pwc-archive/papers-with-abstracts huggingface dataset:
Tight Regret Bounds for Single-pass Streaming Multi-armed Bandits
Authors: Chen Wang
Date: 2023-06-03 00:00:00
Tasks: Multi-Armed Bandits, Open-Ended Question Answering

Regret minimization in streaming multi-armed bandits (MABs) has been studied extensively in recent years. In the single-pass setting with $K$ arms and $T$ trials, a regret lower bound of $\Omega(T^{2/3})$ has been proved for any algorithm with $o(K)$ memory (Maiti et al. [NeurIPS'21]; Agarwal at al. [COLT'22]). On the other hand, however, the previous best regret upper bound is still $O(K^{1/3} T^{2/3}\log^{1/3}(T))$, which is achieved by the streaming implementation of the simple uniform exploration. The $O(K^{1/3}\log^{1/3}(T))$ gap leaves the open question of the tight regret bound in the single-pass MABs with sublinear arm memory. In this paper, we answer this open problem and complete the picture of regret minimization in single-pass streaming MABs. We first improve the regret lower bound to $\Omega(K^{1/3}T^{2/3})$ for algorithms with $o(K)$ memory, which matches the uniform exploration regret up to a logarithm factor in $T$. We then show that the $\log^{1/3}(T)$ factor is not necessary, and we can achieve $O(K^{1/3}T^{2/3})$ regret by finding an $\varepsilon$-best arm and committing to it in the rest of the trials. For regret minimization with high constant probability, we can apply the single-memory $\varepsilon$-best arm algorithms in Jin et al. [ICML'21] to obtain the optimal bound. Furthermore, for the expected regret minimization, we design an algorithm with a single-arm memory that achieves $O(K^{1/3} T^{2/3}\log(K))$ regret, and an algorithm with $O(\log^{*}(n))$-memory with the optimal $O(K^{1/3} T^{2/3})$ regret following the $\varepsilon$-best arm algorithm in Assadi and Wang [STOC'20]. We further tested the empirical performances of our algorithms. The simulation results show that the proposed algorithms consistently outperform the benchmark uniform exploration algorithm by a large margin, and on occasion, reduce the regret by up to 70%.
Mitigating Molecular Aggregation in Drug Discovery with Predictive Insights from Explainable AI
Authors: Hunter Sturm, Jonas Teufel, Kaitlin A. Isfeld, Pascal Friederich, Rebecca L. Davis
Date: 2023-06-03 00:00:00
Tasks: Drug Discovery

Herein, we present the application of MEGAN, our explainable AI (xAI) model, for the identification of small colloidally aggregating molecules (SCAMs). This work offers solutions to the long-standing problem of false positives caused by SCAMs in high throughput screening for drug discovery and demonstrates the power of xAI in the classification of molecular properties that are not chemically intuitive based on our current understanding. We leverage xAI insights and molecular counterfactuals to design alternatives to problematic compounds in drug screening libraries. Additionally, we experimentally validate the MEGAN prediction classification for one of the counterfactuals and demonstrate the utility of counterfactuals for altering the aggregation properties of a compound through minor structural modifications. The integration of this method in high-throughput screening approaches will help combat and circumvent false positives, providing better lead molecules more rapidly and thus accelerating drug discovery cycles.
LDEB -- Label Digitization with Emotion Binarization and Machine Learning for Emotion Recognition in Conversational Dialogues
Authors: Amitabha Dey, Shan Suthaharan
Date: 2023-06-03 00:00:00
Tasks: Binarization, Emotion Recognition, Text Normalization

Emotion recognition in conversations (ERC) is vital to the advancements of conversational AI and its applications. Therefore, the development of an automated ERC model using the concepts of machine learning (ML) would be beneficial. However, the conversational dialogues present a unique problem where each dialogue depicts nested emotions that entangle the association between the emotional feature descriptors and emotion type (or label). This entanglement that can be multiplied with the presence of data paucity is an obstacle for a ML model. To overcome this problem, we proposed a novel approach called Label Digitization with Emotion Binarization (LDEB) that disentangles the twists by utilizing the text normalization and 7-bit digital encoding techniques and constructs a meaningful feature space for a ML model to be trained. We also utilized the publicly available dataset called the FETA-DailyDialog dataset for feature learning and developed a hierarchical ERC model using random forest (RF) and artificial neural network (ANN) classifiers. Simulations showed that the ANN-based ERC model was able to predict emotion with the best accuracy and precision scores of about 74% and 76%, respectively. Simulations also showed that the ANN-model could reach a training accuracy score of about 98% with 60 epochs. On the other hand, the RF-based ERC model was able to predict emotions with the best accuracy and precision scores of about 78% and 75%, respectively.
Correcting auto-differentiation in neural-ODE training
Authors: Yewei Xu, Shi Chen, Qin Li, Stephen J. Wright
Date: 2023-06-03 00:00:00

Does the use of auto-differentiation yield reasonable updates to deep neural networks that represent neural ODEs? Through mathematical analysis and numerical evidence, we find that when the neural network employs high-order forms to approximate the underlying ODE flows (such as the Linear Multistep Method (LMM)), brute-force computation using auto-differentiation often produces non-converging artificial oscillations. In the case of Leapfrog, we propose a straightforward post-processing technique that effectively eliminates these oscillations, rectifies the gradient computation and thus respects the updates of the underlying flow.
Probabilistic Solar Proxy Forecasting with Neural Network Ensembles
Authors: Joshua D. Daniell, Piyush M. Mehta
Date: 2023-06-03 00:00:00

Space weather indices are used commonly to drive forecasts of thermosphere density, which directly affects objects in low-Earth orbit (LEO) through atmospheric drag. One of the most commonly used space weather proxies, $F_{10.7 cm}$, correlates well with solar extreme ultra-violet (EUV) energy deposition into the thermosphere. Currently, the USAF contracts Space Environment Technologies (SET), which uses a linear algorithm to forecast $F_{10.7 cm}$. In this work, we introduce methods using neural network ensembles with multi-layer perceptrons (MLPs) and long-short term memory (LSTMs) to improve on the SET predictions. We make predictions only from historical $F_{10.7 cm}$ values, but also investigate data manipulation to improve forecasting. We investigate data manipulation methods (backwards averaging and lookback) as well as multi step and dynamic forecasting. This work shows an improvement over the baseline when using ensemble methods. The best models found in this work are ensemble approaches using multi step or a combination of multi step and dynamic predictions. Nearly all approaches offer an improvement, with the best models improving between 45 and 55\% on relative MSE. Other relative error metrics were shown to improve greatly when ensembles methods were used. We were also able to leverage the ensemble approach to provide a distribution of predicted values; allowing an investigation into forecast uncertainty. Our work found models that produced less biased predictions at elevated and high solar activity levels. Uncertainty was also investigated through the use of a calibration error score metric (CES), our best ensemble reached similar CES as other work.
Few-Shot Open-Set Learning for On-Device Customization of KeyWord Spotting Systems
Authors: Manuele Rusci, Tinne Tuytelaars
Date: 2023-06-03 00:00:00
Tasks: Few-Shot Learning, Keyword Spotting, Open Set Learning, Triplet

A personalized KeyWord Spotting (KWS) pipeline typically requires the training of a Deep Learning model on a large set of user-defined speech utterances, preventing fast customization directly applied on-device. To fill this gap, this paper investigates few-shot learning methods for open-set KWS classification by combining a deep feature encoder with a prototype-based classifier. With user-defined keywords from 10 classes of the Google Speech Command dataset, our study reports an accuracy of up to 76% in a 10-shot scenario while the false acceptance rate of unknown data is kept to 5%. In the analyzed settings, the usage of the triplet loss to train an encoder with normalized output features performs better than the prototypical networks jointly trained with a generator of dummy unknown-class prototypes. This design is also more effective than encoders trained on a classification problem and features fewer parameters than other iso-accuracy approaches.
Transforming to Yoked Neural Networks to Improve ANN Structure
Authors: Xinshun Liu, Yizhi Fang, Yichao Jiang
Date: 2023-06-03 00:00:00

Most existing classical artificial neural networks (ANN) are designed as a tree structure to imitate neural networks. In this paper, we argue that the connectivity of a tree is not sufficient to characterize a neural network. The nodes of the same level of a tree cannot be connected with each other, i.e., these neural unit cannot share information with each other, which is a major drawback of ANN. Although ANN has been significantly improved in recent years to more complex structures, such as the directed acyclic graph (DAG), these methods also have unidirectional and acyclic bias for ANN. In this paper, we propose a method to build a bidirectional complete graph for the nodes in the same level of an ANN, which yokes the nodes of the same level to formulate a neural module. We call our model as YNN in short. YNN promotes the information transfer significantly which obviously helps in improving the performance of the method. Our YNN can imitate neural networks much better compared with the traditional ANN. In this paper, we analyze the existing structural bias of ANN and propose a model YNN to efficiently eliminate such structural bias. In our model, nodes also carry out aggregation and transformation of features, and edges determine the flow of information. We further impose auxiliary sparsity constraint to the distribution of connectedness, which promotes the learned structure to focus on critical connections. Finally, based on the optimized structure, we also design small neural module structure based on the minimum cut technique to reduce the computational burden of the YNN model. This learning process is compatible with the existing networks and different tasks. The obtained quantitative experimental results reflect that the learned connectivity is superior to the traditional NN structure.
Acoustic Word Embeddings for Untranscribed Target Languages with Continued Pretraining and Learned Pooling
Authors: Ramon Sanabria, Ondrej Klejch, Hao Tang, Sharon Goldwater
Date: 2023-06-03 00:00:00
Tasks: Word Embeddings

Acoustic word embeddings are typically created by training a pooling function using pairs of word-like units. For unsupervised systems, these are mined using k-nearest neighbor (KNN) search, which is slow. Recently, mean-pooled representations from a pre-trained self-supervised English model were suggested as a promising alternative, but their performance on target languages was not fully competitive. Here, we explore improvements to both approaches: we use continued pre-training to adapt the self-supervised model to the target language, and we use a multilingual phone recognizer (MPR) to mine phone n-gram pairs for training the pooling function. Evaluating on four languages, we show that both methods outperform a recent approach on word discrimination. Moreover, the MPR method is orders of magnitude faster than KNN, and is highly data efficient. We also show a small improvement from performing learned pooling on top of the continued pre-trained representations.
An information field theory approach to Bayesian state and parameter estimation in dynamical systems
Authors: Kairui Hao, Ilias Bilionis
Date: 2023-06-03 00:00:00
Tasks: parameter estimation, State Estimation, Variational Inference

Dynamical system state estimation and parameter calibration problems are ubiquitous across science and engineering. Bayesian approaches to the problem are the gold standard as they allow for the quantification of uncertainties and enable the seamless fusion of different experimental modalities. When the dynamics are discrete and stochastic, one may employ powerful techniques such as Kalman, particle, or variational filters. Practitioners commonly apply these methods to continuous-time, deterministic dynamical systems after discretizing the dynamics and introducing fictitious transition probabilities. However, approaches based on time-discretization suffer from the curse of dimensionality since the number of random variables grows linearly with the number of time-steps. Furthermore, the introduction of fictitious transition probabilities is an unsatisfactory solution because it increases the number of model parameters and may lead to inference bias. To address these drawbacks, the objective of this paper is to develop a scalable Bayesian approach to state and parameter estimation suitable for continuous-time, deterministic dynamical systems. Our methodology builds upon information field theory. Specifically, we construct a physics-informed prior probability measure on the function space of system responses so that functions that satisfy the physics are more likely. This prior allows us to quantify model form errors. We connect the system's response to observations through a probabilistic model of the measurement process. The joint posterior over the system responses and all parameters is given by Bayes' rule. To approximate the intractable posterior, we develop a stochastic variational inference algorithm. In summary, the developed methodology offers a powerful framework for Bayesian estimation in dynamical systems.
A General Framework for Interpretable Neural Learning based on Local Information-Theoretic Goal Functions
Authors: Abdullah Makkeh, Marcel Graetz, Andreas C. Schneider, David A. Ehrlich, Viola Priesemann, Michael Wibral
Date: 2023-06-03 00:00:00

Despite the impressive performance of biological and artificial networks, an intuitive understanding of how their local learning dynamics contribute to network-level task solutions remains a challenge to this date. Efforts to bring learning to a more local scale indeed lead to valuable insights, however, a general constructive approach to describe local learning goals that is both interpretable and adaptable across diverse tasks is still missing. We have previously formulated a local information processing goal that is highly adaptable and interpretable for a model neuron with compartmental structure. Building on recent advances in Partial Information Decomposition (PID), we here derive a corresponding parametric local learning rule, which allows us to introduce 'infomorphic' neural networks. We demonstrate the versatility of these networks to perform tasks from supervised, unsupervised and memory learning. By leveraging the interpretable nature of the PID framework, infomorphic networks represent a valuable tool to advance our understanding of the intricate structure of local learning.
Inconsistent Matters: A Knowledge-guided Dual-consistency Network for Multi-modal Rumor Detection
Authors: Mengzhu Sun, Xi Zhang, Jianqiang Ma, Sihong Xie, Yazheng Liu, Philip S. Yu
Date: 2023-06-03 00:00:00
Tasks: Representation Learning

Rumor spreaders are increasingly utilizing multimedia content to attract the attention and trust of news consumers. Though quite a few rumor detection models have exploited the multi-modal data, they seldom consider the inconsistent semantics between images and texts, and rarely spot the inconsistency among the post contents and background knowledge. In addition, they commonly assume the completeness of multiple modalities and thus are incapable of handling handle missing modalities in real-life scenarios. Motivated by the intuition that rumors in social media are more likely to have inconsistent semantics, a novel Knowledge-guided Dual-consistency Network is proposed to detect rumors with multimedia contents. It uses two consistency detection subnetworks to capture the inconsistency at the cross-modal level and the content-knowledge level simultaneously. It also enables robust multi-modal representation learning under different missing visual modality conditions, using a special token to discriminate between posts with visual modality and posts without visual modality. Extensive experiments on three public real-world multimedia datasets demonstrate that our framework can outperform the state-of-the-art baselines under both complete and incomplete modality conditions. Our codes are available at https://github.com/MengzSun/KDCN.
Random matrix theory and the loss surfaces of neural networks
Authors: Nicholas P Baskerville
Date: 2023-06-03 00:00:00

Neural network models are one of the most successful approaches to machine learning, enjoying an enormous amount of development and research over recent years and finding concrete real-world applications in almost any conceivable area of science, engineering and modern life in general. The theoretical understanding of neural networks trails significantly behind their practical success and the engineering heuristics that have grown up around them. Random matrix theory provides a rich framework of tools with which aspects of neural network phenomenology can be explored theoretically. In this thesis, we establish significant extensions of prior work using random matrix theory to understand and describe the loss surfaces of large neural networks, particularly generalising to different architectures. Informed by the historical applications of random matrix theory in physics and elsewhere, we establish the presence of local random matrix universality in real neural networks and then utilise this as a modeling assumption to derive powerful and novel results about the Hessians of neural network loss surfaces and their spectra. In addition to these major contributions, we make use of random matrix models for neural network loss surfaces to shed light on modern neural network training approaches and even to derive a novel and effective variant of a popular optimisation algorithm. Overall, this thesis provides important contributions to cement the place of random matrix theory in the theoretical study of modern neural networks, reveals some of the limits of existing approaches and begins the study of an entirely new role for random matrix theory in the theory of deep learning with important experimental discoveries and novel theoretical results based on local random matrix universality.
Variational Gaussian Process Diffusion Processes
Authors: Prakhar Verma, Vincent Adam, Arno Solin
Date: 2023-06-03 00:00:00
Tasks: Variational Inference

Diffusion processes are a class of stochastic differential equations (SDEs) providing a rich family of expressive models that arise naturally in dynamic modelling tasks. Probabilistic inference and learning under generative models with latent processes endowed with a non-linear diffusion process prior are intractable problems. We build upon work within variational inference, approximating the posterior process as a linear diffusion process, and point out pathologies in the approach. We propose an alternative parameterization of the Gaussian variational process using a site-based exponential family description. This allows us to trade a slow inference algorithm with fixed-point iterations for a fast algorithm for convex optimization akin to natural gradient descent, which also provides a better objective for learning model parameters.
Exploring the Optimal Choice for Generative Processes in Diffusion Models: Ordinary vs Stochastic Differential Equations
Date: 2023-06-03 00:00:00
Proceeding: NeurIPS 2023 11

The diffusion model has shown remarkable success in computer vision, but it remains unclear whether the ODE-based probability flow or the SDE-based diffusion model is more superior and under what circumstances. Comparing the two is challenging due to dependencies on data distributions, score training, and other numerical issues. In this paper, we study the problem mathematically for two limiting scenarios: the zero diffusion (ODE) case and the large diffusion case. We first introduce a pulse-shape error to perturb the score function and analyze error accumulation of sampling quality, followed by a thorough analysis for generalization to arbitrary error. Our findings indicate that when the perturbation occurs at the end of the generative process, the ODE model outperforms the SDE model with a large diffusion coefficient. However, when the perturbation occurs earlier, the SDE model outperforms the ODE model, and we demonstrate that the error of sample generation due to such a pulse-shape perturbation is exponentially suppressed as the diffusion term's magnitude increases to infinity. Numerical validation of this phenomenon is provided using Gaussian, Gaussian mixture, and Swiss roll distribution, as well as realistic datasets like MNIST and CIFAR-10.
LambdaBeam: Neural Program Search with Higher-Order Functions and Lambdas
Date: 2023-06-03 00:00:00
Proceeding: NeurIPS 2023 11
Tasks: Program Synthesis

Search is an important technique in program synthesis that allows for adaptive strategies such as focusing on particular search directions based on execution results. Several prior works have demonstrated that neural models are effective at guiding program synthesis searches. However, a common drawback of those approaches is the inability to handle iterative loops, higher-order functions, or lambda functions, thus limiting prior neural searches from synthesizing longer and more general programs. We address this gap by designing a search algorithm called LambdaBeam that can construct arbitrary lambda functions that compose operations within a given DSL. We create semantic vector representations of the execution behavior of the lambda functions and train a neural policy network to choose which lambdas to construct during search, and pass them as arguments to higher-order functions to perform looping computations. Our experiments show that LambdaBeam outperforms neural, symbolic, and LLM-based techniques in an integer list manipulation domain.
DOS: Diverse Outlier Sampling for Out-of-Distribution Detection
Authors: Wenyu Jiang, Hao Cheng, Mingcai Chen, Chongjun Wang, Hongxin Wei
Date: 2023-06-03 00:00:00
Tasks: Diversity, Out-of-Distribution Detection

Modern neural networks are known to give overconfident prediction for out-of-distribution inputs when deployed in the open world. It is common practice to leverage a surrogate outlier dataset to regularize the model during training, and recent studies emphasize the role of uncertainty in designing the sampling strategy for outlier dataset. However, the OOD samples selected solely based on predictive uncertainty can be biased towards certain types, which may fail to capture the full outlier distribution. In this work, we empirically show that diversity is critical in sampling outliers for OOD detection performance. Motivated by the observation, we propose a straightforward and novel sampling strategy named DOS (Diverse Outlier Sampling) to select diverse and informative outliers. Specifically, we cluster the normalized features at each iteration, and the most informative outlier from each cluster is selected for model training with absent category loss. With DOS, the sampled outliers efficiently shape a globally compact decision boundary between ID and OOD data. Extensive experiments demonstrate the superiority of DOS, reducing the average FPR95 by up to 25.79% on CIFAR-100 with TI-300K.