pwc-archive/papers-with-abstracts huggingface dataset:
The N-Grammys: Accelerating Autoregressive Inference with Learning-Free Batched Speculation
Authors: Lawrence Stewart, Matthew Trager, Sujan Kumar Gonugondla, Stefano Soatto
Date: 2024-11-06 00:00:00
Tasks: Language Modeling, Language Modelling

Speculative decoding aims to speed up autoregressive generation of a language model by verifying in parallel the tokens generated by a smaller draft model.In this work, we explore the effectiveness of learning-free, negligible-cost draft strategies, namely $N$-grams obtained from the model weights and the context. While the predicted next token of the base model is rarely the top prediction of these simple strategies, we observe that it is often within their top-$k$ predictions for small $k$. Based on this, we show that combinations of simple strategies can achieve significant inference speedups over different tasks. The overall performance is comparable to more complex methods, yet does not require expensive preprocessing or modification of the base model, and allows for seamless `plug-and-play' integration into pipelines.
A Bayesian Approach to Data Point Selection
Authors: Xinnuo Xu, Minyoung Kim, Royson Lee, Brais Martinez, Timothy Hospedales
Date: 2024-11-06 00:00:00

Data point selection (DPS) is becoming a critical topic in deep learning due to the ease of acquiring uncurated training data compared to the difficulty of obtaining curated or processed data. Existing approaches to DPS are predominantly based on a bi-level optimisation (BLO) formulation, which is demanding in terms of memory and computation, and exhibits some theoretical defects regarding minibatches. Thus, we propose a novel Bayesian approach to DPS. We view the DPS problem as posterior inference in a novel Bayesian model where the posterior distributions of the instance-wise weights and the main neural network parameters are inferred under a reasonable prior and likelihood model. We employ stochastic gradient Langevin MCMC sampling to learn the main network and instance-wise weights jointly, ensuring convergence even with minibatches. Our update equation is comparable to the widely used SGD and much more efficient than existing BLO-based methods. Through controlled experiments in both the vision and language domains, we present the proof-of-concept. Additionally, we demonstrate that our method scales effectively to large language models and facilitates automated per-task optimization for instruction fine-tuning datasets.
Variational Inference on the Boolean Hypercube with the Quantum Entropy
Authors: Eliot Beyler, Francis Bach
Date: 2024-11-06 00:00:00
Tasks: Variational Inference

In this paper, we derive variational inference upper-bounds on the log-partition function of pairwise Markov random fields on the Boolean hypercube, based on quantum relaxations of the Kullback-Leibler divergence. We then propose an efficient algorithm to compute these bounds based on primal-dual optimization. An improvement of these bounds through the use of ''hierarchies,'' similar to sum-of-squares (SoS) hierarchies is proposed, and we present a greedy algorithm to select among these relaxations. We carry extensive numerical experiments and compare with state-of-the-art methods for this inference problem.
Symbolic regression via MDLformer-guided search: from minimizing prediction error to minimizing description length
Authors: Zihan Yu, Jingtao Ding, Yong Li
Date: 2024-11-06 00:00:00
Tasks: regression, Symbolic Regression

Symbolic regression, a task discovering the formula best fitting the given data, is typically based on the heuristical search. These methods usually update candidate formulas to obtain new ones with lower prediction errors iteratively. However, since formulas with similar function shapes may have completely different symbolic forms, the prediction error does not decrease monotonously as the search approaches the target formula, causing the low recovery rate of existing methods. To solve this problem, we propose a novel search objective based on the minimum description length, which reflects the distance from the target and decreases monotonically as the search approaches the correct form of the target formula. To estimate the minimum description length of any input data, we design a neural network, MDLformer, which enables robust and scalable estimation through large-scale training. With the MDLformer's output as the search objective, we implement a symbolic regression method, SR4MDL, that can effectively recover the correct mathematical form of the formula. Extensive experiments illustrate its excellent performance in recovering formulas from data. Our method successfully recovers around 50 formulas across two benchmark datasets comprising 133 problems, outperforming state-of-the-art methods by 43.92%.
Graph Neural Networks with Coarse- and Fine-Grained Division for Mitigating Label Sparsity and Noise
Authors: Shuangjie Li, Baoming Zhang, Jianqing Song, Gaoli Ruan, Chongjun Wang, Junyuan Xie
Date: 2024-11-06 00:00:00
Tasks: Graph Reconstruction, Node Classification

Graph Neural Networks (GNNs) have gained considerable prominence in semi-supervised learning tasks in processing graph-structured data, primarily owing to their message-passing mechanism, which largely relies on the availability of clean labels. However, in real-world scenarios, labels on nodes of graphs are inevitably noisy and sparsely labeled, significantly degrading the performance of GNNs. Exploring robust GNNs for semi-supervised node classification in the presence of noisy and sparse labels remains a critical challenge. Therefore, we propose a novel \textbf{G}raph \textbf{N}eural \textbf{N}etwork with \textbf{C}oarse- and \textbf{F}ine-\textbf{G}rained \textbf{D}ivision for mitigating label sparsity and noise, namely GNN-CFGD. The key idea of GNN-CFGD is reducing the negative impact of noisy labels via coarse- and fine-grained division, along with graph reconstruction. Specifically, we first investigate the effectiveness of linking unlabeled nodes to cleanly labeled nodes, demonstrating that this approach is more effective in combating labeling noise than linking to potentially noisy labeled nodes. Based on this observation, we introduce a Gaussian Mixture Model (GMM) based on the memory effect to perform a coarse-grained division of the given labels into clean and noisy labels. Next, we propose a clean labels oriented link that connects unlabeled nodes to cleanly labeled nodes, aimed at mitigating label sparsity and promoting supervision propagation. Furthermore, to provide refined supervision for noisy labeled nodes and additional supervision for unlabeled nodes, we fine-grain the noisy labeled and unlabeled nodes into two candidate sets based on confidence, respectively. Extensive experiments on various datasets demonstrate the superior effectiveness and robustness of GNN-CFGD.
Human-in-the-Loop Feature Selection Using Interpretable Kolmogorov-Arnold Network-based Double Deep Q-Network
Authors: Md Abrar Jahin, M. F. Mridha, Nilanjan Dey
Date: 2024-11-06 00:00:00
Tasks: feature selection

Feature selection is critical for improving the performance and interpretability of machine learning models, particularly in high-dimensional spaces where complex feature interactions can reduce accuracy and increase computational demands. Existing approaches often rely on static feature subsets or manual intervention, limiting adaptability and scalability. However, dynamic, per-instance feature selection methods and model-specific interpretability in reinforcement learning remain underexplored. This study proposes a human-in-the-loop (HITL) feature selection framework integrated into a Double Deep Q-Network (DDQN) using a Kolmogorov-Arnold Network (KAN). Our novel approach leverages simulated human feedback and stochastic distribution-based sampling, specifically Beta, to iteratively refine feature subsets per data instance, improving flexibility in feature selection. The KAN-DDQN achieved notable test accuracies of 93% on MNIST and 83% on FashionMNIST, outperforming conventional MLP-DDQN models by up to 9%. The KAN-based model provided high interpretability via symbolic representation while using 4 times fewer neurons in the hidden layer than MLPs did. Comparatively, the models without feature selection achieved test accuracies of only 58% on MNIST and 64% on FashionMNIST, highlighting significant gains with our framework. Pruning and visualization further enhanced model transparency by elucidating decision pathways. These findings present a scalable, interpretable solution for feature selection that is suitable for applications requiring real-time, adaptive decision-making with minimal human oversight.
Reducing Hyperparameter Tuning Costs in ML, Vision and Language Model Training Pipelines via Memoization-Awareness
Authors: Abdelmajid Essofi, Ridwan Salahuddeen, Munachiso Nwadike, Elnura Zhalieva, Kun Zhang, Eric Xing, Willie Neiswanger, Qirong Ho
Date: 2024-11-06 00:00:00
Tasks: Bayesian Optimization, GPU, Language Modeling, Language Modelling

The training or fine-tuning of machine learning, vision, and language models is often implemented as a pipeline: a sequence of stages encompassing data preparation, model training and evaluation. In this paper, we exploit pipeline structures to reduce the cost of hyperparameter tuning for model training/fine-tuning, which is particularly valuable for language models given their high costs in GPU-days. We propose a "memoization-aware" Bayesian Optimization (BO) algorithm, EEIPU, that works in tandem with a pipeline caching system, allowing it to evaluate significantly more hyperparameter candidates per GPU-day than other tuning algorithms. The result is better-quality hyperparameters in the same amount of search time, or equivalently, reduced search time to reach the same hyperparameter quality. In our benchmarks on machine learning (model ensembles), vision (convolutional architecture) and language (T5 architecture) pipelines, we compare EEIPU against recent BO algorithms: EEIPU produces an average of $103\%$ more hyperparameter candidates (within the same budget), and increases the validation metric by an average of $108\%$ more than other algorithms (where the increase is measured starting from the end of warm-up iterations).
Generalized Trusted Multi-view Classification Framework with Hierarchical Opinion Aggregation
Authors: Long Shi, Chuanqing Tang, Huangyi Deng, Cai Xu, Lei Xing, Badong Chen
Date: 2024-11-06 00:00:00
Tasks: MULTI-VIEW LEARNING

Recently, multi-view learning has witnessed a considerable interest on the research of trusted decision-making. Previous methods are mainly inspired from an important paper published by Han et al. in 2021, which formulates a Trusted Multi-view Classification (TMC) framework that aggregates evidence from different views based on Dempster's combination rule. All these methods only consider inter-view aggregation, yet lacking exploitation of intra-view information. In this paper, we propose a generalized trusted multi-view classification framework with hierarchical opinion aggregation. This hierarchical framework includes a two-phase aggregation process: the intra-view and inter-view aggregation hierarchies. In the intra aggregation, we assume that each view is comprised of common information shared with other views, as well as its specific information. We then aggregate both the common and specific information. This aggregation phase is useful to eliminate the feature noise inherent to view itself, thereby improving the view quality. In the inter-view aggregation, we design an attention mechanism at the evidence level to facilitate opinion aggregation from different views. To the best of our knowledge, this is one of the pioneering efforts to formulate a hierarchical aggregation framework in the trusted multi-view learning domain. Extensive experiments show that our model outperforms some state-of-art trust-related baselines.
Multi-model Ensemble Conformal Prediction in Dynamic Environments
Authors: Erfan Hajihashemi, Yanning Shen
Date: 2024-11-06 00:00:00
Tasks: Conformal Prediction, model, Prediction, Uncertainty Quantification, valid

Conformal prediction is an uncertainty quantification method that constructs a prediction set for a previously unseen datum, ensuring the true label is included with a predetermined coverage probability. Adaptive conformal prediction has been developed to address data distribution shifts in dynamic environments. However, the efficiency of prediction sets varies depending on the learning model used. Employing a single fixed model may not consistently offer the best performance in dynamic environments with unknown data distribution shifts. To address this issue, we introduce a novel adaptive conformal prediction framework, where the model used for creating prediction sets is selected on the fly from multiple candidate models. The proposed algorithm is proven to achieve strongly adaptive regret over all intervals while maintaining valid coverage. Experiments on real and synthetic datasets corroborate that the proposed approach consistently yields more efficient prediction sets while maintaining valid coverage, outperforming alternative methods.
Energy-based physics-informed neural network for frictionless contact problems under large deformation
Authors: Jinshuai Bai, Zhongya Lin, Yizheng Wang, Jiancong Wen, Yinghua Liu, Timon Rabczuk, Yuantong Gu, Xi-Qiao Feng
Date: 2024-11-06 00:00:00
Tasks: Computational Efficiency, Contact mechanics

Numerical methods for contact mechanics are of great importance in engineering applications, enabling the prediction and analysis of complex surface interactions under various conditions. In this work, we propose an energy-based physics-informed neural network (PINNs) framework for solving frictionless contact problems under large deformation. Inspired by microscopic Lennard-Jones potential, a surface contact energy is used to describe the contact phenomena. To ensure the robustness of the proposed PINN framework, relaxation, gradual loading and output scaling techniques are introduced. In the numerical examples, the well-known Hertz contact benchmark problem is conducted, demonstrating the effectiveness and robustness of the proposed PINNs framework. Moreover, challenging contact problems with the consideration of geometrical and material nonlinearities are tested. It has been shown that the proposed PINNs framework provides a reliable and powerful tool for nonlinear contact mechanics. More importantly, the proposed PINNs framework exhibits competitive computational efficiency to the commercial FEM software when dealing with those complex contact problems. The codes used in this manuscript are available at https://github.com/JinshuaiBai/energy_PINN_Contact.(The code will be available after acceptance)
Can Graph Neural Networks Expose Training Data Properties? An Efficient Risk Assessment Approach
Authors: Hanyang Yuan, Jiarong Xu, Renhong Huang, Mingli Song, Chunping Wang, Yang Yang
Date: 2024-11-06 00:00:00
Tasks: Diversity, Inference Attack

Graph neural networks (GNNs) have attracted considerable attention due to their diverse applications. However, the scarcity and quality limitations of graph data present challenges to their training process in practical settings. To facilitate the development of effective GNNs, companies and researchers often seek external collaboration. Yet, directly sharing data raises privacy concerns, motivating data owners to train GNNs on their private graphs and share the trained models. Unfortunately, these models may still inadvertently disclose sensitive properties of their training graphs (e.g., average default rate in a transaction network), leading to severe consequences for data owners. In this work, we study graph property inference attack to identify the risk of sensitive property information leakage from shared models. Existing approaches typically train numerous shadow models for developing such attack, which is computationally intensive and impractical. To address this issue, we propose an efficient graph property inference attack by leveraging model approximation techniques. Our method only requires training a small set of models on graphs, while generating a sufficient number of approximated shadow models for attacks. To enhance diversity while reducing errors in the approximated models, we apply edit distance to quantify the diversity within a group of approximated models and introduce a theoretically guaranteed criterion to evaluate each model's error. Subsequently, we propose a novel selection mechanism to ensure that the retained approximated models achieve high diversity and low error. Extensive experiments across six real-world scenarios demonstrate our method's substantial improvement, with average increases of 2.7% in attack accuracy and 4.1% in ROC-AUC, while being 6.5$\times$ faster compared to the best baseline.
Constrained Multi-objective Bayesian Optimization through Optimistic Constraints Estimation
Authors: Diantong Li, Fengxue Zhang, Chong Liu, Yuxin Chen
Date: 2024-11-06 00:00:00
Tasks: Active Learning, Bayesian Optimization, Drug Discovery, Hyperparameter Optimization

Multi-objective Bayesian optimization has been widely adopted in scientific experiment design, including drug discovery and hyperparameter optimization. In practice, regulatory or safety concerns often impose additional thresholds on certain attributes of the experimental outcomes. Previous work has primarily focused on constrained single-objective optimization tasks or active search under constraints. The existing constrained multi-objective algorithms address the issue with heuristics and approximations, posing challenges to the analysis of the sample efficiency. We propose a novel constrained multi-objective Bayesian optimization algorithm COMBOO that balances active learning of the level-set defined on multiple unknowns with multi-objective optimization within the feasible region. We provide both theoretical analysis and empirical evidence, demonstrating the efficacy of our approach on various synthetic benchmarks and real-world applications.
SEGMN: A Structure-Enhanced Graph Matching Network for Graph Similarity Learning
Authors: Wenjun Wang, Jiacheng Lu, KeJia Chen, Zheng Liu, Shilong Sang
Date: 2024-11-06 00:00:00
Tasks: Graph Matching, Graph Similarity

Graph similarity computation (GSC) aims to quantify the similarity score between two graphs. Although recent GSC methods based on graph neural networks (GNNs) take advantage of intra-graph structures in message passing, few of them fully utilize the structures presented by edges to boost the representation of their connected nodes. Moreover, previous cross-graph node embedding matching lacks the perception of the overall structure of the graph pair, due to the fact that the node representations from GNNs are confined to the intra-graph structure, causing the unreasonable similarity score. Intuitively, the cross-graph structure represented in the assignment graph is helpful to rectify the inappropriate matching. Therefore, we propose a structure-enhanced graph matching network (SEGMN). Equipped with a dual embedding learning module and a structure perception matching module, SEGMN achieves structure enhancement in both embedding learning and cross-graph matching. The dual embedding learning module incorporates adjacent edge representation into each node to achieve a structure-enhanced representation. The structure perception matching module achieves cross-graph structure enhancement through assignment graph convolution. The similarity score of each cross-graph node pair can be rectified by aggregating messages from structurally relevant node pairs. Experimental results on benchmark datasets demonstrate that SEGMN outperforms the state-of-the-art GSC methods in the GED regression task, and the structure perception matching module is plug-and-play, which can further improve the performance of the baselines by up to 25%.
A Subsampling Based Neural Network for Spatial Data
Authors: Debjoy Thakur
Date: 2024-11-06 00:00:00
Tasks: regression

The application of deep neural networks in geospatial data has become a trending research problem in the present day. A significant amount of statistical research has already been introduced, such as generalized least square optimization by incorporating spatial variance-covariance matrix, considering basis functions in the input nodes of the neural networks, and so on. However, for lattice data, there is no available literature about the utilization of asymptotic analysis of neural networks in regression for spatial data. This article proposes a consistent localized two-layer deep neural network-based regression for spatial data. We have proved the consistency of this deep neural network for bounded and unbounded spatial domains under a fixed sampling design of mixed-increasing spatial regions. We have proved that its asymptotic convergence rate is faster than that of \cite{zhan2024neural}'s neural network and an improved generalization of \cite{shen2023asymptotic}'s neural network structure. We empirically observe the rate of convergence of discrepancy measures between the empirical probability distribution of observed and predicted data, which will become faster for a less smooth spatial surface. We have applied our asymptotic analysis of deep neural networks to the estimation of the monthly average temperature of major cities in the USA from its satellite image. This application is an effective showcase of non-linear spatial regression. We demonstrate our methodology with simulated lattice data in various scenarios.
Designing a Linearized Potential Function in Neural Network Optimization Using Csiszár Type of Tsallis Entropy
Authors: Keito Akiyama
Date: 2024-11-06 00:00:00

In recent years, learning for neural networks can be viewed as optimization in the space of probability measures. To obtain the exponential convergence to the optimizer, the regularizing term based on Shannon entropy plays an important role. Even though an entropy function heavily affects convergence results, there is almost no result on its generalization, because of the following two technical difficulties: one is the lack of sufficient condition for generalized logarithmic Sobolev inequality, and the other is the distributional dependence of the potential function within the gradient flow equation. In this paper, we establish a framework that utilizes a linearized potential function via Csisz\'{a}r type of Tsallis entropy, which is one of the generalized entropies. We also show that our new framework enable us to derive an exponential convergence result.
Temporal-Difference Learning Using Distributed Error Signals
Authors: Jonas Guan, Shon Eduard Verch, Claas Voelcker, Ethan C. Jackson, Nicolas Papernot, William A. Cunningham
Date: 2024-11-06 00:00:00
Tasks: Q-Learning

A computational problem in biological reward-based learning is how credit assignment is performed in the nucleus accumbens (NAc). Much research suggests that NAc dopamine encodes temporal-difference (TD) errors for learning value predictions. However, dopamine is synchronously distributed in regionally homogeneous concentrations, which does not support explicit credit assignment (like used by backpropagation). It is unclear whether distributed errors alone are sufficient for synapses to make coordinated updates to learn complex, nonlinear reward-based learning tasks. We design a new deep Q-learning algorithm, Artificial Dopamine, to computationally demonstrate that synchronously distributed, per-layer TD errors may be sufficient to learn surprisingly complex RL tasks. We empirically evaluate our algorithm on MinAtar, the DeepMind Control Suite, and classic control tasks, and show it often achieves comparable performance to deep RL algorithms that use backpropagation.