pwc-archive/papers-with-abstracts huggingface dataset:
Towards detailed and interpretable hybrid modeling of continental-scale bird migration
Authors: Fiona Lippert, Bart Kranstauber, Patrick Forré, E. Emiel van Loon
Date: 2024-07-14 00:00:00
Tasks: Decision Making

Hybrid modeling aims to augment traditional theory-driven models with machine learning components that learn unknown parameters, sub-models or correction terms from data. In this work, we build on FluxRGNN, a recently developed hybrid model of continental-scale bird migration, which combines a movement model inspired by fluid dynamics with recurrent neural networks that capture the complex decision-making processes of birds. While FluxRGNN has been shown to successfully predict key migration patterns, its spatial resolution is constrained by the typically sparse observations obtained from weather radars. Additionally, its trainable components lack explicit incentives to adequately predict take-off and landing events. Both aspects limit our ability to interpret model results ecologically. To address this, we propose two major modifications that allow for more detailed predictions on any desired tessellation while providing control over the interpretability of model components. In experiments on the U.S. weather radar network, the enhanced model effectively leverages the underlying movement model, resulting in strong extrapolation capabilities to unobserved locations.
Parameter Estimation for Generalized Low-Rank Matrix Sensing by Learning on Riemannian Manifolds
Authors: Osbert Bastani
Date: 2024-07-14 00:00:00
Tasks: parameter estimation

We prove convergence guarantees for generalized low-rank matrix sensing -- i.e., where matrix sensing where the observations may be passed through some nonlinear link function. We focus on local convergence of the optimal estimator, ignoring questions of optimization. In particular, assuming the minimizer of the empirical loss $\theta^0$ is in a constant size ball around the true parameters $\theta^*$, we prove that $d(\theta^0,\theta^*)=\tilde{O}(\sqrt{dk^2/n})$. Our analysis relies on tools from Riemannian geometry to handle the rotational symmetry in the parameter space.
Weighted Aggregation of Conformity Scores for Classification
Authors: Rui Luo, Zhixin Zhou
Date: 2024-07-14 00:00:00
Tasks: Classification, Conformal Prediction, Informativeness, Multi-class Classification, Prediction, valid

Conformal prediction is a powerful framework for constructing prediction sets with valid coverage guarantees in multi-class classification. However, existing methods often rely on a single score function, which can limit their efficiency and informativeness. We propose a novel approach that combines multiple score functions to improve the performance of conformal predictors by identifying optimal weights that minimize prediction set size. Our theoretical analysis establishes a connection between the weighted score functions and subgraph classes of functions studied in Vapnik-Chervonenkis theory, providing a rigorous mathematical basis for understanding the effectiveness of the proposed method. Experiments demonstrate that our approach consistently outperforms single-score conformal predictors while maintaining valid coverage, offering a principled and data-driven way to enhance the efficiency and practicality of conformal prediction in classification tasks.
On Large Language Model Continual Unlearning
Authors: Chongyang Gao, Lixu Wang, Kaize Ding, Chenkai Weng, Xiao Wang, Qi Zhu
Date: 2024-07-14 00:00:00
Tasks: Disentanglement, Language Modeling, Language Modelling, Large Language Model, Machine Unlearning, model

While large language models have demonstrated impressive performance across various domains and tasks, their security issues have become increasingly severe. Machine unlearning has emerged as a representative approach for model safety and security by removing the influence of undesired data on the target model. However, these methods do not sufficiently consider that unlearning requests in real-world scenarios are continuously emerging, especially in the context of LLMs, which may lead to accumulated model utility loss that eventually becomes unacceptable. Moreover, existing LLM unlearning methods often ignore previous data access limitations due to privacy concerns and copyright protection. Without previous data, the utility preservation during unlearning is much harder. To overcome these challenges, we propose the OOO framework that includes an Orthogonal low-rank adapter (LoRA) for continually unlearning requested data and an Out-Of-Distribution (OOD) detector to measure the similarity between input and unlearning data. The orthogonal LoRA achieves parameter disentanglement among continual unlearning requests. The OOD detector is trained with a novel contrastive entropy loss and utilizes a glocal-aware scoring mechanism. During inference, our OOO framework can decide whether and to what extent to load the unlearning LoRA based on the OOD detector's predicted similarity between the input and the unlearned knowledge. Notably, OOO's effectiveness does not rely on any retained data. We conducted extensive experiments on OOO and state-of-the-art LLM unlearning methods across three tasks and seven datasets. The results indicate that OOO consistently achieves the best unlearning effectiveness and utility preservation, especially when facing continuous unlearning requests. The source codes can be found at https://github.com/GCYZSL/O3-LLM-UNLEARNING.
Improving Graph Out-of-distribution Generalization on Real-world Data
Authors: Can Xu, Yao Cheng, Jianxiang Yu, Haosen Wang, Jingsong Lv, Xiang Li
Date: 2024-07-14 00:00:00
Tasks: Bayesian Inference, Out-of-Distribution Generalization, Variational Inference

Existing methods for graph out-of-distribution (OOD) generalization primarily rely on empirical studies on synthetic datasets. Such approaches tend to overemphasize the causal relationships between invariant sub-graphs and labels, thereby neglecting the non-negligible role of environment in real-world scenarios. In contrast to previous studies that impose rigid independence assumptions on environments and invariant sub-graphs, this paper presents the theorems of environment-label dependency and mutable rationale invariance, where the former characterizes the usefulness of environments in determining graph labels while the latter refers to the mutable importance of graph rationales. Based on analytic investigations, a novel variational inference based method named ``Probability Dependency on Environments and Rationales for OOD Graphs on Real-world Data'' (DEROG) is introduced. To alleviate the adverse effect of unknown prior knowledge on environments and rationales, DEROG utilizes generalized Bayesian inference. Further, DEROG employs an EM-based algorithm for optimization. Finally, extensive experiments on real-world datasets under different distribution shifts are conducted to show the superiority of DEROG. Our code is publicly available at https://anonymous.4open.science/r/DEROG-536B.
Unexpected Benefits of Self-Modeling in Neural Systems
Authors: Vickram N. Premakumar, Michael Vaiana, Florin Pop, Judd Rosenblatt, Diogo Schwerz de Lucena, Kirsten Ziman, Michael S. A. Graziano
Date: 2024-07-14 00:00:00

Self-models have been a topic of great interest for decades in studies of human cognition and more recently in machine learning. Yet what benefits do self-models confer? Here we show that when artificial networks learn to predict their internal states as an auxiliary task, they change in a fundamental way. To better perform the self-model task, the network learns to make itself simpler, more regularized, more parameter-efficient, and therefore more amenable to being predictively modeled. To test the hypothesis of self-regularizing through self-modeling, we used a range of network architectures performing three classification tasks across two modalities. In all cases, adding self-modeling caused a significant reduction in network complexity. The reduction was observed in two ways. First, the distribution of weights was narrower when self-modeling was present. Second, a measure of network complexity, the real log canonical threshold (RLCT), was smaller when self-modeling was present. Not only were measures of complexity reduced, but the reduction became more pronounced as greater training weight was placed on the auxiliary task of self-modeling. These results strongly support the hypothesis that self-modeling is more than simply a network learning to predict itself. The learning has a restructuring effect, reducing complexity and increasing parameter efficiency. This self-regularization may help explain some of the benefits of self-models reported in recent machine learning literature, as well as the adaptive value of self-models to biological systems. In particular, these findings may shed light on the possible interaction between the ability to model oneself and the ability to be more easily modeled by others in a social or cooperative context.
The Hidden Influence of Latent Feature Magnitude When Learning with Imbalanced Data
Authors: Damien A. Dablain, Nitesh V. Chawla
Date: 2024-07-14 00:00:00
Tasks: Data Augmentation, Prediction

Machine learning (ML) models have difficulty generalizing when the number of training class instances are numerically imbalanced. The problem of generalization in the face of data imbalance has largely been attributed to the lack of training data for under-represented classes and to feature overlap. The typical remedy is to implement data augmentation for classes with fewer instances or to assign a higher cost to minority class prediction errors or to undersample the prevalent class. However, we show that one of the central causes of impaired generalization when learning with imbalanced data is the inherent manner in which ML models perform inference. These models have difficulty generalizing due to their heavy reliance on the magnitude of encoded signals. During inference, the models predict classes based on a combination of encoded signal magnitudes that linearly sum to the largest scalar. We demonstrate that even with aggressive data augmentation, which generally improves minority class prediction accuracy, parametric ML models still associate a class label with a limited number of feature combinations that sum to a prediction, which can affect generalization.
Optimal Kernel Choice for Score Function-based Causal Discovery
Authors: Wenjie Wang, Biwei Huang, Feng Liu, Xinge You, Tongliang Liu, Kun Zhang, Mingming Gong
Date: 2024-07-14 00:00:00
Tasks: Causal Discovery

Score-based methods have demonstrated their effectiveness in discovering causal relationships by scoring different causal structures based on their goodness of fit to the data. Recently, Huang et al. proposed a generalized score function that can handle general data distributions and causal relationships by modeling the relations in reproducing kernel Hilbert space (RKHS). The selection of an appropriate kernel within this score function is crucial for accurately characterizing causal relationships and ensuring precise causal discovery. However, the current method involves manual heuristic selection of kernel parameters, making the process tedious and less likely to ensure optimality. In this paper, we propose a kernel selection method within the generalized score function that automatically selects the optimal kernel that best fits the data. Specifically, we model the generative process of the variables involved in each step of the causal graph search procedure as a mixture of independent noise variables. Based on this model, we derive an automatic kernel selection method by maximizing the marginal likelihood of the variables involved in each search step. We conduct experiments on both synthetic data and real-world benchmarks, and the results demonstrate that our proposed method outperforms heuristic kernel selection methods.
Ensemble Deep Random Vector Functional Link Neural Network Based on Fuzzy Inference System
Authors: M. Sajid, M. Tanveer, P. N. Suganthan
Date: 2024-06-02 00:00:00

The ensemble deep random vector functional link (edRVFL) neural network has demonstrated the ability to address the limitations of conventional artificial neural networks. However, since edRVFL generates features for its hidden layers through random projection, it can potentially lose intricate features or fail to capture certain non-linear features in its base models (hidden layers). To enhance the feature learning capabilities of edRVFL, we propose a novel edRVFL based on fuzzy inference system (edRVFL-FIS). The proposed edRVFL-FIS leverages the capabilities of two emerging domains, namely deep learning and ensemble approaches, with the intrinsic IF-THEN properties of fuzzy inference system (FIS) and produces rich feature representation to train the ensemble model. Each base model of the proposed edRVFL-FIS encompasses two key feature augmentation components: a) unsupervised fuzzy layer features and b) supervised defuzzified features. The edRVFL-FIS model incorporates diverse clustering methods (R-means, K-means, Fuzzy C-means) to establish fuzzy layer rules, resulting in three model variations (edRVFL-FIS-R, edRVFL-FIS-K, edRVFL-FIS-C) with distinct fuzzified features and defuzzified features. Within the framework of edRVFL-FIS, each base model utilizes the original, hidden layer and defuzzified features to make predictions. Experimental results, statistical tests, discussions and analyses conducted across UCI and NDC datasets consistently demonstrate the superior performance of all variations of the proposed edRVFL-FIS model over baseline models. The source codes of the proposed models are available at https://github.com/mtanveer1/edRVFL-FIS.
Have ASkotch: A Neat Solution for Large-scale Kernel Ridge Regression
Authors: Pratik Rathore, Zachary Frangella, Jiaming Yang, Michał Dereziński, Madeleine Udell
Date: 2024-07-14 00:00:00
Tasks: Computational chemistry, Point Processes, regression

Kernel ridge regression (KRR) is a fundamental computational tool, appearing in problems that range from computational chemistry to health analytics, with a particular interest due to its starring role in Gaussian process regression. However, full KRR solvers are challenging to scale to large datasets: both direct (i.e., Cholesky decomposition) and iterative methods (i.e., PCG) incur prohibitive computational and storage costs. The standard approach to scale KRR to large datasets chooses a set of inducing points and solves an approximate version of the problem, inducing points KRR. However, the resulting solution tends to have worse predictive performance than the full KRR solution. In this work, we introduce a new solver, ASkotch, for full KRR that provides better solutions faster than state-of-the-art solvers for full and inducing points KRR. ASkotch is a scalable, accelerated, iterative method for full KRR that provably obtains linear convergence. Under appropriate conditions, we show that ASkotch obtains condition-number-free linear convergence. This convergence analysis rests on the theory of ridge leverage scores and determinantal point processes. ASkotch outperforms state-of-the-art KRR solvers on a testbed of 23 large-scale KRR regression and classification tasks derived from a wide range of application domains, demonstrating the superiority of full KRR over inducing points KRR. Our work opens up the possibility of as-yet-unimagined applications of full KRR across a number of disciplines.
MKDTI: Predicting drug-target interactions via multiple kernel fusion on graph attention network
Authors: Yuhuan Zhou, Yulin Wu, Weiwei Yuan, Xuan Wang, Junyi Li
Date: 2024-07-14 00:00:00
Tasks: Graph Attention

Drug-target relationships may now be predicted computationally using bioinformatics data, which is a valuable tool for understanding pharmacological effects, enhancing drug development efficiency, and advancing related research. A number of structure-based, ligand-based and network-based approaches have now emerged. Furthermore, the integration of graph attention networks with intricate drug target studies is an application area of growing interest. In our work, we formulate a model called MKDTI by extracting kernel information from various layer embeddings of a graph attention network. This combination improves the prediction ability with respect to novel drug-target relationships. We first build a drug-target heterogeneous network using heterogeneous data of drugs and targets, and then use a self-enhanced multi-head graph attention network to extract potential features in each layer. Next, we utilize embeddings of each layer to computationally extract kernel matrices and fuse multiple kernel matrices. Finally, we use a Dual Laplacian Regularized Least Squares framework to forecast novel drug-target entity connections. This prediction can be facilitated by integrating the kernel matrix associated with the drug-target. We measured our model's efficacy using AUPR and AUC. Compared to the benchmark algorithms, our model outperforms them in the prediction outcomes. In addition, we conducted an experiment on kernel selection. The results show that the multi-kernel fusion approach combined with the kernel matrix generated by the graph attention network provides complementary insights into the model. The fusion of this information helps to enhance the accuracy of the predictions.
Harnessing Feature Clustering For Enhanced Anomaly Detection With Variational Autoencoder And Dynamic Threshold
Authors: Tolulope Ale, Nicole-Jeanne Schlegel, Vandana P. Janeja
Date: 2024-07-14 00:00:00
Tasks: Anomaly Detection, Clustering, Time Series

We introduce an anomaly detection method for multivariate time series data with the aim of identifying critical periods and features influencing extreme climate events like snowmelt in the Arctic. This method leverages the Variational Autoencoder (VAE) integrated with dynamic thresholding and correlation-based feature clustering. This framework enhances the VAE's ability to identify localized dependencies and learn the temporal relationships in climate data, thereby improving the detection of anomalies as demonstrated by its higher F1-score on benchmark datasets. The study's main contributions include the development of a robust anomaly detection method, improving feature representation within VAEs through clustering, and creating a dynamic threshold algorithm for localized anomaly detection. This method offers explainability of climate anomalies across different regions.
LeanQuant: Accurate Large Language Model Quantization with Loss-Error-Aware Grid
Authors: Tianyi Zhang, Anshumali Shrivastava
Date: 2024-07-14 00:00:00
Tasks: GPU, Language Modeling, Language Modelling, Large Language Model, Quantization

Large language models (LLMs) have numerous applications across various domains, but their high computational and memory demands pose significant deployment challenges. Weight quantization is an effective technique for reducing the decoding latency and memory requirements of LLMs. Existing approaches primarily aim to maintain the quality of quantized models by preserving outliers in input features, but they still suffer significant quality loss at lower bit widths. Our approach builds on Optimal Brain Quantization (OBQ), an iterative weight-update-based quantization framework. We identify a key limitation of OBQ, specifically that its uniform quantization grid is suboptimal for maintaining model quality, as it introduces large errors to the task loss. To address this, we propose LeanQuant, which learns a loss-error-aware quantization grid by leveraging the inverse diagonal Hessian. Extensive empirical evaluations demonstrate that LeanQuant is both efficient and accurate; it can quantize a 70-billion-parameter model in 6 hours using a single 32GB GPU and performs favorably compared to competitive baselines in the 4-bit, 3-bit, and 2-bit regions.
A Dynamic Algorithm for Weighted Submodular Cover Problem
Authors: Kiarash Banihashem, Samira Goudarzi, Mohammadtaghi Hajiaghayi, Peyman Jabbarzade, Morteza Monemizadeh
Date: 2024-07-13 00:00:00

We initiate the study of the submodular cover problem in dynamic setting where the elements of the ground set are inserted and deleted. In the classical submodular cover problem, we are given a monotone submodular function $f : 2^{V} \to \mathbb{R}^{\ge 0}$ and the goal is to obtain a set $S \subseteq V$ that minimizes the cost subject to the constraint $f(S) = f(V)$. This is a classical problem in computer science and generalizes the Set Cover problem, 2-Set Cover, and dominating set problem among others. We consider this problem in a dynamic setting where there are updates to our set $V$, in the form of insertions and deletions of elements from a ground set $\mathcal{V}$, and the goal is to maintain an approximately optimal solution with low query complexity per update. For this problem, we propose a randomized algorithm that, in expectation, obtains a $(1-O(\epsilon), O(\epsilon^{-1}))$-bicriteria approximation using polylogarithmic query complexity per update.
On Characterizing and Mitigating Imbalances in Multi-Instance Partial Label Learning
Authors: Kaifu Wang, Efthymia Tsamoura, Dan Roth
Date: 2024-07-13 00:00:00
Tasks: Long-tail Learning, Partial Label Learning, Weakly-supervised Learning

*Multi-Instance Partial Label Learning* (MI-PLL) is a weakly-supervised learning setting encompassing *partial label learning*, *latent structural learning*, and *neurosymbolic learning*. Unlike supervised learning, in MI-PLL, the inputs to the classifiers at training-time are tuples of instances $\mathbf{x}$. At the same time, the supervision signal is generated by a function $\sigma$ over the (hidden) gold labels of $\mathbf{x}$. In this work, we make multiple contributions towards addressing a problem that hasn't been studied so far in the context of MI-PLL: that of characterizing and mitigating *learning imbalances*, i.e., major differences in the errors occurring when classifying instances of different classes (aka *class-specific risks*). In terms of theory, we derive class-specific risk bounds for MI-PLL, while making minimal assumptions. Our theory reveals a unique phenomenon: that $\sigma$ can greatly impact learning imbalances. This result is in sharp contrast with previous research on supervised and weakly-supervised learning, which only studies learning imbalances under the prism of data imbalances. On the practical side, we introduce a technique for estimating the marginal of the hidden labels using only MI-PLL data. Then, we introduce algorithms that mitigate imbalances at training- and testing-time, by treating the marginal of the hidden labels as a constraint. We demonstrate the effectiveness of our techniques using strong baselines from neurosymbolic and long-tail learning, suggesting performance improvements of up to 14\%.