene sequencing from different labs, or neural recordings from different species. Although there exist methods for learning the equivalence class of causal diagrams from observational and experimental data, they are meant to operate in a single domain. In this paper, we develop a fundamental approach to structure learning in non-Markovian systems (i.e. when there exist latent confounders) leveraging observational and interventional data collected from multiple domains. Specifically, we start by showing that learning from observational data in multiple domains is equivalent to learning from interventional data with unknown targets in a single domain. But there are also subtleties when considering observational and experimental data. Using causal invariances derived from do-calculus, we define a property called S-Markov that connects interventional distributions from multiple-domains to graphical criteria on a selection diagram. Leveraging the S-Markov property, we introduce a new constraint-based causal discovery algorithm, S-FCI, that can learn from observational and interventional data from different domains. We prove that the algorithm is sound and subsumes existing constraint-based causal discovery algorithms.Submission Number: 3815
Loss Decoupling for Task-Agnostic Continual Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Continual learning requires the model to learn multiple tasks in a sequential order. To perform continual learning, the model must possess the abilities to maintain performance on old tasks (stability) and adapt itself to learn new tasks (plasticity). Task-agnostic problem in continual learning is a challenging problem, in which task identities are not available in the inference stage and hence the model must learn to distinguish all the classes in all the tasks. In task-agnostic problem, the model needs to learn two new objectives for learning a new task, including distinguishing new classes from old classes and distinguishing between different new classes. For task-agnostic problem, replay-based methods are commonly used. These methods update the model with both saved old samples and new samples for continual learning. Most existing replay-based methods mix the two objectives in task-agnostic problem together, inhibiting the models from achieving a good trade-off between stability and plasticity. In this paper, we propose a simple yet effective method, called loss decoupling (LODE), for task-agnostic continual learning. LODE separates the two objectives for the new task by decoupling the loss of the new task. As a result, LODE can assign different weights for different objectives, which provides a way to obtain a better trade-off between stability and plasticity than those methods with coupled loss. Experiments show that LODE can outperform existing state-of-the-art replay-based methods on multiple continual learning datasets.Submission Number: 9452
Inner Product-based Neural Network Similarity
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Analyzing representational similarity among neural networks (NNs) is essential for interpreting or transferring deep models. In application scenarios where numerous NN models are learned, it becomes crucial to assess model similarities in computationally efficient ways. In this paper, we propose a new paradigm for reducing NN representational similarity to filter subspace distance. Specifically, when convolutional filters are decomposed as a linear combination of a set of filter subspace elements, denoted as filter atoms, and have those decomposed atom coefficients shared across networks, NN representational similarity can be significantly simplified as calculating the cosine distance among respective filter atoms, to achieve millions of times computation reduction over popular probing-based methods. We provide both theoretical and empirical evidence that such simplified filter subspace-based similarity preserves a strong linear correlation with other popular probing-based metrics, while being significantly more efficient to obtain and robust to probing data. We further validate the effectiveness of the proposed method in various application scenarios where numerous models exist, such as federated and continual learning as well as analyzing training dynamics. We hope our findings can help further explorations of real-time large-scale representational similarity analysis in neural networks.
Flow: Per-instance Personalized Federated Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Federated learning (FL) suffers from data heterogeneity, where the diverse data distributions across clients make it challenging to train a single global model effectively. Existing personalization approaches aim to address the data heterogeneity issue by creating a personalized model for each client from the global model that fits their local data distribution. However, these personalized models may achieve lower accuracy than the global model in some clients, resulting in limited performance improvement compared to that without personalization. To overcome this limitation, we propose a per-instance personalization FL algorithm Flow. Flow creates dynamic personalized models that are adaptive not only to each client’s data distributions but also to each client’s data instances. The personalized model allows each instance to dynamically determine whether it prefers the local parameters or its global counterpart to make correct predictions, thereby improving clients’
accuracy. We provide theoretical analysis on the convergence of Flow and empirically demonstrate the superiority of Flow in improving clients’ accuracy compared to state-of-the-art personalization approaches on both vision and language-based tasks.
Diffusion Representation for Asymmetric Kernels via Magnetic Transform
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

As a nonlinear dimension reduction technique, the diffusion map (DM) has been widely used. 
In DM, kernels play an important role for capturing the nonlinear relationship of data. However, only symmetric kernels can be used now, which prevents the use of DM in directed graphs, trophic networks, and other real-world scenarios where the intrinsic and extrinsic geometries in data are asymmetric. A promising technique is the magnetic transform which  converts an asymmetric matrix to a Hermitian one. However, we are facing essential problems, including how diffusion distance could be preserved and how divergence could be avoided during diffusion process. Via theoretical proof, we successfully establish a diffusion representation framework with the magnetic transform, named MagDM. The effectiveness and robustness for dealing data endowed with asymmetric proximity are demonstrated on three synthetic datasets and two trophic networks.
Active Bipartite Ranking
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

In this paper, we develop an active learning framework for the bipartite ranking problem.
Motivated by numerous applications, ranging from supervised anomaly detection to credit-scoring through the design of medical diagnosis support systems, and usually formulated as the problem of optimizing (a scalar summary of) the ROC curve, bipartite ranking has been the subject of much attention in the passive context. Various dedicated algorithms have been recently proposed and studied by the machine-learning community. In contrast, active bipartite ranking rule is poorly documented in the literature. Due to its global nature, a strategy for labeling sequentially data points that are difficult to rank w.r.t. to the others is required. This learning task is much more complex than binary classification, for which many active algorithms have been designed. It is the goal of this article to provide a rigorous formulation of such a selective sampling approach. We propose a dedicated algorithm, referred to as active-rank, which aims to minimise the distance between the ROC curve of the ranking function built and the optimal one, w.r.t. the sup norm. We show that, for a fixed confidence level $\epsilon$ and probability $\delta$,  active-rank is PAC$(\epsilon,\delta)$. In addition, we provide a problem dependent upper bound on the expected sampling time of  active-rank and also demonstrate a problem dependent lower bound on the expected sampling time of any PAC$(\epsilon,\delta)$ algorithm. Beyond the theoretical analysis carried out, numerical results are presented, providing strong empirical evidence of the performance of the algorithm proposed, which compares favorably with more naive approaches.
Balancing Risk and Reward: A Batched-Bandit Strategy for Automated Phased Release
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Phased releases are a common strategy in the technology industry for gradually releasing new products or updates through a sequence of A/B tests in which the number of treated units gradually grows until full deployment or deprecation. Performing phased releases in a principled way requires selecting the proportion of units assigned to the new release in a way that balances the risk of an adverse effect with the need to iterate and learn from the experiment rapidly. In this paper, we formalize this problem and propose an algorithm that automatically determines the release percentage at each stage in the schedule, balancing the need to control risk while maximizing ramp-up speed. Our framework models the challenge as a constrained batched bandit problem that ensures that our pre-specified experimental budget is not depleted with high probability. Our proposed algorithm leverages an adaptive Bayesian approach in which the maximal number of units assigned to the treatment is determined by the posterior distribution, ensuring that the probability of depleting the remaining budget is low. Notably, our approach analytically solves the ramp sizes by inverting probability bounds, eliminating the need for challenging rare-event Monte Carlo simulation. It only requires computing means and variances of outcome subsets, making it highly efficient and parallelizable.
GUST: Combinatorial Generalization by Unsupervised Grouping with Neuronal Coherence
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Dynamically grouping sensory information into structured entities is essential for understanding the world of combinatorial nature. However, the grouping ability and therefore combinatorial generalization are still challenging artificial neural networks. Inspired by the evidence that successful grouping is indicated by neuronal coherence in the human brain, we introduce GUST (Grouping Unsupervisely by Spike Timing network), an iterative network architecture with biological constraints to bias the network towards a dynamical state of neuronal coherence that softly reflects the grouping information in the temporal structure of its spiking activity. We evaluate and analyze the model on synthetic datasets. Interestingly, the segregation ability is directly learned from superimposed stimuli with a succinct unsupervised objective. Two learning stages are present, from coarsely perceiving global features to additionally capturing local features. Further, the learned symbol-like building blocks can be systematically composed to represent novel scenes in a bio-plausible manner.
SaVeNet: A Scalable Vector Network for Enhanced Molecular Representation Learning
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Geometric representation learning of molecules is challenging yet essential for applications in multiple domains. Despite the impressive breakthroughs made by geometric deep learning in various molecular representation learning tasks, effectively capturing complicated geometric features across spatial dimensions is still underexplored due to the significant difficulties in modeling efficient geometric representations and learning the inherent correlation in 3D structural modeling. These include computational inefficiency, underutilization of vectorial embeddings, and limited generalizability to integrate various geometric properties. To address the raised concerns, we introduce an efficient and effective framework, Scalable Vector Network (SaVeNet), designed to accommodate a range of geometric requirements without depending on costly embeddings. In addition, the proposed framework scales effectively with introduced direction noise. Theoretically, we analyze the desired properties (i.e., invariance and equivariant) and framework efficiency of the SaVeNet. Empirically, we conduct a comprehensive series of experiments to evaluate the efficiency and expressiveness of the proposed model. Our efficiency-focused experiments underscore the model's empirical superiority over existing methods. Experimental results on synthetic and real-world datasets demonstrate the expressiveness of our model, which achieves state-of-the-art performance across various tasks within molecular representation learning.Submission Number: 14469
Noether Embedding: Efficient Learning of Temporal Regularities
Date: 2023-09-21 00:00:00
Proceeding: NeurIPS 2023 11

Learning to detect and encode temporal regularities (TRs) in events is a prerequisite for human-like intelligence. These regularities should be formed from limited event samples and stored as easily retrievable representations. Existing event embeddings, however, cannot effectively decode TR validity with well-trained vectors, let alone satisfy the efficiency requirements. We develop Noether Embedding (NE) as the first efficient TR learner with event embeddings. Specifically, NE possesses the intrinsic time-translation symmetries of TRs indicated as conserved local energies in the embedding space. This structural bias reduces the calculation of each TR validity to embedding each event sample, enabling NE to achieve data-efficient TR formation insensitive to sample size and time-efficient TR retrieval in constant time complexity. To comprehensively evaluate the TR learning capability of embedding models, we define complementary tasks of TR detection and TR query, formulate their evaluation metrics, and assess embeddings on classic ICEWS14, ICEWS18, and GDELT datasets. Our experiments demonstrate that NE consistently achieves about double the F1 scores for detecting valid TRs compared to classic embeddings, and it provides over ten times higher confidence scores for querying TR intervals. Additionally, we showcase NE's potential applications in social event prediction, personal decision-making, and memory-constrained scenarios.Submission Number: 7412