Authors: Ziyao Li
Abstract: This short paper is a fast proof-of-concept that the 3-order B-splines used in Kolmogorov-Arnold Networks (KANs) can be well approximated by Gaussian radial basis functions. Doing so leads to FastKAN, a much faster implementation of KAN which is also a radial basis function (RBF) network.
Authors: Yao Lai, Jinxin Liu, David Z. Pan, Ping Luo
Abstract: Across a wide range of hardware scenarios, the computational efficiency and physical size of the arithmetic units significantly influence the speed and footprint of the overall hardware system. Nevertheless, the effectiveness of prior arithmetic design techniques proves inadequate, as it does not sufficiently optimize speed and area, resulting in a reduced processing rate and larger module size. To boost the arithmetic performance, in this work, we focus on the two most common and fundamental arithmetic modules: adders and multipliers. We cast the design tasks as single-player tree generation games, leveraging reinforcement learning techniques to optimize their arithmetic tree structures. Such a tree generation formulation allows us to efficiently navigate the vast search space and discover superior arithmetic designs that improve computational efficiency and hardware size within just a few hours. For adders, our approach discovers designs of 128-bit adders that achieve Pareto optimality in theoretical metrics. Compared with the state-of-the-art PrefixRL, our method decreases computational delay and hardware size by up to 26% and 30%, respectively. For multipliers, when compared to RL-MUL, our approach increases speed and reduces size by as much as 49% and 45%. Moreover, the inherent flexibility and scalability of our method enable us to deploy our designs into cutting-edge technologies, as we show that they can be seamlessly integrated into 7nm technology. We believe our work will offer valuable insights into hardware design, further accelerating speed and reducing size through the refined search space and our tree generation methodologies. See our introduction video at https://bit.ly/ArithmeticTree. Codes are released at https://github.com/laiyao1/ArithmeticTree.
URLs: https://bit.ly/ArithmeticTree., https://github.com/laiyao1/ArithmeticTree.
Authors: Alexandre Galashov, Valentin de Bortoli, Arthur Gretton
Abstract: We propose a gradient flow procedure for generative modeling by transporting particles from an initial source distribution to a target distribution, where the gradient field on the particles is given by a noise-adaptive Wasserstein Gradient of the Maximum Mean Discrepancy (MMD). The noise-adaptive MMD is trained on data distributions corrupted by increasing levels of noise, obtained via a forward diffusion process, as commonly used in denoising diffusion probabilistic models. The result is a generalization of MMD Gradient Flow, which we call Diffusion-MMD-Gradient Flow or DMMD. The divergence training procedure is related to discriminator training in Generative Adversarial Networks (GAN), but does not require adversarial training. We obtain competitive empirical performance in unconditional image generation on CIFAR10, MNIST, CELEB-A (64 x64) and LSUN Church (64 x 64). Furthermore, we demonstrate the validity of the approach when MMD is replaced by a lower bound on the KL divergence.
Authors: Xingyu Li, Lu Peng, Yuping Wang, Weihua Zhang
Abstract: This survey explores the transformative impact of foundation models (FMs) in artificial intelligence, focusing on their integration with federated learning (FL) for advancing biomedical research. Foundation models such as ChatGPT, LLaMa, and CLIP, which are trained on vast datasets through methods including unsupervised pretraining, self-supervised learning, instructed fine-tuning, and reinforcement learning from human feedback, represent significant advancements in machine learning. These models, with their ability to generate coherent text and realistic images, are crucial for biomedical applications that require processing diverse data forms such as clinical reports, diagnostic images, and multimodal patient interactions. The incorporation of FL with these sophisticated models presents a promising strategy to harness their analytical power while safeguarding the privacy of sensitive medical data. This approach not only enhances the capabilities of FMs in medical diagnostics and personalized treatment but also addresses critical concerns about data privacy and security in healthcare. This survey reviews the current applications of FMs in federated settings, underscores the challenges, and identifies future research directions including scaling FMs, managing data diversity, and enhancing communication efficiency within FL frameworks. The objective is to encourage further research into the combined potential of FMs and FL, laying the groundwork for groundbreaking healthcare innovations.
Authors: Thai-Hoang Pham, Xueru Zhang, Ping Zhang
Abstract: Although recent advances in machine learning have shown its success to learn from independent and identically distributed (IID) data, it is vulnerable to out-of-distribution (OOD) data in an open world. Domain generalization (DG) deals with such an issue and it aims to learn a model from multiple source domains that can be generalized to unseen target domains. Existing studies on DG have largely focused on stationary settings with homogeneous source domains. However, in many applications, domains may evolve along a specific direction (e.g., time, space). Without accounting for such non-stationary patterns, models trained with existing methods may fail to generalize on OOD data. In this paper, we study domain generalization in non-stationary environment. We first examine the impact of environmental non-stationarity on model performance and establish the theoretical upper bounds for the model error at target domains. Then, we propose a novel algorithm based on adaptive invariant representation learning, which leverages the non-stationary pattern to train a model that attains good performance on target domains. Experiments on both synthetic and real data validate the proposed algorithm.
Authors: Luyuan Xie, Manqing Lin, Tianyu Luan, Cong Li, Yuejian Fang, Qingni Shen, Zhonghai Wu
Abstract: Federated learning is widely used in medical applications for training global models without needing local data access. However, varying computational capabilities and network architectures (system heterogeneity), across clients pose significant challenges in effectively aggregating information from non-independently and identically distributed (non-IID) data. Current federated learning methods using knowledge distillation require public datasets, raising privacy and data collection issues. Additionally, these datasets require additional local computing and storage resources, which is a burden for medical institutions with limited hardware conditions. In this paper, we introduce a novel federated learning paradigm, named Model Heterogeneous personalized Federated Learning via Injection and Distillation (MH-pFLID). Our framework leverages a lightweight messenger model that carries concentrated information to collect the information from each client. We also develop a set of receiver and transmitter modules to receive and send information from the messenger model, so that the information could be injected and distilled with efficiency.
Authors: Harsh Patel, Buvaneswari A. Ramanan, Manzoor A. Khan, Thomas Williams, Brian Friedman, Lawrence Drabeck
Abstract: This paper explores the possibilities of the current generation of Large Language Models for incorporating Machine Learning Operations (MLOps) functionalities into ML training code bases. We evaluate the performance of OpenAI (gpt-3.5-turbo) and WizardCoder (open-source, 15B parameters) models on the automated accomplishment of various MLOps functionalities in different settings. We perform a benchmarking study that assesses the ability of these models to: (1) adapt existing code samples (Inlining) with component-specific MLOps functionality such as MLflow and Weights & Biases for experiment tracking, Optuna for hyperparameter optimization etc., and (2) perform the task of Translation from one component of an MLOps functionality to another, e.g., translating existing GitPython library based version control code to Data Version Control library based. We also propose three different approaches that involve teaching LLMs to comprehend the API documentation of the components as a reference while accomplishing the Translation tasks. In our evaluations, the gpt-3.5-turbo model significantly outperforms WizardCoder by achieving impressive Pass@3 accuracy in model optimization (55% compared to 0% by WizardCoder), experiment tracking (100%, compared to 62.5% by WizardCoder), model registration (92% compared to 42% by WizardCoder) and hyperparameter optimization (83% compared to 58% by WizardCoder) on average, in their best possible settings, showcasing its superior code adaptability performance in complex MLOps tasks.
Authors: Tony Tohme, Mohammad Javad Khojasteh, Mohsen Sadr, Florian Meyer, Kamal Youcef-Toumi
Abstract: We introduce an Invertible Symbolic Regression (ISR) method. It is a machine learning technique that generates analytical relationships between inputs and outputs of a given dataset via invertible maps (or architectures). The proposed ISR method naturally combines the principles of Invertible Neural Networks (INNs) and Equation Learner (EQL), a neural network-based symbolic architecture for function learning. In particular, we transform the affine coupling blocks of INNs into a symbolic framework, resulting in an end-to-end differentiable symbolic invertible architecture that allows for efficient gradient-based learning. The proposed ISR framework also relies on sparsity promoting regularization, allowing the discovery of concise and interpretable invertible expressions. We show that ISR can serve as a (symbolic) normalizing flow for density estimation tasks. Furthermore, we highlight its practical applicability in solving inverse problems, including a benchmark inverse kinematics problem, and notably, a geoacoustic inversion problem in oceanography aimed at inferring posterior distributions of underlying seabed parameters from acoustic signals.
Authors: Tuomas Oikarinen, Tsui-Wei Weng
Abstract: In recent years many methods have been developed to understand the internal workings of neural networks, often by describing the function of individual neurons in the model. However, these methods typically only focus on explaining the very highest activations of a neuron. In this paper we show this is not sufficient, and that the highest activation range is only responsible for a very small percentage of the neuron's causal effect. In addition, inputs causing lower activations are often very different and can't be reliably predicted by only looking at high activations. We propose that neurons should instead be understood as a linear combination of concepts, and develop an efficient method for producing these linear explanations. In addition, we show how to automatically evaluate description quality using simulation, i.e. predicting neuron activations on unseen inputs in vision setting.
Authors: Parth Patil, Ben Boardley, Jack Gardner, Emily Loiselle, Deerajkumar Parthipan
Abstract: Deep neural networks (DNNs) have been used to create models for many complex analysis problems like image recognition and medical diagnosis. DNNs are a popular tool within machine learning due to their ability to model complex patterns and distributions. However, the performance of these networks is highly dependent on the quality of the data used to train the models. Two characteristics of these sets, noisy labels and training set biases, are known to frequently cause poor generalization performance as a result of overfitting to the training set. This paper aims to solve this problem using the approach proposed by Ren et al. (2018) using meta-training and online weight approximation. We will first implement a toy-problem to crudely verify the claims made by the authors of Ren et al. (2018) and then venture into using the approach to solve a real world problem of Skin-cancer detection using an imbalanced image dataset.
Authors: Hengzhe Zhang, Qi Chen, Bing Xue, Wolfgang Banzhaf, Mengjie Zhang
Abstract: In recent years, genetic programming (GP)-based evolutionary feature construction has achieved significant success. However, a primary challenge with evolutionary feature construction is its tendency to overfit the training data, resulting in poor generalization on unseen data. In this research, we draw inspiration from PAC-Bayesian theory and propose using sharpness-aware minimization in function space to discover symbolic features that exhibit robust performance within a smooth loss landscape in the semantic space. By optimizing sharpness in conjunction with cross-validation loss, as well as designing a sharpness reduction layer, the proposed method effectively mitigates the overfitting problem of GP, especially when dealing with a limited number of instances or in the presence of label noise. Experimental results on 58 real-world regression datasets show that our approach outperforms standard GP as well as six state-of-the-art complexity measurement methods for GP in controlling overfitting. Furthermore, the ensemble version of GP with sharpness-aware minimization demonstrates superior performance compared to nine fine-tuned machine learning and symbolic regression algorithms, including XGBoost and LightGBM.
Authors: Zirou Qiu, Abhijin Adiga, Madhav V. Marathe, S. S. Ravi, Daniel J. Rosenkrantz, Richard E. Stearns, Anil Vullikanti
Abstract: Networked dynamical systems are widely used as formal models of real-world cascading phenomena, such as the spread of diseases and information. Prior research has addressed the problem of learning the behavior of an unknown dynamical system when the underlying network has a single layer. In this work, we study the learnability of dynamical systems over multilayer networks, which are more realistic and challenging. First, we present an efficient PAC learning algorithm with provable guarantees to show that the learner only requires a small number of training examples to infer an unknown system. We further provide a tight analysis of the Natarajan dimension which measures the model complexity. Asymptotically, our bound on the Nararajan dimension is tight for almost all multilayer graphs. The techniques and insights from our work provide the theoretical foundations for future investigations of learning problems for multilayer dynamical systems.
Authors: Kang Du, Yu Xiang
Abstract: Causal inference from observational data following the restricted structural causal models (SCM) framework hinges largely on the asymmetry between cause and effect from the data generating mechanisms, such as non-Gaussianity or non-linearity. This methodology can be adapted to stationary time series, yet inferring causal relationships from nonstationary time series remains a challenging task. In this work, we propose a new class of restricted SCM, via a time-varying filter and stationary noise, and exploit the asymmetry from nonstationarity for causal identification in both bivariate and network settings. We propose efficient procedures by leveraging powerful estimates of the bivariate evolutionary spectra for slowly varying processes. Various synthetic and real datasets that involve high-order and non-smooth filters are evaluated to demonstrate the effectiveness of our proposed methodology.
Authors: Zhen Zhang, Zihang Jia, Witold Pedrycz
Abstract: Efficient and robust data clustering remains a challenging task in the field of data analysis. Recent efforts have explored the integration of granular-ball (GB) computing with clustering algorithms to address this challenge, yielding promising results. However, existing methods for generating GBs often rely on single indicators to measure GB quality and employ threshold-based or greedy strategies, potentially leading to GBs that do not accurately capture the underlying data distribution. To address these limitations, this article introduces a novel GB generation method. The originality of this method lies in leveraging the principle of justifiable granularity to measure the quality of a GB for clustering tasks. To be precise, we define the coverage and specificity of a GB and introduce a comprehensive measure for assessing GB quality. Utilizing this quality measure, the method incorporates a binary tree pruning-based strategy and an anomaly detection method to determine the best combination of sub-GBs for each GB and identify abnormal GBs, respectively. Compared to previous GB generation methods, the new method maximizes the overall quality of generated GBs while ensuring alignment with the data distribution, thereby enhancing the rationality of the generated GBs. Experimental results obtained from both synthetic and publicly available datasets underscore the effectiveness of the proposed GB generation method, showcasing improvements in clustering accuracy and normalized mutual information.
Authors: Anka Reuel, Devin Ma
Abstract: While our understanding of fairness in machine learning has significantly progressed, our understanding of fairness in reinforcement learning (RL) remains nascent. Most of the attention has been on fairness in one-shot classification tasks; however, real-world, RL-enabled systems (e.g., autonomous vehicles) are much more complicated in that agents operate in dynamic environments over a long period of time. To ensure the responsible development and deployment of these systems, we must better understand fairness in RL. In this paper, we survey the literature to provide the most up-to-date snapshot of the frontiers of fairness in RL. We start by reviewing where fairness considerations can arise in RL, then discuss the various definitions of fairness in RL that have been put forth thus far. We continue to highlight the methodologies researchers used to implement fairness in single- and multi-agent RL systems before showcasing the distinct application domains that fair RL has been investigated in. Finally, we critically examine gaps in the literature, such as understanding fairness in the context of RLHF, that still need to be addressed in future work to truly operationalize fair RL in real-world systems.
Authors: Hartej Soin, Tapas Tripura, Souvik Chakraborty
Abstract: We propose a generative flow-induced neural architecture search algorithm. The proposed approach devices simple feed-forward neural networks to learn stochastic policies to generate sequences of architecture hyperparameters such that the generated states are in proportion with the reward from the terminal state. We demonstrate the efficacy of the proposed search algorithm on the wavelet neural operator (WNO), where we learn a policy to generate a sequence of hyperparameters like wavelet basis and activation operators for wavelet integral blocks. While the trajectory of the generated wavelet basis and activation sequence is cast as flow, the policy is learned by minimizing the flow violation between each state in the trajectory and maximizing the reward from the terminal state. In the terminal state, we train WNO simultaneously to guide the search. We propose to use the exponent of the negative of the WNO loss on the validation dataset as the reward function. While the grid search-based neural architecture generation algorithms foresee every combination, the proposed framework generates the most probable sequence based on the positive reward from the terminal state, thereby reducing exploration time. Compared to reinforcement learning schemes, where complete episodic training is required to get the reward, the proposed algorithm generates the hyperparameter trajectory sequentially. Through four fluid mechanics-oriented problems, we illustrate that the learned policies can sample the best-performing architecture of the neural operator, thereby improving the performance of the vanilla wavelet neural operator.
Authors: Pantea Habibi, Peyman Baghershahi, Sourav Medya, Debaleena Chattopadhyay
Abstract: Graph neural networks (GNNs) are powerful graph-based machine-learning models that are popular in various domains, e.g., social media, transportation, and drug discovery. However, owing to complex data representations, GNNs do not easily allow for human-intelligible explanations of their predictions, which can decrease trust in them as well as deter any collaboration opportunities between the AI expert and non-technical, domain expert. Here, we first discuss the two papers that aim to provide GNN explanations to domain experts in an accessible manner and then establish a set of design requirements for human-centered GNN explanations. Finally, we offer two example prototypes to demonstrate some of those proposed requirements.
Authors: Xiangwei Chen, Ruliang Xiaoa, Zhixia Zeng, Zhipeng Qiu, Shi Zhang, Xin Du
Abstract: Semi-supervised anomaly detection for guaranteeing the reliability of intelligent systems has received increasing attention. However, existing methods rely too much on data correlation and neglect causality, which can be misleading due to confounding factors and affect system reliability. Additionally, the current reinforcement learning anomaly detection methods can effectively identify known and unknown anomalies in environments with limited labeled samples. Despite its effectiveness, these methods still face several challenges, such as under-utilization of priori knowledge, lack of model flexibility, and insufficient reward feedback when interacting with the environment. To address the above problems, this paper innovatively constructs a counterfactual causal reinforcement learning model, termed Triple-Assisted Causal Reinforcement Learning Anomaly Detector (Tri-CRLAD). The model utilizes the causal inference mechanism to radically improve the performance of semi-supervised models and enhance the model's ability to uncover anomaly data in the face of unknown or rare data. In addition, Tri-CRLAD features a triple decision support mechanism, namely, a sampling strategy based on historical similarity, an adaptive threshold smoothing adjustment strategy, and an adaptive decision reward mechanism. These mechanisms further enhance the flexibility and generalization ability of the model, enabling it to effectively respond to various complex and dynamically changing environments. Finally, Tri-CRLAD matches or exceeds the performance of 9 baseline methods across 7 diverse intelligent system datasets, including satellite systems, medical systems, and health systems. Moreover, anomaly detection stability was significantly improved by up to 23\% with an extremely small number of known anomaly samples. Our code is available at https://github.com/Aoudsung/Tri-CRLAD/
Authors: Zhao-Rong Lai, Xiaotian Wu, Liangda Fang, Ziliang Chen
Abstract: The extended Weber location problem is a classical optimization problem that has inspired some new works in several machine learning scenarios recently. However, most existing algorithms may get stuck due to the singularity at the data points when the power of the cost function $1\leqslant q<2$, such as the widely-used iterative Weiszfeld approach. In this paper, we establish a de-singularity subgradient approach for this problem. We also provide a complete proof of convergence which has fixed some incomplete statements of the proofs for some previous Weiszfeld algorithms. Moreover, we deduce a new theoretical result of superlinear convergence for the iteration sequence in a special case where the minimum point is a singular point. We conduct extensive experiments in a real-world machine learning scenario to show that the proposed approach solves the singularity problem, produces the same results as in the non-singularity cases, and shows a reasonable rate of linear convergence. The results also indicate that the $q$-th power case ($1
Authors: QingGuo Qi, Hongyang Chen, Minhao Cheng, Han Liu
Abstract: Dynamic graphs are ubiquitous in the real world, yet there is a lack of suitable theoretical frameworks to effectively extend existing static graph models into the temporal domain. Additionally, for link prediction tasks on discrete dynamic graphs, the requirement of substantial GPU memory to store embeddings of all nodes hinders the scalability of existing models. In this paper, we introduce an Input {\bf S}napshots {\bf F}usion based {\bf Dy}namic {\bf G}raph Neural Network (SFDyG). By eliminating the partitioning of snapshots within the input window, we obtain a multi-graph (more than one edge between two nodes). Subsequently, by introducing a graph denoising problem with the assumption of temporal decayed smoothing, we integrate Hawkes process theory into Graph Neural Networks to model the generated multi-graph. Furthermore, based on the multi-graph, we propose a scalable three-step mini-batch training method and demonstrate its equivalence to full-batch training counterpart. Our experiments, conducted on eight distinct dynamic graph datasets for future link prediction tasks, revealed that SFDyG generally surpasses related methods.
Authors: Yang Yang, Nan Jiang, Yi Xu, De-Chuan Zhan
Abstract: Open-set Semi-supervised Learning (OSSL) holds a realistic setting that unlabeled data may come from classes unseen in the labeled set, i.e., out-of-distribution (OOD) data, which could cause performance degradation in conventional SSL models. To handle this issue, except for the traditional in-distribution (ID) classifier, some existing OSSL approaches employ an extra OOD detection module to avoid the potential negative impact of the OOD data. Nevertheless, these approaches typically employ the entire set of open-set data during their training process, which may contain data unfriendly to the OSSL task that can negatively influence the model performance. This inspires us to develop a robust open-set data selection strategy for OSSL. Through a theoretical understanding from the perspective of learning theory, we propose Wise Open-set Semi-supervised Learning (WiseOpen), a generic OSSL framework that selectively leverages the open-set data for training the model. By applying a gradient-variance-based selection mechanism, WiseOpen exploits a friendly subset instead of the whole open-set dataset to enhance the model's capability of ID classification. Moreover, to reduce the computational expense, we also propose two practical variants of WiseOpen by adopting low-frequency update and loss-based selection respectively. Extensive experiments demonstrate the effectiveness of WiseOpen in comparison with the state-of-the-art.
Authors: Anningzhe Gao, Shan Dai
Abstract: Temporal Point Processes (TPPs), especially Hawkes Process are commonly used for modeling asynchronous event sequences data such as financial transactions and user behaviors in social networks. Due to the strong fitting ability of neural networks, various neural Temporal Point Processes are proposed, among which the Neural Hawkes Processes based on self-attention such as Transformer Hawkes Process (THP) achieve distinct performance improvement. Although the THP has gained increasing studies, it still suffers from the {sequence prediction issue}, i.e., training on history sequences and inferencing about the future, which is a prevalent paradigm in realistic sequence analysis tasks. What's more, conventional THP and its variants simply adopt initial sinusoid embedding in transformers, which shows performance sensitivity to temporal change or noise in sequence data analysis by our empirical study. To deal with the problems, we propose a new Rotary Position Embedding-based THP (RoTHP) architecture in this paper. Notably, we show the translation invariance property and {sequence prediction flexibility} of our RoTHP induced by the {relative time embeddings} when coupled with Hawkes process theoretically. Furthermore, we demonstrate empirically that our RoTHP can be better generalized in sequence data scenarios with timestamp translations and in sequence prediction tasks.
Authors: Kexin Jiang, Chuhan Wu, Yaoran Chen
Abstract: Time series prediction is a fundamental problem in scientific exploration and artificial intelligence (AI) technologies have substantially bolstered its efficiency and accuracy. A well-established paradigm in AI-driven time series prediction is injecting physical knowledge into neural networks through signal decomposition methods, and sustaining progress in numerous scenarios has been reported. However, we uncover non-negligible evidence that challenges the effectiveness of signal decomposition in AI-based time series prediction. We confirm that improper dataset processing with subtle future label leakage is unfortunately widely adopted, possibly yielding abnormally superior but misleading results. By processing data in a strictly causal way without any future information, the effectiveness of additional decomposed signals diminishes. Our work probably identifies an ingrained and universal error in time series modeling, and the de facto progress in relevant areas is expected to be revisited and calibrated to prevent future scientific detours and minimize practical losses.
Authors: Wankang Zhai
Abstract: Survival prediction is an important branch of cancer prognosis analysis. The model that predicts survival risk through TCGA genomics data can discover genes related to cancer and provide diagnosis and treatment recommendations based on patient characteristics. We found that deep learning models based on Cox proportional hazards often suffer from overfitting when dealing with high-throughput data. Moreover, we found that as the number of network layers increases, the experimental results will not get better, and network degradation will occur. Based on this problem, we propose a new framework based on Deep Residual Learning. Combine the ideas of Cox proportional hazards and Residual. And name it ResSurv. First, ResSurv is a feed-forward deep learning network stacked by multiple basic ResNet Blocks. In each ResNet Block, we add a Normalization Layer to prevent gradient disappearance and gradient explosion. Secondly, for the loss function of the neural network, we inherited the Cox proportional hazards methods, applied the semi-parametric of the CPH model to the neural network, combined with the partial likelihood model, established the loss function, and performed backpropagation and gradient update. Finally, we compared ResSurv networks of different depths and found that we can effectively extract high-dimensional features. Ablation experiments and comparative experiments prove that our model has reached SOTA(state of the art) in the field of deep learning, and our network can effectively extract deep information.
Authors: Yumeng Shao, Jun Li, Long Shi, Kang Wei, Ming Ding, Qianmu Li, Zengxiang Li, Wen Chen, Shi Jin
Abstract: Conventional synchronous federated learning (SFL) frameworks suffer from performance degradation in heterogeneous systems due to imbalanced local data size and diverse computing power on the client side. To address this problem, asynchronous FL (AFL) and semi-asynchronous FL have been proposed to recover the performance loss by allowing asynchronous aggregation. However, asynchronous aggregation incurs a new problem of inconsistency between local updates and global updates. Motivated by the issues of conventional SFL and AFL, we first propose a time-driven SFL (T-SFL) framework for heterogeneous systems. The core idea of T-SFL is that the server aggregates the models from different clients, each with varying numbers of iterations, at regular time intervals. To evaluate the learning performance of T-SFL, we provide an upper bound on the global loss function. Further, we optimize the aggregation weights to minimize the developed upper bound. Then, we develop a discriminative model selection (DMS) algorithm that removes local models from clients whose number of iterations falls below a predetermined threshold. In particular, this algorithm ensures that each client's aggregation weight accurately reflects its true contribution to the global model update, thereby improving the efficiency and robustness of the system. To validate the effectiveness of T-SFL with the DMS algorithm, we conduct extensive experiments using several popular datasets including MNIST, Cifar-10, Fashion-MNIST, and SVHN. The experimental results demonstrate that T-SFL with the DMS algorithm can reduce the latency of conventional SFL by 50\%, while achieving an average 3\% improvement in learning accuracy over state-of-the-art AFL algorithms.
Authors: Yuchang Zhu, Jintang Li, Zibin Zheng, Liang Chen
Abstract: Group fairness for Graph Neural Networks (GNNs), which emphasizes algorithmic decisions neither favoring nor harming certain groups defined by sensitive attributes (e.g., race and gender), has gained considerable attention. In particular, the objective of group fairness is to ensure that the decisions made by GNNs are independent of the sensitive attribute. To achieve this objective, most existing approaches involve eliminating sensitive attribute information in node representations or algorithmic decisions. However, such ways may also eliminate task-related information due to its inherent correlation with the sensitive attribute, leading to a sacrifice in utility. In this work, we focus on improving the fairness of GNNs while preserving task-related information and propose a fair GNN framework named FairSAD. Instead of eliminating sensitive attribute information, FairSAD enhances the fairness of GNNs via Sensitive Attribute Disentanglement (SAD), which separates the sensitive attribute-related information into an independent component to mitigate its impact. Additionally, FairSAD utilizes a channel masking mechanism to adaptively identify the sensitive attribute-related component and subsequently decorrelates it. Overall, FairSAD minimizes the impact of the sensitive attribute on GNN outcomes rather than eliminating sensitive attributes, thereby preserving task-related information associated with the sensitive attribute. Furthermore, experiments conducted on several real-world datasets demonstrate that FairSAD outperforms other state-of-the-art methods by a significant margin in terms of both fairness and utility performance. Our source code is available at https://github.com/ZzoomD/FairSAD.
Authors: Soner Aydin, Sinan Yildirim
Abstract: We propose a novel Bayesian approach for the adaptive and online estimation of the frequency distribution of a finite number of categories under the local differential privacy (LDP) framework. The proposed algorithm performs Bayesian parameter estimation via posterior sampling and adapts the randomization mechanism for LDP based on the obtained posterior samples. We propose a randomized mechanism for LDP which uses a subset of categories as an input and whose performance depends on the selected subset and the true frequency distribution. By using the posterior sample as an estimate of the frequency distribution, the algorithm performs a computationally tractable subset selection step to maximize the utility of the privatized response of the next user. We propose several utility functions related to well-known information metrics, such as (but not limited to) Fisher information matrix, total variation distance, and information entropy. We compare each of these utility metrics in terms of their computational complexity. We employ stochastic gradient Langevin dynamics for posterior sampling, a computationally efficient approximate Markov chain Monte Carlo method. We provide a theoretical analysis showing that (i) the posterior distribution targeted by the algorithm converges to the true parameter even for approximate posterior sampling, and (ii) the algorithm selects the optimal subset with high probability if posterior sampling is performed exactly. We also provide numerical results that empirically demonstrate the estimation accuracy of our algorithm where we compare it with nonadaptive and semi-adaptive approaches under experimental settings with various combinations of privacy parameters and population distribution parameters.
Authors: Zexue Wu, Yifeng Gong, Aoqian Zhang
Abstract: We utilized the Mamba model for time series data prediction tasks, and the experimental results indicate that our model performs well.
Authors: Danilo Comminiello, Eleonora Grassucci, Danilo P. Mandic, Aurelio Uncini
Abstract: Hypercomplex algebras have recently been gaining prominence in the field of deep learning owing to the advantages of their division algebras over real vector spaces and their superior results when dealing with multidimensional signals in real-world 3D and 4D paradigms. This paper provides a foundational framework that serves as a roadmap for understanding why hypercomplex deep learning methods are so successful and how their potential can be exploited. Such a theoretical framework is described in terms of inductive bias, i.e., a collection of assumptions, properties, and constraints that are built into training algorithms to guide their learning process toward more efficient and accurate solutions. We show that it is possible to derive specific inductive biases in the hypercomplex domains, which extend complex numbers to encompass diverse numbers and data structures. These biases prove effective in managing the distinctive properties of these domains, as well as the complex structures of multidimensional and multimodal signals. This novel perspective for hypercomplex deep learning promises to both demystify this class of methods and clarify their potential, under a unifying framework, and in this way promotes hypercomplex models as viable alternatives to traditional real-valued deep learning for multidimensional signal processing.
Authors: Wankang Zhai, Yuhan Wang
Abstract: Understanding the dynamics of momentum and game fluctuation in tennis matches is cru-cial for predicting match outcomes and enhancing player performance. In this study, we present a comprehensive analysis of these factors using a dataset from the 2023 Wimbledon final. Ini-tially, we develop a sliding-window-based scoring model to assess player performance, ac-counting for the influence of serving dominance through a serve decay factor. Additionally, we introduce a novel approach, Lasso-Ridge-based XGBoost, to quantify momentum effects, lev-eraging the predictive power of XGBoost while mitigating overfitting through regularization. Through experimentation, we achieve an accuracy of 94% in predicting match outcomes, iden-tifying key factors influencing winning rates. Subsequently, we propose a Derivative of the winning rate algorithm to quantify game fluctuation, employing an LSTM_Deep model to pre-dict fluctuation scores. Our model effectively captures temporal correlations in momentum fea-tures, yielding mean squared errors ranging from 0.036 to 0.064. Furthermore, we explore me-ta-learning using MAML to transfer our model to predict outcomes in ping-pong matches, though results indicate a comparative performance decline. Our findings provide valuable in-sights into momentum dynamics and game fluctuation, offering implications for sports analytics and player training strategies.
Authors: Peter Tino, Robert Simon Fong, Roberto Fabio Leonarduzzi
Abstract: This work proposes a time series prediction method based on the kernel view of linear reservoirs. In particular, the time series motifs of the reservoir kernel are used as representational basis on which general readouts are constructed. We provide a geometric interpretation of our approach shedding light on how our approach is related to the core reservoir models and in what way the two approaches differ. Empirical experiments then compare predictive performances of our suggested model with those of recent state-of-art transformer based models, as well as the established recurrent network model - LSTM. The experiments are performed on both univariate and multivariate time series and with a variety of prediction horizons. Rather surprisingly we show that even when linear readout is employed, our method has the capacity to outperform transformer models on univariate time series and attain competitive results on multivariate benchmark datasets. We conclude that simple models with easily controllable capacity but capturing enough memory and subsequence structure can outperform potentially over-complicated deep learning models. This does not mean that reservoir motif based models are preferable to other more complex alternatives - rather, when introducing a new complex time series model one should employ as a sanity check simple, but potentially powerful alternatives/baselines such as reservoir models or the models introduced here.
Authors: Zeng Wang, Lilas Alrahis, Likhitha Mankali, Johann Knechtel, Ozgur Sinanoglu
Abstract: Chip design is about to be revolutionized by the integration of large language, multimodal, and circuit models (collectively LxMs). While exploring this exciting frontier with tremendous potential, the community must also carefully consider the related security risks and the need for building trust into using LxMs for chip design. First, we review the recent surge of using LxMs for chip design in general. We cover state-of-the-art works for the automation of hardware description language code generation and for scripting and guidance of essential but cumbersome tasks for electronic design automation tools, e.g., design-space exploration, tuning, or designer training. Second, we raise and provide initial answers to novel research questions on critical issues for security and trustworthiness of LxM-powered chip design from both the attack and defense perspectives.
Authors: Rixin Yu, Erdzan Hodzic, Karl-Johan Nogenmyr
Abstract: Recent advancements in the integration of artificial intelligence (AI) and machine learning (ML) with physical sciences have led to significant progress in addressing complex phenomena governed by nonlinear partial differential equations (PDE). This paper explores the application of novel operator learning methodologies to unravel the intricate dynamics of flame instability, particularly focusing on hybrid instabilities arising from the coexistence of Darrieus-Landau (DL) and Diffusive-Thermal (DT) mechanisms. Training datasets encompass a wide range of parameter configurations, enabling the learning of parametric solution advancement operators using techniques such as parametric Fourier Neural Operator (pFNO), and parametric convolutional neural networks (pCNN). Results demonstrate the efficacy of these methods in accurately predicting short-term and long-term flame evolution across diverse parameter regimes, capturing the characteristic behaviors of pure and blended instabilities. Comparative analyses reveal pFNO as the most accurate model for learning short-term solutions, while all models exhibit robust performance in capturing the nuanced dynamics of flame evolution. This research contributes to the development of robust modeling frameworks for understanding and controlling complex physical processes governed by nonlinear PDE.
Authors: M. Sajid, Rahul Sharma, Iman Beheshti, M. Tanveer
Abstract: The timely identification of significant memory concern (SMC) is crucial for proactive cognitive health management, especially in an aging population. Detecting SMC early enables timely intervention and personalized care, potentially slowing cognitive disorder progression. This study presents a state-of-the-art review followed by a comprehensive evaluation of machine learning models within the randomized neural networks (RNNs) and hyperplane-based classifiers (HbCs) family to investigate SMC diagnosis thoroughly. Utilizing the Alzheimer's Disease Neuroimaging Initiative 2 (ADNI2) dataset, 111 individuals with SMC and 111 healthy older adults are analyzed based on T1W magnetic resonance imaging (MRI) scans, extracting rich features. This analysis is based on baseline structural MRI (sMRI) scans, extracting rich features from gray matter (GM), white matter (WM), Jacobian determinant (JD), and cortical thickness (CT) measurements. In RNNs, deep random vector functional link (dRVFL) and ensemble dRVFL (edRVFL) emerge as the best classifiers in terms of performance metrics in the identification of SMC. In HbCs, Kernelized pinball general twin support vector machine (Pin-GTSVM-K) excels in CT and WM features, whereas Linear Pin-GTSVM (Pin-GTSVM-L) and Linear intuitionistic fuzzy TSVM (IFTSVM-L) performs well in the JD and GM features sets, respectively. This comprehensive evaluation emphasizes the critical role of feature selection and model choice in attaining an effective classifier for SMC diagnosis. The inclusion of statistical analyses further reinforces the credibility of the results, affirming the rigor of this analysis. The performance measures exhibit the suitability of this framework in aiding researchers with the automated and accurate assessment of SMC. The source codes of the algorithms and datasets used in this study are available at https://github.com/mtanveer1/SMC.
Authors: Donglin Zhan, James Anderson
Abstract: Meta-learning methods typically learn tasks under the assumption that all tasks are equally important. However, this assumption is often not valid. In real-world applications, tasks can vary both in their importance during different training stages and in whether they contain noisy labeled data or not, making a uniform approach suboptimal. To address these issues, we propose the Data-Efficient and Robust Task Selection (DERTS) algorithm, which can be incorporated into both gradient and metric-based meta-learning algorithms. DERTS selects weighted subsets of tasks from task pools by minimizing the approximation error of the full gradient of task pools in the meta-training stage. The selected tasks are efficient for rapid training and robust towards noisy label scenarios. Unlike existing algorithms, DERTS does not require any architecture modification for training and can handle noisy label data in both the support and query sets. Analysis of DERTS shows that the algorithm follows similar training dynamics as learning on the full task pools. Experiments show that DERTS outperforms existing sampling strategies for meta-learning on both gradient-based and metric-based meta-learning algorithms in limited data budget and noisy task settings.
Authors: Katsiaryna Haitsiukevich, Onur Poyraz, Pekka Marttinen, Alexander Ilin
Abstract: This paper explores the efficacy of diffusion-based generative models as neural operators for partial differential equations (PDEs). Neural operators are neural networks that learn a mapping from the parameter space to the solution space of PDEs from data, and they can also solve the inverse problem of estimating the parameter from the solution. Diffusion models excel in many domains, but their potential as neural operators has not been thoroughly explored. In this work, we show that diffusion-based generative models exhibit many properties favourable for neural operators, and they can effectively generate the solution of a PDE conditionally on the parameter or recover the unobserved parts of the system. We propose to train a single model adaptable to multiple tasks, by alternating between the tasks during training. In our experiments with multiple realistic dynamical systems, diffusion models outperform other neural operators. Furthermore, we demonstrate how the probabilistic diffusion model can elegantly deal with systems which are only partially identifiable, by producing samples corresponding to the different possible solutions.
Authors: Thomas Chen, Patricia Mu\~noz Ewald
Abstract: We explicitly construct zero loss neural network classifiers. We write the weight matrices and bias vectors in terms of cumulative parameters, which determine truncation maps acting recursively on input space. The configurations for the training data considered are (i) sufficiently small, well separated clusters corresponding to each class, and (ii) equivalence classes which are sequentially linearly separable. In the best case, for $Q$ classes of data in $\mathbb{R}^M$, global minimizers can be described with $Q(M+2)$ parameters.
Authors: Abishek Sriramulu, Christoph Bergmeir, Slawek Smyl
Abstract: Real-world time series often exhibit complex interdependencies that cannot be captured in isolation. Global models that model past data from multiple related time series globally while producing series-specific forecasts locally are now common. However, their forecasts for each individual series remain isolated, failing to account for the current state of its neighbouring series. Multivariate models like multivariate attention and graph neural networks can explicitly incorporate inter-series information, thus addressing the shortcomings of global models. However, these techniques exhibit quadratic complexity per timestep, limiting scalability. This paper introduces the Context Neural Network, an efficient linear complexity approach for augmenting time series models with relevant contextual insights from neighbouring time series without significant computational overhead. The proposed method enriches predictive models by providing the target series with real-time information from its neighbours, addressing the limitations of global models, yet remaining computationally tractable for large datasets.
Authors: Sayeh Sharify, Zifei Xu, Wanzin Yazar, Xin Wang
Abstract: Large Language Models (LLMs) have distinguished themselves with outstanding performance in complex language modeling tasks, yet they come with significant computational and storage challenges. This paper explores the potential of quantization to mitigate these challenges. We systematically study the combined application of two well-known post-training techniques, SmoothQuant and GPTQ, and provide a comprehensive analysis of their interactions and implications for advancing LLM quantization. We enhance the versatility of both techniques by enabling quantization to microscaling (MX) formats, expanding their applicability beyond their initial fixed-point format targets. We show that by applying GPTQ and SmoothQuant, and employing MX formats for quantizing models, we can achieve a significant reduction in the size of OPT models by up to 4x and LLaMA models by up to 3x with a negligible perplexity increase of 1-3%.
Authors: Xinyuan Zhang, Jiang Liu, Zehui Xiong, Yudong Huang, Gaochang Xie, Ran Zhang
Abstract: Generative Artificial Intelligence (GAI) is taking the world by storm with its unparalleled content creation ability. Large Language Models (LLMs) are at the forefront of this movement. However, the significant resource demands of LLMs often require cloud hosting, which raises issues regarding privacy, latency, and usage limitations. Although edge intelligence has long been utilized to solve these challenges by enabling real-time AI computation on ubiquitous edge resources close to data sources, most research has focused on traditional AI models and has left a gap in addressing the unique characteristics of LLM inference, such as considerable model size, auto-regressive processes, and self-attention mechanisms. In this paper, we present an edge intelligence optimization problem tailored for LLM inference. Specifically, with the deployment of the batching technique and model quantization on resource-limited edge devices, we formulate an inference model for transformer decoder-based LLMs. Furthermore, our approach aims to maximize the inference throughput via batch scheduling and joint allocation of communication and computation resources, while also considering edge resource constraints and varying user requirements of latency and accuracy. To address this NP-hard problem, we develop an optimal Depth-First Tree-Searching algorithm with online tree-Pruning (DFTSP) that operates within a feasible time complexity. Simulation results indicate that DFTSP surpasses other batching benchmarks in throughput across diverse user settings and quantization techniques, and it reduces time complexity by over 45% compared to the brute-force searching method.
Authors: Weiwei Weng, Mahardhika Pratama, Jie Zhang, Chen Chen, Edward Yapp Kien Yee, Ramasamy Savitha
Abstract: Artificial neural networks, celebrated for their human-like cognitive learning abilities, often encounter the well-known catastrophic forgetting (CF) problem, where the neural networks lose the proficiency in previously acquired knowledge. Despite numerous efforts to mitigate CF, it remains the significant challenge particularly in complex changing environments. This challenge is even more pronounced in cross-domain adaptation following the continual learning (CL) setting, which is a more challenging and realistic scenario that is under-explored. To this end, this article proposes a cross-domain CL approach making possible to deploy a single model in such environments without additional labelling costs. Our approach, namely continual learning approach for many processes (CLAMP), integrates a class-aware adversarial domain adaptation strategy to align a source domain and a target domain. An assessor-guided learning process is put forward to navigate the learning process of a base model assigning a set of weights to every sample controlling the influence of every sample and the interactions of each loss function in such a way to balance the stability and plasticity dilemma thus preventing the CF problem. The first assessor focuses on the negative transfer problem rejecting irrelevant samples of the source domain while the second assessor prevents noisy pseudo labels of the target domain. Both assessors are trained in the meta-learning approach using random transformation techniques and similar samples of the source domain. Theoretical analysis and extensive numerical validations demonstrate that CLAMP significantly outperforms established baseline algorithms across all experiments by at least $10\%$ margin.
Authors: Mario Chahoud, Hani Sami, Azzam Mourad, Hadi Otrok, Jamal Bentahar, Mohsen Guizani
Abstract: In Federated Learning (FL), the limited accessibility of data from diverse locations and user types poses a significant challenge due to restricted user participation. Expanding client access and diversifying data enhance models by incorporating diverse perspectives, thereby enhancing adaptability. However, challenges arise in dynamic and mobile environments where certain devices may become inaccessible as FL clients, impacting data availability and client selection methods. To address this, we propose an On-Demand solution, deploying new clients using Docker Containers on-the-fly. Our On-Demand solution, employing Deep Reinforcement Learning (DRL), targets client availability and selection, while considering data shifts, and container deployment complexities. It employs an autonomous end-to-end solution for handling model deployment and client selection. The DRL strategy uses a Markov Decision Process (MDP) framework, with a Master Learner and a Joiner Learner. The designed cost functions represent the complexity of the dynamic client deployment and selection. Simulated tests show that our architecture can easily adjust to changes in the environment and respond to On-Demand requests. This underscores its ability to improve client availability, capability, accuracy, and learning efficiency, surpassing heuristic and tabular reinforcement learning solutions.
Authors: Sidharth SS
Abstract: Accurate approximation of complex nonlinear functions is a fundamental challenge across many scientific and engineering domains. Traditional neural network architectures often struggle to capture intricate patterns and irregularities present in high-dimensional functions. This paper introduces the Chebyshev Kolmogorov-Arnold Network (Chebyshev KAN), a novel approach that combines the theoretical foundations of the Kolmogorov-Arnold Theorem with the powerful approximation capabilities of Chebyshev polynomials. 1
Authors: Inwoo Hwang, Yunhyeok Kwak, Yeon-Ji Song, Byoung-Tak Zhang, Sanghack Lee
Abstract: Conditional independence provides a way to understand causal relationships among the variables of interest. An underlying system may exhibit more fine-grained causal relationships especially between a variable and its parents, which will be called the local independence relationships. One of the most widely studied local relationships is Context-Specific Independence (CSI), which holds in a specific assignment of conditioned variables. However, its applicability is often limited since it does not allow continuous variables: data conditioned to the specific value of a continuous variable contains few instances, if not none, making it infeasible to test independence. In this work, we define and characterize the local independence relationship that holds in a specific set of joint assignments of parental variables, which we call context-set specific independence (CSSI). We then provide a canonical representation of CSSI and prove its fundamental properties. Based on our theoretical findings, we cast the problem of discovering multiple CSSI relationships in a system as finding a partition of the joint outcome space. Finally, we propose a novel method, coined neural contextual decomposition (NCD), which learns such partition by imposing each set to induce CSSI via modeling a conditional distribution. We empirically demonstrate that the proposed method successfully discovers the ground truth local independence relationships in both synthetic dataset and complex system reflecting the real-world physical dynamics.
Authors: Changhong Wang, Xudong Yu, Chenjia Bai, Qiaosheng Zhang, Zhen Wang
Abstract: In Reinforcement Learning (RL), training a policy from scratch with online experiences can be inefficient because of the difficulties in exploration. Recently, offline RL provides a promising solution by giving an initialized offline policy, which can be refined through online interactions. However, existing approaches primarily perform offline and online learning in the same task, without considering the task generalization problem in offline-to-online adaptation. In real-world applications, it is common that we only have an offline dataset from a specific task while aiming for fast online-adaptation for several tasks. To address this problem, our work builds upon the investigation of successor representations for task generalization in online RL and extends the framework to incorporate offline-to-online learning. We demonstrate that the conventional paradigm using successor features cannot effectively utilize offline data and improve the performance for the new task by online fine-tuning. To mitigate this, we introduce a novel methodology that leverages offline data to acquire an ensemble of successor representations and subsequently constructs ensemble Q functions. This approach enables robust representation learning from datasets with different coverage and facilitates fast adaption of Q functions towards new tasks during the online fine-tuning phase. Extensive empirical evaluations provide compelling evidence showcasing the superior performance of our method in generalizing to diverse or even unseen tasks.
Authors: Bin Lu, Ze Zhao, Luyu Han, Xiaoying Gan, Yuntao Zhou, Lei Zhou, Luoyi Fu, Xinbing Wang, Chenghu Zhou, Jing Zhang
Abstract: Accurately reconstructing the global ocean deoxygenation over a century is crucial for assessing and protecting marine ecosystem. Existing expert-dominated numerical simulations fail to catch up with the dynamic variation caused by global warming and human activities. Besides, due to the high-cost data collection, the historical observations are severely sparse, leading to big challenge for precise reconstruction. In this work, we propose OxyGenerator, the first deep learning based model, to reconstruct the global ocean deoxygenation from 1920 to 2023. Specifically, to address the heterogeneity across large temporal and spatial scales, we propose zoning-varying graph message-passing to capture the complex oceanographic correlations between missing values and sparse observations. Additionally, to further calibrate the uncertainty, we incorporate inductive bias from dissolved oxygen (DO) variations and chemical effects. Compared with in-situ DO observations, OxyGenerator significantly outperforms CMIP6 numerical simulations, reducing MAPE by 38.77%, demonstrating a promising potential to understand the "breathless ocean" in data-driven manner.
Authors: Guillaume Pourcel, Mirko Goldmann, Ingo Fischer, Miguel C. Soriano
Abstract: Recurrent Neural Networks excel at predicting and generating complex high-dimensional temporal patterns. Due to their inherent nonlinear dynamics and memory, they can learn unbounded temporal dependencies from data. In a Machine Learning setting, the network's parameters are adapted during a training phase to match the requirements of a given task/problem increasing its computational capabilities. After the training, the network parameters are kept fixed to exploit the learned computations. The static parameters thereby render the network unadaptive to changing conditions, such as external or internal perturbation. In this manuscript, we demonstrate how keeping parts of the network adaptive even after the training enhances its functionality and robustness. Here, we utilize the conceptor framework and conceptualize an adaptive control loop analyzing the network's behavior continuously and adjusting its time-varying internal representation to follow a desired target. We demonstrate how the added adaptivity of the network supports the computational functionality in three distinct tasks: interpolation of temporal patterns, stabilization against partial network degradation, and robustness against input distortion. Our results highlight the potential of adaptive networks in machine learning beyond training, enabling them to not only learn complex patterns but also dynamically adjust to changing environments, ultimately broadening their applicability.
Authors: Shlomi Vituri, Meir Feder
Abstract: In this paper we consider the problem of universal {\em batch} learning in a misspecification setting with log-loss. In this setting the hypothesis class is a set of models $\Theta$. However, the data is generated by an unknown distribution that may not belong to this set but comes from a larger set of models $\Phi \supset \Theta$. Given a training sample, a universal learner is requested to predict a probability distribution for the next outcome and a log-loss is incurred. The universal learner performance is measured by the regret relative to the best hypothesis matching the data, chosen from $\Theta$. Utilizing the minimax theorem and information theoretical tools, we derive the optimal universal learner, a mixture over the set of the data generating distributions, and get a closed form expression for the min-max regret. We show that this regret can be considered as a constrained version of the conditional capacity between the data and its generating distributions set. We present tight bounds for this min-max regret, implying that the complexity of the problem is dominated by the richness of the hypotheses models $\Theta$ and not by the data generating distributions set $\Phi$. We develop an extension to the Arimoto-Blahut algorithm for numerical evaluation of the regret and its capacity achieving prior distribution. We demonstrate our results for the case where the observations come from a $K$-parameters multinomial distributions while the hypothesis class $\Theta$ is only a subset of this family of distributions.
Authors: Xiang Li, Jian Song, Zhigang Zhao, Chunxiao Wang, Dawei Song, Bin Hu
Abstract: This study introduces a novel Supervised Info-enhanced Contrastive Learning framework for EEG based Emotion Recognition (SICLEER). SI-CLEER employs multi-granularity contrastive learning to create robust EEG contextual representations, potentiallyn improving emotion recognition effectiveness. Unlike existing methods solely guided by classification loss, we propose a joint learning model combining self-supervised contrastive learning loss and supervised classification loss. This model optimizes both loss functions, capturing subtle EEG signal differences specific to emotion detection. Extensive experiments demonstrate SI-CLEER's robustness and superior accuracy on the SEED dataset compared to state-of-the-art methods. Furthermore, we analyze electrode performance, highlighting the significance of central frontal and temporal brain region EEGs in emotion detection. This study offers an universally applicable approach with potential benefits for diverse EEG classification tasks.
Authors: Mayank Bakshi, Sara Ghasvarianjahromi, Yauhen Yakimenka, Allison Beemer, Oliver Kosut, Joerg Kliewer
Abstract: We introduce the paradigm of validated decentralized learning for undirected networks with heterogeneous data and possible adversarial infiltration. We require (a) convergence to a global empirical loss minimizer when adversaries are absent, and (b) either detection of adversarial presence of convergence to an admissible consensus irrespective of the adversarial configuration. To this end, we propose the VALID protocol which, to the best of our knowledge, is the first to achieve a validated learning guarantee. Moreover, VALID offers an O(1/T) convergence rate (under pertinent regularity assumptions), and computational and communication complexities comparable to non-adversarial distributed stochastic gradient descent. Remarkably, VALID retains optimal performance metrics in adversary-free environments, sidestepping the robustness penalties observed in prior byzantine-robust methods. A distinctive aspect of our study is a heterogeneity metric based on the norms of individual agents' gradients computed at the global empirical loss minimizer. This not only provides a natural statistic for detecting significant byzantine disruptions but also allows us to prove the optimality of VALID in wide generality. Lastly, our numerical results reveal that, in the absence of adversaries, VALID converges faster than state-of-the-art byzantine robust algorithms, while when adversaries are present, VALID terminates with each honest either converging to an admissible consensus of declaring adversarial presence in the network.
Authors: Zixin Wang, Kongyang Chen
Abstract: Machine unlearning is a complex process that necessitates the model to diminish the influence of the training data while keeping the loss of accuracy to a minimum. Despite the numerous studies on machine unlearning in recent years, the majority of them have primarily focused on supervised learning models, leaving research on contrastive learning models relatively underexplored. With the conviction that self-supervised learning harbors a promising potential, surpassing or rivaling that of supervised learning, we set out to investigate methods for machine unlearning centered around contrastive learning models. In this study, we introduce a novel gradient constraint-based approach for training the model to effectively achieve machine unlearning. Our method only necessitates a minimal number of training epochs and the identification of the data slated for unlearning. Remarkably, our approach demonstrates proficient performance not only on contrastive learning models but also on supervised learning models, showcasing its versatility and adaptability in various learning paradigms.
Authors: Carter Blair, Ben Armstrong, Kate Larson
Abstract: Continual learning aims to enable machine learning models to continually learn from a shifting data distribution without forgetting what has already been learned. Such shifting distributions can be broken into disjoint subsets of related examples; by training each member of an ensemble on a different subset it is possible for the ensemble as a whole to achieve much higher accuracy with less forgetting than a naive model. We address the problem of selecting which models within an ensemble should learn on any given data, and which should predict. By drawing on work from delegative voting we develop an algorithm for using delegation to dynamically select which models in an ensemble are active. We explore a variety of delegation methods and performance metrics, ultimately finding that delegation is able to provide a significant performance boost over naive learning in the face of distribution shifts.
Authors: Kan Xu, Hamsa Bastani, Surbhi Goel, Osbert Bastani
Abstract: We study the stochastic bandit problem with ReLU neural network structure. We show that a $\tilde{O}(\sqrt{T})$ regret guarantee is achievable by considering bandits with one-layer ReLU neural networks; to the best of our knowledge, our work is the first to achieve such a guarantee. In this specific setting, we propose an OFU-ReLU algorithm that can achieve this upper bound. The algorithm first explores randomly until it reaches a linear regime, and then implements a UCB-type linear bandit algorithm to balance exploration and exploitation. Our key insight is that we can exploit the piecewise linear structure of ReLU activations and convert the problem into a linear bandit in a transformed feature space, once we learn the parameters of ReLU relatively accurately during the exploration stage. To remove dependence on model parameters, we design an OFU-ReLU+ algorithm based on a batching strategy, which can provide the same theoretical guarantee.
Authors: Remi Genet, Hugo Inzirillo
Abstract: Recurrent Neural Networks (RNNs) have revolutionized many areas of machine learning, particularly in natural language and data sequence processing. Long Short-Term Memory (LSTM) has demonstrated its ability to capture long-term dependencies in sequential data. Inspired by the Kolmogorov-Arnold Networks (KANs) a promising alternatives to Multi-Layer Perceptrons (MLPs), we proposed a new neural networks architecture inspired by KAN and the LSTM, the Temporal Kolomogorov-Arnold Networks (TKANs). TKANs combined the strenght of both networks, it is composed of Recurring Kolmogorov-Arnold Networks (RKANs) Layers embedding memory management. This innovation enables us to perform multi-step time series forecasting with enhanced accuracy and efficiency. By addressing the limitations of traditional models in handling complex sequential patterns, the TKAN architecture offers significant potential for advancements in fields requiring more than one step ahead forecasting.
Authors: Antonio Malpica-Morales, Miguel A. Duran-Olivencia, Serafim Kalliadasis
Abstract: Accurate prediction of electricity day-ahead prices is essential in competitive electricity markets. Although stationary electricity-price forecasting techniques have received considerable attention, research on non-stationary methods is comparatively scarce, despite the common prevalence of non-stationary features in electricity markets. Specifically, existing non-stationary techniques will often aim to address individual non-stationary features in isolation, leaving aside the exploration of concurrent multiple non-stationary effects. Our overarching objective here is the formulation of a framework to systematically model and forecast non-stationary electricity-price time series, encompassing the broader scope of non-stationary behavior. For this purpose we develop a data-driven model that combines an N-dimensional Langevin equation (LE) with a neural-ordinary differential equation (NODE). The LE captures fine-grained details of the electricity-price behavior in stationary regimes but is inadequate for non-stationary conditions. To overcome this inherent limitation, we adopt a NODE approach to learn, and at the same time predict, the difference between the actual electricity-price time series and the simulated price trajectories generated by the LE. By learning this difference, the NODE reconstructs the non-stationary components of the time series that the LE is not able to capture. We exemplify the effectiveness of our framework using the Spanish electricity day-ahead market as a prototypical case study. Our findings reveal that the NODE nicely complements the LE, providing a comprehensive strategy to tackle both stationary and non-stationary electricity-price behavior. The framework's dependability and robustness is demonstrated through different non-stationary scenarios by comparing it against a range of basic naive methods.
Authors: Shi-ang Qi, Yakun Yu, Russell Greiner
Abstract: Discrimination and calibration represent two important properties of survival analysis, with the former assessing the model's ability to accurately rank subjects and the latter evaluating the alignment of predicted outcomes with actual events. With their distinct nature, it is hard for survival models to simultaneously optimize both of them especially as many previous results found improving calibration tends to diminish discrimination performance. This paper introduces a novel approach utilizing conformal regression that can improve a model's calibration without degrading discrimination. We provide theoretical guarantees for the above claim, and rigorously validate the efficiency of our approach across 11 real-world datasets, showcasing its practical applicability and robustness in diverse scenarios.
Authors: Kareem Ahmed, Stefano Teso, Paolo Morettin, Luca Di Liello, Pierfrancesco Ardino, Jacopo Gobbi, Yitao Liang, Eric Wang, Kai-Wei Chang, Andrea Passerini, Guy Van den Broeck
Abstract: Structured output prediction problems are ubiquitous in machine learning. The prominent approach leverages neural networks as powerful feature extractors, otherwise assuming the independence of the outputs. These outputs, however, jointly encode an object, e.g. a path in a graph, and are therefore related through the structure underlying the output space. We discuss the semantic loss, which injects knowledge about such structure, defined symbolically, into training by minimizing the network's violation of such dependencies, steering the network towards predicting distributions satisfying the underlying structure. At the same time, it is agnostic to the arrangement of the symbols, and depends only on the semantics expressed thereby, while also enabling efficient end-to-end training and inference. We also discuss key improvements and applications of the semantic loss. One limitations of the semantic loss is that it does not exploit the association of every data point with certain features certifying its membership in a target class. We should therefore prefer minimum-entropy distributions over valid structures, which we obtain by additionally minimizing the neuro-symbolic entropy. We empirically demonstrate the benefits of this more refined formulation. Moreover, the semantic loss is designed to be modular and can be combined with both discriminative and generative neural models. This is illustrated by integrating it into generative adversarial networks, yielding constrained adversarial networks, a novel class of deep generative models able to efficiently synthesize complex objects obeying the structure of the underlying domain.
Authors: Meiyu Zhong, Ravi Tandon
Abstract: With the growing adoption of machine learning (ML) systems in areas like law enforcement, criminal justice, finance, hiring, and admissions, it is increasingly critical to guarantee the fairness of decisions assisted by ML. In this paper, we study the tradeoff between fairness and accuracy under the statistical notion of equalized odds. We present a new upper bound on the accuracy (that holds for any classifier), as a function of the fairness budget. In addition, our bounds also exhibit dependence on the underlying statistics of the data, labels and the sensitive group attributes. We validate our theoretical upper bounds through empirical analysis on three real-world datasets: COMPAS, Adult, and Law School. Specifically, we compare our upper bound to the tradeoffs that are achieved by various existing fair classifiers in the literature. Our results show that achieving high accuracy subject to a low-bias could be fundamentally limited based on the statistical disparity across the groups.
Authors: Zijie Li, Anthony Zhou, Saurabh Patil, Amir Barati Farimani
Abstract: Accurate weather forecasting is crucial in various sectors, impacting decision-making processes and societal events. Data-driven approaches based on machine learning models have recently emerged as a promising alternative to numerical weather prediction models given their potential to capture physics of different scales from historical data and the significantly lower computational cost during the prediction stage. Renowned for its state-of-the-art performance across diverse domains, the Transformer model has also gained popularity in machine learning weather prediction. Yet applying Transformer architectures to weather forecasting, particularly on a global scale is computationally challenging due to the quadratic complexity of attention and the quadratic increase in spatial points as resolution increases. In this work, we propose a factorized-attention-based model tailored for spherical geometries to mitigate this issue. More specifically, it utilizes multi-dimensional factorized kernels that convolve over different axes where the computational complexity of the kernel is only quadratic to the axial resolution instead of overall resolution. The deterministic forecasting accuracy of the proposed model on $1.5^\circ$ and 0-7 days' lead time is on par with state-of-the-art purely data-driven machine learning weather prediction models. We also showcase the proposed model holds great potential to push forward the Pareto front of accuracy-efficiency for Transformer weather models, where it can achieve better accuracy with less computational cost compared to Transformer based models with standard attention.
Authors: Wenhua Yu, Bahareh Nakisa, Seng W. Loke, Svetlana Stevanovic, Yuming Guo, Mohammad Naim Rastgoo
Abstract: Exposure to poor indoor air quality poses significant health risks, necessitating thorough assessment to mitigate associated dangers. This study aims to predict hourly indoor fine particulate matter (PM2.5) concentrations and investigate their correlation with outdoor PM2.5 levels across 24 distinct buildings in Australia. Indoor air quality data were gathered from 91 monitoring sensors in eight Australian cities spanning 2019 to 2022. Employing an innovative three-stage deep ensemble machine learning framework (DEML), comprising three base models (Support Vector Machine, Random Forest, and eXtreme Gradient Boosting) and two meta-models (Random Forest and Generalized Linear Model), hourly indoor PM2.5 concentrations were predicted. The model's accuracy was evaluated using a rolling windows approach, comparing its performance against three benchmark algorithms (SVM, RF, and XGBoost). Additionally, a correlation analysis assessed the relationship between indoor and outdoor PM2.5 concentrations. Results indicate that the DEML model consistently outperformed benchmark models, achieving an R2 ranging from 0.63 to 0.99 and RMSE from 0.01 to 0.663 mg/m3 for most sensors. Notably, outdoor PM2.5 concentrations significantly impacted indoor air quality, particularly evident during events like bushfires. This study underscores the importance of accurate indoor air quality prediction, crucial for developing location-specific early warning systems and informing effective interventions. By promoting protective behaviors, these efforts contribute to enhanced public health outcomes.
Authors: Kyungeun Lee, Ye Seul Sim, Hye-Seung Cho, Moonjung Eo, Suhee Yoon, Sanghyu Yoon, Woohyung Lim
Abstract: The ability of deep networks to learn superior representations hinges on leveraging the proper inductive biases, considering the inherent properties of datasets. In tabular domains, it is critical to effectively handle heterogeneous features (both categorical and numerical) in a unified manner and to grasp irregular functions like piecewise constant functions. To address the challenges in the self-supervised learning framework, we propose a novel pretext task based on the classical binning method. The idea is straightforward: reconstructing the bin indices (either orders or classes) rather than the original values. This pretext task provides the encoder with an inductive bias to capture the irregular dependencies, mapping from continuous inputs to discretized bins, and mitigates the feature heterogeneity by setting all features to have category-type targets. Our empirical investigations ascertain several advantages of binning: capturing the irregular function, compatibility with encoder architecture and additional modifications, standardizing all features into equal sets, grouping similar values within a feature, and providing ordering information. Comprehensive evaluations across diverse tabular datasets corroborate that our method consistently improves tabular representation learning performance for a wide range of downstream tasks. The codes are available in https://github.com/kyungeun-lee/tabularbinning.
Authors: Adit Jain, Vikram Krishnamurthy
Abstract: This paper studies how a stochastic gradient algorithm (SG) can be controlled to hide the estimate of the local stationary point from an eavesdropper. Such problems are of significant interest in distributed optimization settings like federated learning and inventory management. A learner queries a stochastic oracle and incentivizes the oracle to obtain noisy gradient measurements and perform SG. The oracle probabilistically returns either a noisy gradient of the function} or a non-informative measurement, depending on the oracle state and incentive. The learner's query and incentive are visible to an eavesdropper who wishes to estimate the stationary point. This paper formulates the problem of the learner performing covert optimization by dynamically incentivizing the stochastic oracle and obfuscating the eavesdropper as a finite-horizon Markov decision process (MDP). Using conditions for interval-dominance on the cost and transition probability structure, we show that the optimal policy for the MDP has a monotone threshold structure. We propose searching for the optimal stationary policy with the threshold structure using a stochastic approximation algorithm and a multi-armed bandit approach. The effectiveness of our methods is numerically demonstrated on a covert federated learning hate-speech classification task.
Authors: Dane Sherburn, Bilal Chughtai, Owain Evans
Abstract: Large language models (LLMs) perform well at a myriad of tasks, but explaining the processes behind this performance is a challenge. This paper investigates whether LLMs can give faithful high-level explanations of their own internal processes. To explore this, we introduce a dataset, ArticulateRules, of few-shot text-based classification tasks generated by simple rules. Each rule is associated with a simple natural-language explanation. We test whether models that have learned to classify inputs competently (both in- and out-of-distribution) are able to articulate freeform natural language explanations that match their classification behavior. Our dataset can be used for both in-context and finetuning evaluations. We evaluate a range of LLMs, demonstrating that articulation accuracy varies considerably between models, with a particularly sharp increase from GPT-3 to GPT-4. We then investigate whether we can improve GPT-3's articulation accuracy through a range of methods. GPT-3 completely fails to articulate 7/10 rules in our test, even after additional finetuning on correct explanations. We release our dataset, ArticulateRules, which can be used to test self-explanation for LLMs trained either in-context or by finetuning.
Authors: Jesus Gonzalez-Sieiro, David Pardo, Vincenzo Nava, Victor M. Calo, Markus Towara
Abstract: We propose a method for reducing the spatial discretization error of coarse computational fluid dynamics (CFD) problems by enhancing the quality of low-resolution simulations using a deep learning model fed with high-quality data. We substitute the default differencing scheme for the convection term by a feed-forward neural network that interpolates velocities from cell centers to face values to produce velocities that approximate the fine-mesh data well. The deep learning framework incorporates the open-source CFD code OpenFOAM, resulting in an end-to-end differentiable model. We automatically differentiate the CFD physics using a discrete adjoint code version. We present a fast communication method between TensorFlow (Python) and OpenFOAM (c++) that accelerates the training process. We applied the model to the flow past a square cylinder problem, reducing the error to about 50% for simulations outside the training distribution compared to the traditional solver in the x- and y-velocity components using an 8x coarser mesh. The training is affordable in terms of time and data samples since the architecture exploits the local features of the physics while generating stable predictions for mid-term simulations.
Authors: Zakaria Abdellah Sellam, Cosimo Distante, Abdelmalik Taleb-Ahmed, Pier Luigi Mazzeo
Abstract: Evaluating house prices is crucial for various stakeholders, including homeowners, investors, and policymakers. However, traditional spatial interpolation methods have limitations in capturing the complex spatial relationships that affect property values. To address these challenges, we have developed a new method called Multi-Head Gated Attention for spatial interpolation. Our approach builds upon attention-based interpolation models and incorporates multiple attention heads and gating mechanisms to capture spatial dependencies and contextual information better. Importantly, our model produces embeddings that reduce the dimensionality of the data, enabling simpler models like linear regression to outperform complex ensembling models. We conducted extensive experiments to compare our model with baseline methods and the original attention-based interpolation model. The results show a significant improvement in the accuracy of house price predictions, validating the effectiveness of our approach. This research advances the field of spatial interpolation and provides a robust tool for more precise house price evaluation. Our GitHub repository.contains the data and code for all datasets, which are available for researchers and practitioners interested in replicating or building upon our work.
Authors: Aakash Tripathi, Asim Waqas, Yasin Yilmaz, Ghulam Rasool
Abstract: Developing accurate machine learning models for oncology requires large-scale, high-quality multimodal datasets. However, creating such datasets remains challenging due to the complexity and heterogeneity of medical data. To address this challenge, we introduce HoneyBee, a scalable modular framework for building multimodal oncology datasets that leverages foundational models to generate representative embeddings. HoneyBee integrates various data modalities, including clinical records, imaging data, and patient outcomes. It employs data preprocessing techniques and transformer-based architectures to generate embeddings that capture the essential features and relationships within the raw medical data. The generated embeddings are stored in a structured format using Hugging Face datasets and PyTorch dataloaders for accessibility. Vector databases enable efficient querying and retrieval for machine learning applications. We demonstrate the effectiveness of HoneyBee through experiments assessing the quality and representativeness of the embeddings. The framework is designed to be extensible to other medical domains and aims to accelerate oncology research by providing high-quality, machine learning-ready datasets. HoneyBee is an ongoing open-source effort, and the code, datasets, and models are available at the project repository.
Authors: Theodore Jerome Tinker, Kenji Doya, Jun Tani
Abstract: In Reinforcement Learning (RL), artificial agents are trained to maximize numerical rewards by performing tasks. Exploration is essential in RL because agents must discover information before exploiting it. Two rewards encouraging efficient exploration are the entropy of action policy and curiosity for information gain. Entropy is well-established in literature, promoting randomized action selection. Curiosity is defined in a broad variety of ways in literature, promoting discovery of novel experiences. One example, prediction error curiosity, rewards agents for discovering observations they cannot accurately predict. However, such agents may be distracted by unpredictable observational noises known as curiosity traps. Based on the Free Energy Principle (FEP), this paper proposes hidden state curiosity, which rewards agents by the KL divergence between the predictive prior and posterior probabilities of latent variables. We trained six types of agents to navigate mazes: baseline agents without rewards for entropy or curiosity, and agents rewarded for entropy and/or either prediction error curiosity or hidden state curiosity. We find entropy and curiosity result in efficient exploration, especially both employed together. Notably, agents with hidden state curiosity demonstrate resilience against curiosity traps, which hinder agents with prediction error curiosity. This suggests implementing the FEP may enhance the robustness and generalization of RL models, potentially aligning the learning processes of artificial and biological agents.
Authors: Yanhong Peng, Miao He, Fangchao Hu, Zebing Mao, Xia Huang, Jun Ding
Abstract: We present a novel approach to predicting the pressure and flow rate of flexible electrohydrodynamic pumps using the Kolmogorov-Arnold Network. Inspired by the Kolmogorov-Arnold representation theorem, KAN replaces fixed activation functions with learnable spline-based activation functions, enabling it to approximate complex nonlinear functions more effectively than traditional models like Multi-Layer Perceptron and Random Forest. We evaluated KAN on a dataset of flexible EHD pump parameters and compared its performance against RF, and MLP models. KAN achieved superior predictive accuracy, with Mean Squared Errors of 12.186 and 0.001 for pressure and flow rate predictions, respectively. The symbolic formulas extracted from KAN provided insights into the nonlinear relationships between input parameters and pump performance. These findings demonstrate that KAN offers exceptional accuracy and interpretability, making it a promising alternative for predictive modeling in electrohydrodynamic pumping.
Authors: Jingwei Zhang, Farzan Farnia
Abstract: Transportation of samples across different domains is a central task in several machine learning problems. A sensible requirement for domain transfer tasks in computer vision and language domains is the sparsity of the transportation map, i.e., the transfer algorithm aims to modify the least number of input features while transporting samples across the source and target domains. In this work, we propose Elastic Net Optimal Transport (ENOT) to address the sparse distribution transfer problem. The ENOT framework utilizes the $L_1$-norm and $L_2$-norm regularization mechanisms to find a sparse and stable transportation map between the source and target domains. To compute the ENOT transport map, we consider the dual formulation of the ENOT optimization task and prove that the sparsified gradient of the optimal potential function in the ENOT's dual representation provides the ENOT transport map. Furthermore, we demonstrate the application of the ENOT framework to perform feature selection for sparse domain transfer. We present the numerical results of applying ENOT to several domain transfer problems for synthetic Gaussian mixtures and real image and text data. Our empirical results indicate the success of the ENOT framework in identifying a sparse domain transport map.
Authors: Xin Liu, Weiqi Wang, Jiaxin Bai, Yangqiu Song
Abstract: Subgraph isomorphism counting is known as #P-complete and requires exponential time to find the accurate solution. Utilizing representation learning has been shown as a promising direction to represent substructures and approximate the solution. Graph kernels that implicitly capture the correlations among substructures in diverse graphs have exhibited great discriminative power in graph classification, so we pioneeringly investigate their potential in counting subgraph isomorphisms and further explore the augmentation of kernel capability through various variants, including polynomial and Gaussian kernels. Through comprehensive analysis, we enhance the graph kernels by incorporating neighborhood information. Finally, we present the results of extensive experiments to demonstrate the effectiveness of the enhanced graph kernels and discuss promising directions for future research.
Authors: Ramin Ghorbani, Marcel J. T. Reinders, David M. J. Tax
Abstract: Anomaly detection in time series data is crucial across various domains. The scarcity of labeled data for such tasks has increased the attention towards unsupervised learning methods. These approaches, often relying solely on reconstruction error, typically fail to detect subtle anomalies in complex datasets. To address this, we introduce RESTAD, an adaptation of the Transformer model by incorporating a layer of Radial Basis Function (RBF) neurons within its architecture. This layer fits a non-parametric density in the latent representation, such that a high RBF output indicates similarity with predominantly normal training data. RESTAD integrates the RBF similarity scores with the reconstruction errors to increase sensitivity to anomalies. Our empirical evaluations demonstrate that RESTAD outperforms various established baselines across multiple benchmark datasets.
Authors: Hanshu Yan, Xingchao Liu, Jiachun Pan, Jun Hao Liew, Qiang Liu, Jiashi Feng
Abstract: We present Piecewise Rectified Flow (PeRFlow), a flow-based method for accelerating diffusion models. PeRFlow divides the sampling process of generative flows into several time windows and straightens the trajectories in each interval via the reflow operation, thereby approaching piecewise linear flows. PeRFlow achieves superior performance in a few-step generation. Moreover, through dedicated parameterizations, the obtained PeRFlow models show advantageous transfer ability, serving as universal plug-and-play accelerators that are compatible with various workflows based on the pre-trained diffusion models. The implementations of training and inference are fully open-sourced. https://github.com/magic-research/piecewise-rectified-flow
URLs: https://github.com/magic-research/piecewise-rectified-flow
Authors: Yubin Shi, Yixuan Chen, Mingzhi Dong, Xiaochen Yang, Dongsheng Li, Yujiang Wang, Robert P. Dick, Qin Lv, Yingying Zhao, Fan Yang, Tun Lu, Ning Gu, Li Shang
Abstract: Despite their prevalence in deep-learning communities, over-parameterized models convey high demands of computational costs for proper training. This work studies the fine-grained, modular-level learning dynamics of over-parameterized models to attain a more efficient and fruitful training strategy. Empirical evidence reveals that when scaling down into network modules, such as heads in self-attention models, we can observe varying learning patterns implicitly associated with each module's trainability. To describe such modular-level learning capabilities, we introduce a novel concept dubbed modular neural tangent kernel (mNTK), and we demonstrate that the quality of a module's learning is tightly associated with its mNTK's principal eigenvalue $\lambda_{\max}$. A large $\lambda_{\max}$ indicates that the module learns features with better convergence, while those miniature ones may impact generalization negatively. Inspired by the discovery, we propose a novel training strategy termed Modular Adaptive Training (MAT) to update those modules with their $\lambda_{\max}$ exceeding a dynamic threshold selectively, concentrating the model on learning common features and ignoring those inconsistent ones. Unlike most existing training schemes with a complete BP cycle across all network modules, MAT can significantly save computations by its partially-updating strategy and can further improve performance. Experiments show that MAT nearly halves the computational cost of model training and outperforms the accuracy of baselines.
Authors: Jia Hu (Jason), Mingyue Lei (Jason), Duo Li (Jason), Zhenning Li (Jason), Jaehyun (Jason), So, Haoran Wang
Abstract: Personalization is crucial for the widespread adoption of advanced driver assistance system. To match up with each user's preference, the online evolution capability is a must. However, conventional evolution methods learn from naturalistic driving data, which requires a lot computing power and cannot be applied online. To address this challenge, this paper proposes a lesson learning approach: learning from driver's takeover interventions. By leveraging online takeover data, the driving zone is generated to ensure perceived safety using Gaussian discriminant analysis. Real-time corrections to trajectory planning rewards are enacted through apprenticeship learning. Guided by the objective of optimizing rewards within the constraints of the driving zone, this approach employs model predictive control for trajectory planning. This lesson learning framework is highlighted for its faster evolution capability, adeptness at experience accumulating, assurance of perceived safety, and computational efficiency. Simulation results demonstrate that the proposed system consistently achieves a successful customization without further takeover interventions. Accumulated experience yields a 24% enhancement in evolution efficiency. The average number of learning iterations is only 13.8. The average computation time is 0.08 seconds.
Authors: Bj{\o}rn Pedersen, Maisha Islam, Doris Tove Kristoffersen, Lars Ailo Bongo, Eilidh Garrett, Alice Reid, Hilde Sommerseth
Abstract: This paper investigates the feasibility of using pre-trained generative Large Language Models (LLMs) to automate the assignment of ICD-10 codes to historical causes of death. Due to the complex narratives often found in historical causes of death, this task has traditionally been manually performed by coding experts. We evaluate the ability of GPT-3.5, GPT-4, and Llama 2 LLMs to accurately assign ICD-10 codes on the HiCaD dataset that contains causes of death recorded in the civil death register entries of 19,361 individuals from Ipswich, Kilmarnock, and the Isle of Skye from the UK between 1861-1901. Our findings show that GPT-3.5, GPT-4, and Llama 2 assign the correct code for 69%, 83%, and 40% of causes, respectively. However, we achieve a maximum accuracy of 89% by standard machine learning techniques. All LLMs performed better for causes of death that contained terms still in use today, compared to archaic terms. Also they perform better for short causes (1-2 words) compared to longer causes. LLMs therefore do not currently perform well enough for historical ICD-10 code assignment tasks. We suggest further fine-tuning or alternative frameworks to achieve adequate performance.
Authors: Andrey V. Galichin, Mikhail Pautov, Alexey Zhavoronkin, Oleg Y. Rogov, Ivan Oseledets
Abstract: While Deep Neural Networks (DNNs) have demonstrated remarkable performance in tasks related to perception and control, there are still several unresolved concerns regarding the privacy of their training data, particularly in the context of vulnerability to Membership Inference Attacks (MIAs). In this paper, we explore a connection between the susceptibility to membership inference attacks and the vulnerability to distillation-based functionality stealing attacks. In particular, we propose {GLiRA}, a distillation-guided approach to membership inference attack on the black-box neural network. We observe that the knowledge distillation significantly improves the efficiency of likelihood ratio of membership inference attack, especially in the black-box setting, i.e., when the architecture of the target model is unknown to the attacker. We evaluate the proposed method across multiple image classification datasets and models and demonstrate that likelihood ratio attacks when guided by the knowledge distillation, outperform the current state-of-the-art membership inference attacks in the black-box setting.
Authors: Haoyu Ren, Xue Li, Darko Anicic, Thomas A. Runkler
Abstract: Recent advances in Tiny Machine Learning (TinyML) empower low-footprint embedded devices for real-time on-device Machine Learning. While many acknowledge the potential benefits of TinyML, its practical implementation presents unique challenges. This study aims to bridge the gap between prototyping single TinyML models and developing reliable TinyML systems in production: (1) Embedded devices operate in dynamically changing conditions. Existing TinyML solutions primarily focus on inference, with models trained offline on powerful machines and deployed as static objects. However, static models may underperform in the real world due to evolving input data distributions. We propose online learning to enable training on constrained devices, adapting local models towards the latest field conditions. (2) Nevertheless, current on-device learning methods struggle with heterogeneous deployment conditions and the scarcity of labeled data when applied across numerous devices. We introduce federated meta-learning incorporating online learning to enhance model generalization, facilitating rapid learning. This approach ensures optimal performance among distributed devices by knowledge sharing. (3) Moreover, TinyML's pivotal advantage is widespread adoption. Embedded devices and TinyML models prioritize extreme efficiency, leading to diverse characteristics ranging from memory and sensors to model architectures. Given their diversity and non-standardized representations, managing these resources becomes challenging as TinyML systems scale up. We present semantic management for the joint management of models and devices at scale. We demonstrate our methods through a basic regression example and then assess them in three real-world TinyML applications: handwritten character image classification, keyword audio classification, and smart building presence detection, confirming our approaches' effectiveness.
Authors: Kaushik Dey, Satheesh K. Perepu, Abir Das
Abstract: Intent Management Function (IMF) is an integral part of future-generation networks. In recent years, there has been some work on AI-based IMFs that can handle conflicting intents and prioritize the global objective based on apriori definition of the utility function and accorded priorities for competing intents. Some of the earlier works use Multi-Agent Reinforcement Learning (MARL) techniques with AdHoc Teaming (AHT) approaches for efficient conflict handling in IMF. However, the success of such frameworks in real-life scenarios requires them to be flexible to business situations. The intent priorities can change and the utility function, which measures the extent of intent fulfilment, may also vary in definition. This paper proposes a novel mechanism whereby the IMF can generalize to different forms of utility functions and change of intent priorities at run-time without additional training. Such generalization ability, without additional training requirements, would help to deploy IMF in live networks where customer intents and priorities change frequently. Results on the network emulator demonstrate the efficacy of the approach, scalability for new intents, outperforming existing techniques that require additional training to achieve the same degree of flexibility thereby saving cost, and increasing efficiency and adaptability.
Authors: Shuo Liu, Di Yao, Lanting Fang, Zhetao Li, Wenbin Li, Kaiyu Feng, XiaoWen Ji, Jingping Bi
Abstract: Detecting anomaly edges for dynamic graphs aims to identify edges significantly deviating from the normal pattern and can be applied in various domains, such as cybersecurity, financial transactions and AIOps. With the evolving of time, the types of anomaly edges are emerging and the labeled anomaly samples are few for each type. Current methods are either designed to detect randomly inserted edges or require sufficient labeled data for model training, which harms their applicability for real-world applications. In this paper, we study this problem by cooperating with the rich knowledge encoded in large language models(LLMs) and propose a method, namely AnomalyLLM. To align the dynamic graph with LLMs, AnomalyLLM pre-trains a dynamic-aware encoder to generate the representations of edges and reprograms the edges using the prototypes of word embeddings. Along with the encoder, we design an in-context learning framework that integrates the information of a few labeled samples to achieve few-shot anomaly detection. Experiments on four datasets reveal that AnomalyLLM can not only significantly improve the performance of few-shot anomaly detection, but also achieve superior results on new anomalies without any update of model parameters.
Authors: Asaf Cassel, Haipeng Luo, Aviv Rosenberg, Dmitry Sotnikov
Abstract: In many real-world applications, it is hard to provide a reward signal in each step of a Reinforcement Learning (RL) process and more natural to give feedback when an episode ends. To this end, we study the recently proposed model of RL with Aggregate Bandit Feedback (RL-ABF), where the agent only observes the sum of rewards at the end of an episode instead of each reward individually. Prior work studied RL-ABF only in tabular settings, where the number of states is assumed to be small. In this paper, we extend ABF to linear function approximation and develop two efficient algorithms with near-optimal regret guarantees: a value-based optimistic algorithm built on a new randomization technique with a Q-functions ensemble, and a policy optimization algorithm that uses a novel hedging scheme over the ensemble.
Authors: Daphne Theodorakopoulos (Marine Perception Research Department, German Research Center for Artificial Intelligence, Institute of Artificial Intelligence), Frederic Stahl (Marine Perception Research Department, German Research Center for Artificial Intelligence), Marius Lindauer (Institute of Artificial Intelligence, L3S Research Center)
Abstract: Hyperparameter optimization plays a pivotal role in enhancing the predictive performance and generalization capabilities of ML models. However, in many applications, we do not only care about predictive performance but also about objectives such as inference time, memory, or energy consumption. In such MOO scenarios, determining the importance of hyperparameters poses a significant challenge due to the complex interplay between the conflicting objectives. In this paper, we propose the first method for assessing the importance of hyperparameters in the context of multi-objective hyperparameter optimization. Our approach leverages surrogate-based hyperparameter importance (HPI) measures, i.e. fANOVA and ablation paths, to provide insights into the impact of hyperparameters on the optimization objectives. Specifically, we compute the a-priori scalarization of the objectives and determine the importance of the hyperparameters for different objective tradeoffs. Through extensive empirical evaluations on diverse benchmark datasets with three different objectives paired with accuracy, namely time, demographic parity, and energy consumption, we demonstrate the effectiveness and robustness of our proposed method. Our findings not only offer valuable guidance for hyperparameter tuning in MOO tasks but also contribute to advancing the understanding of HPI in complex optimization scenarios.
Authors: Ricardo Knauer, Erik Rodner
Abstract: Many industry verticals are confronted with small-sized tabular data. In this low-data regime, it is currently unclear whether the best performance can be expected from simple baselines, or more complex machine learning approaches that leverage meta-learning and ensembling. On 44 tabular classification datasets with sample sizes $\leq$ 500, we find that L2-regularized logistic regression performs similar to state-of-the-art automated machine learning (AutoML) frameworks (AutoPrognosis, AutoGluon) and off-the-shelf deep neural networks (TabPFN, HyperFast) on the majority of the benchmark datasets. We therefore recommend to consider logistic regression as the first choice for data-scarce applications with tabular data and provide practitioners with best practices for further method selection.
Authors: Yufei Gu
Abstract: Double descent presents a counter-intuitive aspect within the machine learning domain, and researchers have observed its manifestation in various models and tasks. While some theoretical explanations have been proposed for this phenomenon in specific contexts, an accepted theory for its occurring mechanism in deep learning remains yet to be established. In this study, we revisited the phenomenon of double descent and discussed the conditions of its occurrence. This paper introduces the concept of class-activation matrices and a methodology for estimating the effective complexity of functions, on which we unveil that over-parameterized models exhibit more distinct and simpler class patterns in hidden activations compared to under-parameterized ones. We further looked into the interpolation of noisy labelled data among clean representations and demonstrated overfitting w.r.t. expressive capacity. By comprehensively analysing hypotheses and presenting corresponding empirical evidence that either validates or contradicts these hypotheses, we aim to provide fresh insights into the phenomenon of double descent and benign over-parameterization and facilitate future explorations. By comprehensively studying different hypotheses and the corresponding empirical evidence either supports or challenges these hypotheses, our goal is to offer new insights into the phenomena of double descent and benign over-parameterization, thereby enabling further explorations in the field. The source code is available at https://github.com/Yufei-Gu-451/sparse-generalization.git.
URLs: https://github.com/Yufei-Gu-451/sparse-generalization.git.
Authors: Sayan Biswas, Anne-Marie Kermarrec, Rafael Pires, Rishi Sharma, Milos Vujasinovic
Abstract: Decentralized learning (DL) faces increased vulnerability to privacy breaches due to sophisticated attacks on machine learning (ML) models. Secure aggregation is a computationally efficient cryptographic technique that enables multiple parties to compute an aggregate of their private data while keeping their individual inputs concealed from each other and from any central aggregator. To enhance communication efficiency in DL, sparsification techniques are used, selectively sharing only the most crucial parameters or gradients in a model, thereby maintaining efficiency without notably compromising accuracy. However, applying secure aggregation to sparsified models in DL is challenging due to the transmission of disjoint parameter sets by distinct nodes, which can prevent masks from canceling out effectively. This paper introduces CESAR, a novel secure aggregation protocol for DL designed to be compatible with existing sparsification mechanisms. CESAR provably defends against honest-but-curious adversaries and can be formally adapted to counteract collusion between them. We provide a foundational understanding of the interaction between the sparsification carried out by the nodes and the proportion of the parameters shared under CESAR in both colluding and non-colluding environments, offering analytical insight into the working and applicability of the protocol. Experiments on a network with 48 nodes in a 3-regular topology show that with random subsampling, CESAR is always within 0.5% accuracy of decentralized parallel stochastic gradient descent (D-PSGD), while adding only 11% of data overhead. Moreover, it surpasses the accuracy on TopK by up to 0.3% on independent and identically distributed (IID) data.
Authors: Jiarui Fang, Shangchun Zhao
Abstract: Sequence parallelism (SP), which divides the sequence dimension of input tensors across multiple computational devices, is becoming key to unlocking the long-context capabilities of generative AI models. This paper investigates the state-of-the-art SP approaches, i.e. DeepSpeed-Ulysses and Ring-Attention, and proposes a unified SP approach, which is more robust to transformer model architectures and network hardware topology. This paper compares the communication and memory cost of SP and existing parallelism, including data/tensor/zero/expert/pipeline parallelism, and discusses the best practices for designing hybrid 4D parallelism involving SP. We achieved 86\% MFU on two 8xA800 nodes using SP for sequence length 208K for the LLAMA3-8B model. Our code is publicly available on \url{https://github.com/feifeibear/long-context-attention}.
Authors: Dmitry A. Ivanov, Denis A. Larionov, Oleg V. Maslennikov, Vladimir V. Voevodin
Abstract: In real applications of Reinforcement Learning (RL), such as robotics, low latency and energy efficient inference is very desired. The use of sparsity and pruning for optimizing Neural Network inference, and particularly to improve energy and latency efficiency, is a standard technique. In this work, we perform a systematic investigation of applying these optimization techniques for different RL algorithms in different RL environments, yielding up to a 400-fold reduction in the size of neural networks.
Authors: Franz Kevin Stehle, Wainer Vandelli, Giuseppe Avolio, Felix Zahn, Holger Fr\"oning
Abstract: Anomaly detection in distributed systems such as High-Performance Computing (HPC) clusters is vital for early fault detection, performance optimisation, security monitoring, reliability in general but also operational insights. Deep Neural Networks have seen successful use in detecting long-term anomalies in multidimensional data, originating for instance from industrial or medical systems, or weather prediction. A downside of such methods is that they require a static input size, or lose data through cropping, sampling, or other dimensionality reduction methods, making deployment on systems with variability on monitored data channels, such as computing clusters difficult. To address these problems, we present DeepHYDRA (Deep Hybrid DBSCAN/Reduction-Based Anomaly Detection) which combines DBSCAN and learning-based anomaly detection. DBSCAN clustering is used to find point anomalies in time-series data, mitigating the risk of missing outliers through loss of information when reducing input data to a fixed number of channels. A deep learning-based time-series anomaly detection method is then applied to the reduced data in order to identify long-term outliers. This hybrid approach reduces the chances of missing anomalies that might be made indistinguishable from normal data by the reduction process, and likewise enables the algorithm to be scalable and tolerate partial system failures while retaining its detection capabilities. Using a subset of the well-known SMD dataset family, a modified variant of the Eclipse dataset, as well as an in-house dataset with a large variability in active data channels, made publicly available with this work, we furthermore analyse computational intensity, memory footprint, and activation counts. DeepHYDRA is shown to reliably detect different types of anomalies in both large and complex datasets.
Authors: Paris Papavasileiou, Dimitrios G. Giovanis, Gabriele Pozzetti, Martin Kathrein, Christoph Czettl, Ioannis G. Kevrekidis, Andreas G. Boudouvis, St\'ephane P. A. Bordas, Eleni D. Koronaki
Abstract: This study introduces a machine learning framework tailored to large-scale industrial processes characterized by a plethora of numerical and categorical inputs. The framework aims to (i) discern critical parameters influencing the output and (ii) generate accurate out-of-sample qualitative and quantitative predictions of production outcomes. Specifically, we address the pivotal question of the significance of each input in shaping the process outcome, using an industrial Chemical Vapor Deposition (CVD) process as an example. The initial objective involves merging subject matter expertise and clustering techniques exclusively on the process output, here, coating thickness measurements at various positions in the reactor. This approach identifies groups of production runs that share similar qualitative characteristics, such as film mean thickness and standard deviation. In particular, the differences of the outcomes represented by the different clusters can be attributed to differences in specific inputs, indicating that these inputs are critical for the production outcome. Leveraging this insight, we subsequently implement supervised classification and regression methods using the identified critical process inputs. The proposed methodology proves to be valuable in scenarios with a multitude of inputs and insufficient data for the direct application of deep learning techniques, providing meaningful insights into the underlying processes.
Authors: Wei-Ting Tang, Joel A. Paulson
Abstract: Bayesian optimization (BO) is a popular approach for optimizing expensive-to-evaluate black-box objective functions. An important challenge in BO is its application to high-dimensional search spaces due in large part to the curse of dimensionality. One way to overcome this challenge is to focus on local BO methods that aim to efficiently learn gradients, which have shown strong empirical performance on a variety of high-dimensional problems including policy search in reinforcement learning (RL). However, current local BO methods assume access to only a single high-fidelity information source whereas, in many engineering and control problems, one has access to multiple cheaper approximations of the objective. We propose a novel algorithm, Cost-Aware Gradient Entropy Search (CAGES), for local BO of multi-fidelity black-box functions. CAGES makes no assumption about the relationship between different information sources, making it more flexible than other multi-fidelity methods. It also employs a new type of information-theoretic acquisition function, which enables systematic identification of samples that maximize the information gain about the unknown gradient per cost of the evaluation. We demonstrate CAGES can achieve significant performance improvements compared to other state-of-the-art methods on a variety of synthetic and benchmark RL problems.
Authors: Mengge Du, Yuntian Chen, Zhongzheng Wang, Longfeng Nie, Dongxiao Zhang
Abstract: Equation discovery is aimed at directly extracting physical laws from data and has emerged as a pivotal research domain. Previous methods based on symbolic mathematics have achieved substantial advancements, but often require the design of implementation of complex algorithms. In this paper, we introduce a new framework that utilizes natural language-based prompts to guide large language models (LLMs) in automatically mining governing equations from data. Specifically, we first utilize the generation capability of LLMs to generate diverse equations in string form, and then evaluate the generated equations based on observations. In the optimization phase, we propose two alternately iterated strategies to optimize generated equations collaboratively. The first strategy is to take LLMs as a black-box optimizer and achieve equation self-improvement based on historical samples and their performance. The second strategy is to instruct LLMs to perform evolutionary operators for global search. Experiments are extensively conducted on both partial differential equations and ordinary differential equations. Results demonstrate that our framework can discover effective equations to reveal the underlying physical laws under various nonlinear dynamic systems. Further comparisons are made with state-of-the-art models, demonstrating good stability and usability. Our framework substantially lowers the barriers to learning and applying equation discovery techniques, demonstrating the application potential of LLMs in the field of knowledge discovery.
Authors: Rafael Kourdis, Gabriel Gordon-Hall, Philip John Gorinski
Abstract: Multitask Learning is a Machine Learning paradigm that aims to train a range of (usually related) tasks with the help of a shared model. While the goal is often to improve the joint performance of all training tasks, another approach is to focus on the performance of a specific target task, while treating the remaining ones as auxiliary data from which to possibly leverage positive transfer towards the target during training. In such settings, it becomes important to estimate the positive or negative influence auxiliary tasks will have on the target. While many ways have been proposed to estimate task weights before or during training they typically rely on heuristics or extensive search of the weighting space. We propose a novel method called $\alpha$-Variable Importance Learning ($\alpha$VIL) that is able to adjust task weights dynamically during model training, by making direct use of task-specific updates of the underlying model's parameters between training epochs. Experiments indicate that $\alpha$VIL is able to outperform other Multitask Learning approaches in a variety of settings. To our knowledge, this is the first attempt at making direct use of model updates for task weight estimation.
Authors: Zhiyong Yang, Qianqian Xu, Zitai Wang, Sicong Li, Boyu Han, Shilong Bao, Xiaochun Cao, Qingming Huang
Abstract: This paper explores test-agnostic long-tail recognition, a challenging long-tail task where the test label distributions are unknown and arbitrarily imbalanced. We argue that the variation in these distributions can be broken down hierarchically into global and local levels. The global ones reflect a broad range of diversity, while the local ones typically arise from milder changes, often focused on a particular neighbor. Traditional methods predominantly use a Mixture-of-Expert (MoE) approach, targeting a few fixed test label distributions that exhibit substantial global variations. However, the local variations are left unconsidered. To address this issue, we propose a new MoE strategy, $\mathsf{DirMixE}$, which assigns experts to different Dirichlet meta-distributions of the label distribution, each targeting a specific aspect of local variations. Additionally, the diversity among these Dirichlet meta-distributions inherently captures global variations. This dual-level approach also leads to a more stable objective function, allowing us to sample different test distributions better to quantify the mean and variance of performance outcomes. Theoretically, we show that our proposed objective benefits from enhanced generalization by virtue of the variance-based regularization. Comprehensive experiments across multiple benchmarks confirm the effectiveness of $\mathsf{DirMixE}$. The code is available at \url{https://github.com/scongl/DirMixE}.
Authors: Ruikai Yang, Fan He, Mingzhen He, Jie Yang, Xiaolin Huang
Abstract: Random feature (RF) has been widely used for node consistency in decentralized kernel ridge regression (KRR). Currently, the consistency is guaranteed by imposing constraints on coefficients of features, necessitating that the random features on different nodes are identical. However, in many applications, data on different nodes varies significantly on the number or distribution, which calls for adaptive and data-dependent methods that generate different RFs. To tackle the essential difficulty, we propose a new decentralized KRR algorithm that pursues consensus on decision functions, which allows great flexibility and well adapts data on nodes. The convergence is rigorously given and the effectiveness is numerically verified: by capturing the characteristics of the data on each node, while maintaining the same communication costs as other methods, we achieved an average regression accuracy improvement of 25.5\% across six real-world data sets.
Authors: Ruikai Yang, Fan He, Mingzhen He, Kaijie Wang, Xiaolin Huang
Abstract: Data imputation, the process of filling in missing feature elements for incomplete data sets, plays a crucial role in data-driven learning. A fundamental belief is that data imputation is helpful for learning performance, and it follows that the pursuit of better classification can guide the data imputation process. While some works consider using label information to assist in this task, their simplistic utilization of labels lacks flexibility and may rely on strict assumptions. In this paper, we propose a new framework that effectively leverages supervision information to complete missing data in a manner conducive to classification. Specifically, this framework operates in two stages. Firstly, it leverages labels to supervise the optimization of similarity relationships among data, represented by the kernel matrix, with the goal of enhancing classification accuracy. To mitigate overfitting that may occur during this process, a perturbation variable is introduced to improve the robustness of the framework. Secondly, the learned kernel matrix serves as additional supervision information to guide data imputation through regression, utilizing the block coordinate descent method. The superiority of the proposed method is evaluated on four real-world data sets by comparing it with state-of-the-art imputation methods. Remarkably, our algorithm significantly outperforms other methods when the data is missing more than 60\% of the features
Authors: Ke Wang, Nikolaos Dimitriadis, Guillermo Ortiz-Jimenez, Fran\c{c}ois Fleuret, Pascal Frossard
Abstract: Model merging and task arithmetic have emerged as promising scalable approaches to merge multiple single-task checkpoints to one multi-task model, but their applicability is reduced by significant performance loss. Previous works have linked these drops to interference in the weight space and erasure of important task-specific features. Instead, in this work we show that the information required to solve each task is still preserved after merging as different tasks mostly use non-overlapping sets of weights. We propose TALL-masks, a method to identify these task supports given a collection of task vectors and show that one can retrieve >99% of the single task accuracy by applying our masks to the multi-task vector, effectively compressing the individual checkpoints. We study the statistics of intersections among constructed masks and reveal the existence of selfish and catastrophic weights, i.e., parameters that are important exclusively to one task and irrelevant to all tasks but detrimental to multi-task fusion. For this reason, we propose Consensus Merging, an algorithm that eliminates such weights and improves the general performance of existing model merging approaches. Our experiments in vision and NLP benchmarks with up to 20 tasks, show that Consensus Merging consistently improves existing approaches. Furthermore, our proposed compression scheme reduces storage from 57Gb to 8.2Gb while retaining 99.7% of original performance.
Authors: Patricia A. Apell\'aniz, Ana Jim\'enez, Borja Arroyo Galende, Juan Parras, Santiago Zazo
Abstract: The ever-increasing use of generative models in various fields where tabular data is used highlights the need for robust and standardized validation metrics to assess the similarity between real and synthetic data. Current methods lack a unified framework and rely on diverse and often inconclusive statistical measures. Divergences, which quantify discrepancies between data distributions, offer a promising avenue for validation. However, traditional approaches calculate divergences independently for each feature due to the complexity of joint distribution modeling. This paper addresses this challenge by proposing a novel approach that uses divergence estimation to overcome the limitations of marginal comparisons. Our core contribution lies in applying a divergence estimator to build a validation metric considering the joint distribution of real and synthetic data. We leverage a probabilistic classifier to approximate the density ratio between datasets, allowing the capture of complex relationships. We specifically calculate two divergences: the well-known Kullback-Leibler (KL) divergence and the Jensen-Shannon (JS) divergence. KL divergence offers an established use in the field, while JS divergence is symmetric and bounded, providing a reliable metric. The efficacy of this approach is demonstrated through a series of experiments with varying distribution complexities. The initial phase involves comparing estimated divergences with analytical solutions for simple distributions, setting a benchmark for accuracy. Finally, we validate our method on a real-world dataset and its corresponding synthetic counterpart, showcasing its effectiveness in practical applications. This research offers a significant contribution with applicability beyond tabular data and the potential to improve synthetic data validation in various fields.
Authors: Olabode T. Ajenifujah, Francis Ogoke, Florian Wirth, Jack Beuth, Amir Barati Farimani
Abstract: Laser powder bed fusion (LPBF) has shown promise for wide range of applications due to its ability to fabricate freeform geometries and generate a controlled microstructure. However, components generated by LPBF still possess sub-optimal mechanical properties due to the defects that are created during laser-material interactions. In this work, we investigate mechanism of spatter formation, using a high-fidelity modelling tool that was built to simulate the multi-physics phenomena in LPBF. The modelling tool have the capability to capture the 3D resolution of the meltpool and the spatter behavior. To understand spatter behavior and formation, we reveal its properties at ejection and evaluate its variation from the meltpool, the source where it is formed. The dataset of the spatter and the meltpool collected consist of 50 % spatter and 50 % melt pool samples, with features that include position components, velocity components, velocity magnitude, temperature, density and pressure. The relationship between the spatter and the meltpool were evaluated via correlation analysis and machine learning (ML) algorithms for classification tasks. Upon screening different ML algorithms on the dataset, a high accuracy was observed for all the ML models, with ExtraTrees having the highest at 96 % and KNN having the lowest at 94 %.
Authors: Alexander M\"arz, Kashif Rasul
Abstract: This paper introduces the concept of Hyper-Trees and offers a new direction in applying tree-based models to time series data. Unlike conventional applications of decision trees that forecast time series directly, Hyper-Trees are designed to learn the parameters of a target time series model. Our framework leverages the gradient-based nature of boosted trees, which allows us to extend the concept of Hyper-Networks to Hyper-Trees and to induce a time-series inductive bias to tree models. By relating the parameters of a target time series model to features, Hyper-Trees address the challenge of parameter non-stationarity and enable tree-based forecasts to extend beyond their initial training range. With our research, we aim to explore the effectiveness of Hyper-Trees across various forecasting scenarios and to expand the application of gradient boosted decision trees past their conventional use in time series forecasting.
Authors: Arushi Jain, Josiah P. Hanna, Doina Precup
Abstract: General Value Functions (GVFs) (Sutton et al, 2011) are an established way to represent predictive knowledge in reinforcement learning. Each GVF computes the expected return for a given policy, based on a unique pseudo-reward. Multiple GVFs can be estimated in parallel using off-policy learning from a single stream of data, often sourced from a fixed behavior policy or pre-collected dataset. This leaves an open question: how can behavior policy be chosen for data-efficient GVF learning? To address this gap, we propose GVFExplorer, which aims at learning a behavior policy that efficiently gathers data for evaluating multiple GVFs in parallel. This behavior policy selects actions in proportion to the total variance in the return across all GVFs, reducing the number of environmental interactions. To enable accurate variance estimation, we use a recently proposed temporal-difference-style variance estimator. We prove that each behavior policy update reduces the mean squared error in the summed predictions over all GVFs. We empirically demonstrate our method's performance in both tabular representations and nonlinear function approximation.
Authors: Haoyang Zheng, Hengrong Du, Qi Feng, Wei Deng, Guang Lin
Abstract: Replica exchange stochastic gradient Langevin dynamics (reSGLD) is an effective sampler for non-convex learning in large-scale datasets. However, the simulation may encounter stagnation issues when the high-temperature chain delves too deeply into the distribution tails. To tackle this issue, we propose reflected reSGLD (r2SGLD): an algorithm tailored for constrained non-convex exploration by utilizing reflection steps within a bounded domain. Theoretically, we observe that reducing the diameter of the domain enhances mixing rates, exhibiting a \emph{quadratic} behavior. Empirically, we test its performance through extensive experiments, including identifying dynamical systems with physical constraints, simulations of constrained multi-modal distributions, and image classification tasks. The theoretical and empirical findings highlight the crucial role of constrained exploration in improving the simulation efficiency.
Authors: Vinod Kumar Chauhan, Lei Clifton, Achille Sala\"un, Huiqi Yvonne Lu, Kim Branson, Patrick Schwab, Gaurav Nigam, David A. Clifton
Abstract: While machine learning algorithms hold promise for personalised medicine, their clinical adoption remains limited. One critical factor contributing to this restraint is sample selection bias (SSB) which refers to the study population being less representative of the target population, leading to biased and potentially harmful decisions. Despite being well-known in the literature, SSB remains scarcely studied in machine learning for healthcare. Moreover, the existing techniques try to correct the bias by balancing distributions between the study and the target populations, which may result in a loss of predictive performance. To address these problems, our study illustrates the potential risks associated with SSB by examining SSB's impact on the performance of machine learning algorithms. Most importantly, we propose a new research direction for addressing SSB, based on the target population identification rather than the bias correction. Specifically, we propose two independent networks (T-Net) and a multitasking network (MT-Net) for addressing SSB, where one network/task identifies the target subpopulation which is representative of the study population and the second makes predictions for the identified subpopulation. Our empirical results with synthetic and semi-synthetic datasets highlight that SSB can lead to a large drop in the performance of an algorithm for the target population as compared with the study population, as well as a substantial difference in the performance for the target subpopulations that are representative of the selected and the non-selected patients from the study population. Furthermore, our proposed techniques demonstrate robustness across various settings, including different dataset sizes, event rates, and selection rates, outperforming the existing bias correction techniques.
Authors: Hanze Dong, Wei Xiong, Bo Pang, Haoxiang Wang, Han Zhao, Yingbo Zhou, Nan Jiang, Doyen Sahoo, Caiming Xiong, Tong Zhang
Abstract: We present the workflow of Online Iterative Reinforcement Learning from Human Feedback (RLHF) in this technical report, which is widely reported to outperform its offline counterpart by a large margin in the recent large language model (LLM) literature. However, existing open-source RLHF projects are still largely confined to the offline learning setting. In this technical report, we aim to fill in this gap and provide a detailed recipe that is easy to reproduce for online iterative RLHF. In particular, since online human feedback is usually infeasible for open-source communities with limited resources, we start by constructing preference models using a diverse set of open-source datasets and use the constructed proxy preference model to approximate human feedback. Then, we discuss the theoretical insights and algorithmic principles behind online iterative RLHF, followed by a detailed practical implementation. Our trained LLM, SFR-Iterative-DPO-LLaMA-3-8B-R, achieves impressive performance on LLM chatbot benchmarks, including AlpacaEval-2, Arena-Hard, and MT-Bench, as well as other academic benchmarks such as HumanEval and TruthfulQA. We have shown that supervised fine-tuning (SFT) and iterative RLHF can obtain state-of-the-art performance with fully open-source datasets. Further, we have made our models, curated datasets, and comprehensive step-by-step code guidebooks publicly available. Please refer to https://github.com/RLHFlow/RLHF-Reward-Modeling and https://github.com/RLHFlow/Online-RLHF for more detailed information.
URLs: https://github.com/RLHFlow/RLHF-Reward-Modeling, https://github.com/RLHFlow/Online-RLHF
Authors: YuFei Lai
Abstract: In the field of machine learning, traditional regularization methods generally tend to directly add regularization terms to the loss function. This paper introduces the "Lai loss", a novel loss design that integrates the regularization terms (gradient component) into the traditional loss function through a straightforward geometric ideation. This design innovatively penalizes the gradient vectors through the loss, effectively controlling the model's smoothness and offering the dual benefits of reducing overfitting and avoiding underfitting. Subsequently, we proposed a random sampling method that successfully addresses the challenges associated with its application under large sample conditions. We conducted preliminary experiments using publicly available datasets from Kaggle, demonstrating that the design of Lai loss can control the model's smoothness while ensuring maximum accuracy.
Authors: Shilong Wang, Hao Wu, Yifan Duan, Guibin Zhang, Guohao Li, Yuxuan Liang, Shirui Pan, Kun Wang, Yang Wang
Abstract: The ever-designed Graph Neural Networks, though opening a promising path for the modeling of the graph-structure data, unfortunately introduce two daunting obstacles to their deployment on devices. (I) Most of existing GNNs are shallow, due mostly to the over-smoothing and gradient-vanish problem as they go deeper as convolutional architectures. (II) The vast majority of GNNs adhere to the homophily assumption, where the central node and its adjacent nodes share the same label. This assumption often poses challenges for many GNNs working with heterophilic graphs. Addressing the aforementioned issue has become a looming challenge in enhancing the robustness and scalability of GNN applications. In this paper, we take a comprehensive and systematic approach to overcoming the two aforementioned challenges for the first time. We propose a Node-Specific Layer Aggregation and Filtration architecture, termed NoSAF, a framework capable of filtering and processing information from each individual nodes. NoSAF introduces the concept of "All Nodes are Created Not Equal" into every layer of deep networks, aiming to provide a reliable information filter for each layer's nodes to sieve out information beneficial for the subsequent layer. By incorporating a dynamically updated codebank, NoSAF dynamically optimizes the optimal information outputted downwards at each layer. This effectively overcomes heterophilic issues and aids in deepening the network. To compensate for the information loss caused by the continuous filtering in NoSAF, we also propose NoSAF-D (Deep), which incorporates a compensation mechanism that replenishes information in every layer of the model, allowing NoSAF to perform meaningful computations even in very deep layers.
Authors: Arnab Bhattacharyya, Sutanu Gayen, Philips George John, Sayantan Sen, N. V. Vinodchandran
Abstract: This work establishes a novel link between the problem of PAC-learning high-dimensional graphical models and the task of (efficient) counting and sampling of graph structures, using an online learning framework. We observe that if we apply the exponentially weighted average (EWA) or randomized weighted majority (RWM) forecasters on a sequence of samples from a distribution P using the log loss function, the average regret incurred by the forecaster's predictions can be used to bound the expected KL divergence between P and the predictions. Known regret bounds for EWA and RWM then yield new sample complexity bounds for learning Bayes nets. Moreover, these algorithms can be made computationally efficient for several interesting classes of Bayes nets. Specifically, we give a new sample-optimal and polynomial time learning algorithm with respect to trees of unknown structure and the first polynomial sample and time algorithm for learning with respect to Bayes nets over a given chordal skeleton.
Authors: Mahdi Morafah, Matthias Reisser, Bill Lin, Christos Louizos
Abstract: The proliferation of edge devices has brought Federated Learning (FL) to the forefront as a promising paradigm for decentralized and collaborative model training while preserving the privacy of clients' data. However, FL struggles with a significant performance reduction and poor convergence when confronted with Non-Independent and Identically Distributed (Non-IID) data distributions among participating clients. While previous efforts, such as client drift mitigation and advanced server-side model fusion techniques, have shown some success in addressing this challenge, they often overlook the root cause of the performance reduction - the absence of identical data accurately mirroring the global data distribution among clients. In this paper, we introduce Gen-FedSD, a novel approach that harnesses the powerful capability of state-of-the-art text-to-image foundation models to bridge the significant Non-IID performance gaps in FL. In Gen-FedSD, each client constructs textual prompts for each class label and leverages an off-the-shelf state-of-the-art pre-trained Stable Diffusion model to synthesize high-quality data samples. The generated synthetic data is tailored to each client's unique local data gaps and distribution disparities, effectively making the final augmented local data IID. Through extensive experimentation, we demonstrate that Gen-FedSD achieves state-of-the-art performance and significant communication cost savings across various datasets and Non-IID settings.
Authors: Vasilis Kontonis, Mingchen Ma, Christos Tzamos
Abstract: We consider an active learning setting where a learner is presented with a pool S of n unlabeled examples belonging to a domain X and asks queries to find the underlying labeling that agrees with a target concept h^* \in H. In contrast to traditional active learning that queries a single example for its label, we study more general region queries that allow the learner to pick a subset of the domain T \subset X and a target label y and ask a labeler whether h^*(x) = y for every example in the set T \cap S. Such more powerful queries allow us to bypass the limitations of traditional active learning and use significantly fewer rounds of interactions to learn but can potentially lead to a significantly more complex query language. Our main contribution is quantifying the trade-off between the number of queries and the complexity of the query language used by the learner. We measure the complexity of the region queries via the VC dimension of the family of regions. We show that given any hypothesis class H with VC dimension d, one can design a region query family Q with VC dimension O(d) such that for every set of n examples S \subset X and every h^* \in H, a learner can submit O(d log n) queries from Q to a labeler and perfectly label S. We show a matching lower bound by designing a hypothesis class H with VC dimension d and a dataset S \subset X of size n such that any learning algorithm using any query class with VC dimension O(d) must make poly(n) queries to label S perfectly. Finally, we focus on well-studied hypothesis classes including unions of intervals, high-dimensional boxes, and d-dimensional halfspaces, and obtain stronger results. In particular, we design learning algorithms that (i) are computationally efficient and (ii) work even when the queries are not answered based on the learner's pool of examples S but on some unknown superset L of S
Authors: Andr\'e Correia, Lu\'is A. Alexandre
Abstract: Recent advancements in imitation learning have been largely fueled by the integration of sequence models, which provide a structured flow of information to effectively mimic task behaviours. Currently, Decision Transformer (DT) and subsequently, the Hierarchical Decision Transformer (HDT), presented Transformer-based approaches to learn task policies. Recently, the Mamba architecture has shown to outperform Transformers across various task domains. In this work, we introduce two novel methods, Decision Mamba (DM) and Hierarchical Decision Mamba (HDM), aimed at enhancing the performance of the Transformer models. Through extensive experimentation across diverse environments such as OpenAI Gym and D4RL, leveraging varying demonstration data sets, we demonstrate the superiority of Mamba models over their Transformer counterparts in a majority of tasks. Results show that HDM outperforms other methods in most settings. The code can be found at https://github.com/meowatthemoon/HierarchicalDecisionMamba.
URLs: https://github.com/meowatthemoon/HierarchicalDecisionMamba.
Authors: Minyoung Huh, Brian Cheung, Tongzhou Wang, Phillip Isola
Abstract: We argue that representations in AI models, particularly deep networks, are converging. First, we survey many examples of convergence in the literature: over time and across multiple domains, the ways by which different neural networks represent data are becoming more aligned. Next, we demonstrate convergence across data modalities: as vision models and language models get larger, they measure distance between datapoints in a more and more alike way. We hypothesize that this convergence is driving toward a shared statistical model of reality, akin to Plato's concept of an ideal reality. We term such a representation the platonic representation and discuss several possible selective pressures toward it. Finally, we discuss the implications of these trends, their limitations, and counterexamples to our analysis.
Authors: Haitao Lin, Odin Zhang, Huifeng Zhao, Dejun Jiang, Lirong Wu, Zicheng Liu, Yufei Huang, Stan Z. Li
Abstract: Therapeutic peptides have proven to have great pharmaceutical value and potential in recent decades. However, methods of AI-assisted peptide drug discovery are not fully explored. To fill the gap, we propose a target-aware peptide design method called \textsc{PPFlow}, based on conditional flow matching on torus manifolds, to model the internal geometries of torsion angles for the peptide structure design. Besides, we establish a protein-peptide binding dataset named PPBench2024 to fill the void of massive data for the task of structure-based peptide drug design and to allow the training of deep learning methods. Extensive experiments show that PPFlow reaches state-of-the-art performance in tasks of peptide drug generation and optimization in comparison with baseline models, and can be generalized to other tasks including docking and side-chain packing.
Authors: Darin Tsui, Amirali Aghazadeh
Abstract: Protein language models leverage evolutionary information to perform state-of-the-art 3D structure and zero-shot variant prediction. Yet, extracting and explaining all the mutational interactions that govern model predictions remains difficult as it requires querying the entire amino acid space for $n$ sites using $20^n$ sequences, which is computationally expensive even for moderate values of $n$ (e.g., $n\sim10$). Although approaches to lower the sample complexity exist, they often limit the interpretability of the model to just single and pairwise interactions. Recently, computationally scalable algorithms relying on the assumption of sparsity in the Fourier domain have emerged to learn interactions from experimental data. However, extracting interactions from language models poses unique challenges: it's unclear if sparsity is always present or if it is the only metric needed to assess the utility of Fourier algorithms. Herein, we develop a framework to do a systematic Fourier analysis of the protein language model ESM2 applied on three proteins-green fluorescent protein (GFP), tumor protein P53 (TP53), and G domain B1 (GB1)-across various sites for 228 experiments. We demonstrate that ESM2 is dominated by three regions in the sparsity-ruggedness plane, two of which are better suited for sparse Fourier transforms. Validations on two sample proteins demonstrate recovery of all interactions with $R^2=0.72$ in the more sparse region and $R^2=0.66$ in the more dense region, using only 7 million out of $20^{10}\sim10^{13}$ ESM2 samples, reducing the computational time by a staggering factor of 15,000. All codes and data are available on our GitHub repository https://github.com/amirgroup-codes/InteractionRecovery.
URLs: https://github.com/amirgroup-codes/InteractionRecovery.
Authors: Mingyu Jin, Haochen Xue, Zhenting Wang, Boming Kang, Ruosong Ye, Kaixiong Zhou, Mengnan Du, Yongfeng Zhang
Abstract: The prediction of protein-protein interactions (PPIs) is crucial for understanding biological functions and diseases. Previous machine learning approaches to PPI prediction mainly focus on direct physical interactions, ignoring the broader context of nonphysical connections through intermediate proteins, thus limiting their effectiveness. The emergence of Large Language Models (LLMs) provides a new opportunity for addressing this complex biological challenge. By transforming structured data into natural language prompts, we can map the relationships between proteins into texts. This approach allows LLMs to identify indirect connections between proteins, tracing the path from upstream to downstream. Therefore, we propose a novel framework ProLLM that employs an LLM tailored for PPI for the first time. Specifically, we propose Protein Chain of Thought (ProCoT), which replicates the biological mechanism of signaling pathways as natural language prompts. ProCoT considers a signaling pathway as a protein reasoning process, which starts from upstream proteins and passes through several intermediate proteins to transmit biological signals to downstream proteins. Thus, we can use ProCoT to predict the interaction between upstream proteins and downstream proteins. The training of ProLLM employs the ProCoT format, which enhances the model's understanding of complex biological problems. In addition to ProCoT, this paper also contributes to the exploration of embedding replacement of protein sites in natural language prompts, and instruction fine-tuning in protein knowledge datasets. We demonstrate the efficacy of ProLLM through rigorous validation against benchmark datasets, showing significant improvement over existing methods in terms of prediction accuracy and generalizability. The code is available at: https://github.com/MingyuJ666/ProLLM.
Authors: Arnav Swaroop
Abstract: IL-3 is a hemopoietic growth factor that usually targets blood cell precursors; IL-3R is a cytokine receptor that binds to IL-3. However, IL-3 takes on a different role in the context of glial cells in the nervous system, where studies show that the protein IL-3 protects against Alzheimer's disease by activating microglia at their IL-3R receptors, causing the microglia to clear out the tangles caused by the build-up of misfolded Tau proteins. In this study, we seek to ascertain what role the secondary structure of IL-3 plays in its binding with the receptor. The motivation behind this study is to learn more about the mechanism and identify possible drugs that might be able to activate it, in hopes of inhibiting the spread of Alzheimer's Disease. From a preliminary analysis of complexes containing IL-3 and IL-3R, we hypothesized that the binding is largely due to the interactions of three alpha helix structures stretching towards the active site on the receptor. The original Il-3 protein serves as the control in this experiment; the other proteins being tested are generated through several types of computational de novo protein design, where machine learning allows for the production of entirely novel structures. The efficacy of the generated proteins is assessed through docking simulations with the IL-3R receptor, and the binding poses are also qualitatively examined to gain insight into the function of the binding. From the docking data and poses, the most successful proteins were those with similar secondary structure to IL-3.
Authors: Chenpeng Yu, Xing Fang, Hui Liu
Abstract: The immune checkpoint inhibitors have demonstrated promising clinical efficacy across various tumor types, yet the percentage of patients who benefit from them remains low. The binding affinity between antigens and HLA-I/TCR molecules plays a critical role in antigen presentation and T-cell activation. Some computational methods have been developed to predict antigen-HLA or antigen-TCR binding specificity, but they focus solely on one task at a time. In this paper, we propose UnifyImmun, a unified cross-attention transformer model designed to simultaneously predicts the binding of antigens to both HLA and TCR molecules, thereby providing more comprehensive evaluation of antigen immunogenicity. We devise a two-phase progressive training strategy that enables these two tasks to mutually reinforce each other, by compelling the encoders to extract more expressive features. To further enhance the model generalizability, we incorporate virtual adversarial training. Compared to over ten existing methods for predicting antigen-HLA and antigen-TCR binding, our method demonstrates better performance in both tasks. Notably, on a large-scale COVID-19 antigen-TCR binding test set, our method improves performance by at least 9% compared to the current state-of-the-art methods. The validation experiments on three clinical cohorts confirm that our approach effectively predicts immunotherapy response and clinical outcomes. Furthermore, the cross-attention scores reveal the amino acids sites critical for antigen binding to receptors. In essence, our approach marks a significant step towards comprehensive evaluation of antigen immunogenicity.
Authors: Bo Qiang, Wenxian Shi, Yuxuan Song, Menghua Wu
Abstract: Proteolysis targeting chimeras (PROTACs) are small molecules that trigger the breakdown of traditionally ``undruggable'' proteins by binding simultaneously to their targets and degradation-associated proteins. A key challenge in their rational design is understanding their structural basis of activity. Due to the lack of crystal structures (18 in the PDB), existing PROTAC docking methods have been forced to simplify the problem into a distance-constrained protein-protein docking task. To address the data issue, we develop a novel pseudo-data generation scheme that requires only binary protein-protein complexes. This new dataset enables PROflow, an iterative refinement model for PROTAC-induced structure prediction that models the full PROTAC flexibility during constrained protein-protein docking. PROflow outperforms the state-of-the-art across docking metrics and runtime. Its inference speed enables the large-scale screening of PROTAC designs, and computed properties of predicted structures achieve statistically significant correlations with published degradation activities.
Authors: Yanlin Zhou, Tong Zhan, Yichao Wu, Bo Song, Chenxi Shi
Abstract: The Human Genome Project has led to an exponential increase in data related to the sequence, structure, and function of biomolecules. Bioinformatics is an interdisciplinary research field that primarily uses computational methods to analyze large amounts of biological macromolecule data. Its goal is to discover hidden biological patterns and related information. Furthermore, analysing additional relevant information can enhance the study of biological operating mechanisms. This paper discusses the fundamental concepts of RNA, RNA secondary structure, and its prediction.Subsequently, the application of machine learning technologies in predicting the structure of biological macromolecules is explored. This chapter describes the relevant knowledge of algorithms and computational complexity and presents a RNA tertiary structure prediction algorithm based on ResNet. To address the issue of the current scoring function's unsuitability for long RNA, a scoring model based on ResNet is proposed, and a structure prediction algorithm is designed. The chapter concludes by presenting some open and interesting challenges in the field of RNA tertiary structure prediction.
Authors: Yiqing Shen, Outongyi Lv, Houying Zhu, Yu Guang Wang
Abstract: Large language models (LLMs) have garnered considerable attention for their proficiency in tackling intricate tasks, particularly leveraging their capacities for zero-shot and in-context learning. However, their utility has been predominantly restricted to general tasks due to an absence of domain-specific knowledge. This constraint becomes particularly pertinent in the realm of protein engineering, where specialized expertise is required for tasks such as protein function prediction, protein evolution analysis, and protein design, with a level of specialization that existing LLMs cannot furnish. In response to this challenge, we introduce \textsc{ProteinEngine}, a human-centered platform aimed at amplifying the capabilities of LLMs in protein engineering by seamlessly integrating a comprehensive range of relevant tools, packages, and software via API calls. Uniquely, \textsc{ProteinEngine} assigns three distinct roles to LLMs, facilitating efficient task delegation, specialized task resolution, and effective communication of results. This design fosters high extensibility and promotes the smooth incorporation of new algorithms, models, and features for future development. Extensive user studies, involving participants from both the AI and protein engineering communities across academia and industry, consistently validate the superiority of \textsc{ProteinEngine} in augmenting the reliability and precision of deep learning in protein engineering tasks. Consequently, our findings highlight the potential of \textsc{ProteinEngine} to bride the disconnected tools for future research in the protein engineering domain.
Authors: Qi Zhengyang, Liu Zijing, Zhang Jiying, Cao He, Li Yu
Abstract: Designing new molecules is an important task in the field of pharmaceuticals. Due to the vast design space of molecules, generating molecules conditioned on a specific sub-structure relevant to a particular function or therapeutic target is a crucial task in computer-aided drug design. In this paper, we present ControlMol, which adds sub-structure control to molecule generation with diffusion models. Unlike previous methods which view this task as inpainting or conditional generation, we adopt the idea of ControlNet into conditional molecule generation and make adaptive adjustments to a pre-trained diffusion model. We apply our method to both 2D and 3D molecule generation tasks. Conditioned on randomly partitioned sub-structure data, our method outperforms previous methods by generating more valid and diverse molecules. The method is easy to implement and can be quickly applied to a variety of pre-trained molecule generation models.
Authors: Xiaoming Zhai
Abstract: This chapter focuses on the transformative role of Artificial Intelligence (AI) and Machine Learning (ML) in science assessments. The paper begins with a discussion of the Framework for K-12 Science Education, which calls for a shift from conceptual learning to knowledge-in-use. This shift necessitates the development of new types of assessments that align with the Framework's three dimensions: science and engineering practices, disciplinary core ideas, and crosscutting concepts. The paper further highlights the limitations of traditional assessment methods like multiple-choice questions, which often fail to capture the complexities of scientific thinking and three-dimensional learning in science. It emphasizes the need for performance-based assessments that require students to engage in scientific practices like modeling, explanation, and argumentation. The paper achieves three major goals: reviewing the current state of ML-based assessments in science education, introducing a framework for scoring accuracy in ML-based automatic assessments, and discussing future directions and challenges. It delves into the evolution of ML-based automatic scoring systems, discussing various types of ML, like supervised, unsupervised, and semi-supervised learning. These systems can provide timely and objective feedback, thus alleviating the burden on teachers. The paper concludes by exploring pre-trained models like BERT and finetuned ChatGPT, which have shown promise in assessing students' written responses effectively.
Authors: Chufan Gao, Tianfan Fu, Jimeng Sun
Abstract: Clinical trial outcome prediction seeks to estimate the likelihood that a clinical trial will successfully reach its intended endpoint. This process predominantly involves the development of machine learning models that utilize a variety of data sources such as descriptions of the clinical trials, characteristics of the drug molecules, and specific disease conditions being targeted. Accurate predictions of trial outcomes are crucial for optimizing trial planning and prioritizing investments in a drug portfolio. While previous research has largely concentrated on small-molecule drugs, there is a growing need to focus on biologics-a rapidly expanding category of therapeutic agents that often lack the well-defined molecular properties associated with traditional drugs. Additionally, applying conventional methods like graph neural networks to biologics data proves challenging due to their complex nature. To address these challenges, we introduce the Language Interaction Network (LINT), a novel approach that predicts trial outcomes using only the free-text descriptions of the trials. We have rigorously tested the effectiveness of LINT across three phases of clinical trials, where it achieved ROC-AUC scores of 0.770, 0.740, and 0.748 for phases I, II, and III, respectively, specifically concerning trials involving biologic interventions.
Authors: Eunji Ko, Seul Lee, Minseon Kim, Dongki Kim
Abstract: The goal of protein representation learning is to extract knowledge from protein databases that can be applied to various protein-related downstream tasks. Although protein sequence, structure, and function are the three key modalities for a comprehensive understanding of proteins, existing methods for protein representation learning have utilized only one or two of these modalities due to the difficulty of capturing the asymmetric interrelationships between them. To account for this asymmetry, we introduce our novel asymmetric multi-modal masked autoencoder (AMMA). AMMA adopts (1) a unified multi-modal encoder to integrate all three modalities into a unified representation space and (2) asymmetric decoders to ensure that sequence latent features reflect structural and functional information. The experiments demonstrate that the proposed AMMA is highly effective in learning protein representations that exhibit well-aligned inter-modal relationships, which in turn makes it effective for various downstream protein-related tasks.
Authors: Menglin Li, Kwan Hui Lim
Abstract: The Financial Relation Extraction (FinRE) task involves identifying the entities and their relation, given a piece of financial statement/text. To solve this FinRE problem, we propose a simple but effective strategy that improves the performance of pre-trained language models by augmenting them with Named Entity Recognition (NER) and Part-Of-Speech (POS), as well as different approaches to combine these information. Experiments on a financial relations dataset show promising results and highlights the benefits of incorporating NER and POS in existing models. Our dataset and codes are available at https://github.com/kwanhui/FinRelExtract.
Authors: Al Amin, Anik Sarkar, Md Mahamodul Islam, Asif Ahammad Miazee, Md Robiul Islam, Md Mahmudul Hoque
Abstract: The Internet has become an essential tool for people in the modern world. Humans, like all living organisms, have essential requirements for survival. These include access to atmospheric oxygen, potable water, protective shelter, and sustenance. The constant flux of the world is making our existence less complicated. A significant portion of the population utilizes online food ordering services to have meals delivered to their residences. Although there are numerous methods for ordering food, customers sometimes experience disappointment with the food they receive. Our endeavor was to establish a model that could determine if food is of good or poor quality. We compiled an extensive dataset of over 1484 online reviews from prominent food ordering platforms, including Food Panda and HungryNaki. Leveraging the collected data, a rigorous assessment of various deep learning and machine learning techniques was performed to determine the most accurate approach for predicting food quality. Out of all the algorithms evaluated, logistic regression emerged as the most accurate, achieving an impressive 90.91% accuracy. The review offers valuable insights that will guide the user in deciding whether or not to order the food.
Authors: Subhendu Khatuya, Koushiki Sinha, Niloy Ganguly, Saptarshi Ghosh, Pawan Goyal
Abstract: While automatic summarization techniques have made significant advancements, their primary focus has been on summarizing short news articles or documents that have clear structural patterns like scientific articles or government reports. There has not been much exploration into developing efficient methods for summarizing financial documents, which often contain complex facts and figures. Here, we study the problem of bullet point summarization of long Earning Call Transcripts (ECTs) using the recently released ECTSum dataset. We leverage an unsupervised question-based extractive module followed by a parameter efficient instruction-tuned abstractive module to solve this task. Our proposed model FLAN-FinBPS achieves new state-of-the-art performances outperforming the strongest baseline with 14.88% average ROUGE score gain, and is capable of generating factually consistent bullet point summaries that capture the important facts discussed in the ECTs.
Authors: Danyang Li, Mingyu Cai, Cristian-Ioan Vasile, Roberto Tron
Abstract: There has been a growing interest in extracting formal descriptions of the system behaviors from data. Signal Temporal Logic (STL) is an expressive formal language used to describe spatial-temporal properties with interpretability. This paper introduces TLINet, a neural-symbolic framework for learning STL formulas. The computation in TLINet is differentiable, enabling the usage of off-the-shelf gradient-based tools during the learning process. In contrast to existing approaches, we introduce approximation methods for max operator designed specifically for temporal logic-based gradient techniques, ensuring the correctness of STL satisfaction evaluation. Our framework not only learns the structure but also the parameters of STL formulas, allowing flexible combinations of operators and various logical structures. We validate TLINet against state-of-the-art baselines, demonstrating that our approach outperforms these baselines in terms of interpretability, compactness, rich expressibility, and computational efficiency.
Authors: Subhendu Khatuya, Rajdeep Mukherjee, Akash Ghosh, Manjunath Hegde, Koustuv Dasgupta, Niloy Ganguly, Saptarshi Ghosh, Pawan Goyal
Abstract: We study the problem of automatically annotating relevant numerals (GAAP metrics) occurring in the financial documents with their corresponding XBRL tags. Different from prior works, we investigate the feasibility of solving this extreme classification problem using a generative paradigm through instruction tuning of Large Language Models (LLMs). To this end, we leverage metric metadata information to frame our target outputs while proposing a parameter efficient solution for the task using LoRA. We perform experiments on two recently released financial numeric labeling datasets. Our proposed model, FLAN-FinXC, achieves new state-of-the-art performances on both the datasets, outperforming several strong baselines. We explain the better scores of our proposed model by demonstrating its capability for zero-shot as well as the least frequently occurring tags. Also, even when we fail to predict the XBRL tags correctly, our generated output has substantial overlap with the ground-truth in majority of the cases.
Authors: Yifeng Tian, Nishant Panda, Yen Ting Lin
Abstract: We present the Liouville Flow Importance Sampler (LFIS), an innovative flow-based model for generating samples from unnormalized density functions. LFIS learns a time-dependent velocity field that deterministically transports samples from a simple initial distribution to a complex target distribution, guided by a prescribed path of annealed distributions. The training of LFIS utilizes a unique method that enforces the structure of a derived partial differential equation to neural networks modeling velocity fields. By considering the neural velocity field as an importance sampler, sample weights can be computed through accumulating errors along the sample trajectories driven by neural velocity fields, ensuring unbiased and consistent estimation of statistical quantities. We demonstrate the effectiveness of LFIS through its application to a range of benchmark problems, on many of which LFIS achieved state-of-the-art performance.
Authors: Jin Han, Zhe Zheng, Xin-Zheng Lu, Ke-Yin Chen, Jia-Rui Lin
Abstract: Social media aids disaster response but suffers from noise, hindering accurate impact assessment and decision making for resilient cities, which few studies considered. To address the problem, this study proposes the first domain-specific LLM model and an integrated method for rapid earthquake impact assessment. First, a few categories are introduced to classify and filter microblogs considering their relationship to the physical and social impacts of earthquakes, and a dataset comprising 7282 earthquake-related microblogs from twenty earthquakes in different locations is developed as well. Then, with a systematic analysis of various influential factors, QuakeBERT, a domain-specific large language model (LLM), is developed and fine-tuned for accurate classification and filtering of microblogs. Meanwhile, an integrated method integrating public opinion trend analysis, sentiment analysis, and keyword-based physical impact quantification is introduced to assess both the physical and social impacts of earthquakes based on social media texts. Experiments show that data diversity and data volume dominate the performance of QuakeBERT and increase the macro average F1 score by 27%, while the best classification model QuakeBERT outperforms the CNN- or RNN-based models by improving the macro average F1 score from 60.87% to 84.33%. Finally, the proposed approach is applied to assess two earthquakes with the same magnitude and focal depth. Results show that the proposed approach can effectively enhance the impact assessment process by accurate detection of noisy microblogs, which enables effective post-disaster emergency responses to create more resilient cities.
Authors: Mikoto Kudo, Yohei Akimoto
Abstract: In general-sum stochastic games, a stationary Stackelberg equilibrium (SSE) does not always exist, in which the leader maximizes leader's return for all the initial states when the follower takes the best response against the leader's policy. Existing methods of determining the SSEs require strong assumptions to guarantee the convergence and the coincidence of the limit with the SSE. Moreover, our analysis suggests that the performance at the fixed points of these methods is not reasonable when they are not SSEs. Herein, we introduced the concept of Pareto-optimality as a reasonable alternative to SSEs. We derive the policy improvement theorem for stochastic games with the best-response follower and propose an iterative algorithm to determine the Pareto-optimal policies based on it. Monotone improvement and convergence of the proposed approach are proved, and its convergence to SSEs is proved in a special case.
Authors: Xianggen Liu, Yan Guo, Haoran Li, Jin Liu, Shudong Huang, Bowen Ke, Jiancheng Lv
Abstract: Large Language Models (LLMs) have made great strides in areas such as language processing and computer vision. Despite the emergence of diverse techniques to improve few-shot learning capacity, current LLMs fall short in handling the languages in biology and chemistry. For example, they are struggling to capture the relationship between molecule structure and pharmacochemical properties. Consequently, the few-shot learning capacity of small-molecule drug modification remains impeded. In this work, we introduced DrugLLM, a LLM tailored for drug design. During the training process, we employed Group-based Molecular Representation (GMR) to represent molecules, arranging them in sequences that reflect modifications aimed at enhancing specific molecular properties. DrugLLM learns how to modify molecules in drug discovery by predicting the next molecule based on past modifications. Extensive computational experiments demonstrate that DrugLLM can generate new molecules with expected properties based on limited examples, presenting a powerful few-shot molecule generation capacity.
Authors: Akhil Arora, Lars Klein, Nearchos Potamitis, Roland Aydin, Caglar Gulcehre, Robert West
Abstract: Large language models (LLMs) have significantly evolved, moving from simple output generation to complex reasoning and from stand-alone usage to being embedded into broader frameworks. In this paper, we introduce \emph{Fleet of Agents (FoA)}, a novel framework utilizing LLMs as agents to navigate through dynamic tree searches, employing a genetic-type particle filtering approach. FoA spawns a multitude of agents, each exploring autonomously, followed by a selection phase where resampling based on a heuristic value function optimizes the balance between exploration and exploitation. This mechanism enables dynamic branching, adapting the exploration strategy based on discovered solutions. We experimentally validate FoA using two benchmark tasks, "Game of 24" and "Mini-Crosswords". FoA outperforms the previously proposed Tree-of-Thoughts method in terms of efficacy and efficiency: it significantly decreases computational costs (by calling the value function less frequently) while preserving comparable or even superior accuracy.
Authors: Zhenqiao Song, Tinglin Huang, Lei Li, Wengong Jin
Abstract: How can we design proteins with desired functions? We are motivated by a chemical intuition that both geometric structure and biochemical properties are critical to a protein's function. In this paper, we propose SurfPro, a new method to generate functional proteins given a desired surface and its associated biochemical properties. SurfPro comprises a hierarchical encoder that progressively models the geometric shape and biochemical features of a protein surface, and an autoregressive decoder to produce an amino acid sequence. We evaluate SurfPro on a standard inverse folding benchmark CATH 4.2 and two functional protein design tasks: protein binder design and enzyme design. Our SurfPro consistently surpasses previous state-of-the-art inverse folding methods, achieving a recovery rate of 57.78% on CATH 4.2 and higher success rates in terms of protein-protein binding and enzyme-substrate interaction scores.
Authors: Goran Muric, Ben Delay, Steven Minton
Abstract: In this paper, we introduce the Interpretable Cross-Examination Technique (ICE-T), a novel approach that leverages structured multi-prompt techniques with Large Language Models (LLMs) to improve classification performance over zero-shot and few-shot methods. In domains where interpretability is crucial, such as medicine and law, standard models often fall short due to their "black-box" nature. ICE-T addresses these limitations by using a series of generated prompts that allow an LLM to approach the problem from multiple directions. The responses from the LLM are then converted into numerical feature vectors and processed by a traditional classifier. This method not only maintains high interpretability but also allows for smaller, less capable models to achieve or exceed the performance of larger, more advanced models under zero-shot conditions. We demonstrate the effectiveness of ICE-T across a diverse set of data sources, including medical records and legal documents, consistently surpassing the zero-shot baseline in terms of classification metrics such as F1 scores. Our results indicate that ICE-T can be used for improving both the performance and transparency of AI applications in complex decision-making environments.
Authors: Lun Ai, Stephen H. Muggleton, Shi-Shun Liang, Geoff S. Baldwin
Abstract: Techniques to autonomously drive research have been prominent in Computational Scientific Discovery, while Synthetic Biology is a field of science that focuses on designing and constructing new biological systems for useful purposes. Here we seek to apply logic-based machine learning techniques to facilitate cellular engineering and drive biological discovery. Comprehensive databases of metabolic processes called genome-scale metabolic network models (GEMs) are often used to evaluate cellular engineering strategies to optimise target compound production. However, predicted host behaviours are not always correctly described by GEMs, often due to errors in the models. The task of learning the intricate genetic interactions within GEMs presents computational and empirical challenges. To address these, we describe a novel approach called Boolean Matrix Logic Programming (BMLP) by leveraging boolean matrices to evaluate large logic programs. We introduce a new system, $BMLP_{active}$, which efficiently explores the genomic hypothesis space by guiding informative experimentation through active learning. In contrast to sub-symbolic methods, $BMLP_{active}$ encodes a state-of-the-art GEM of a widely accepted bacterial host in an interpretable and logical representation using datalog logic programs. Notably, $BMLP_{active}$ can successfully learn the interaction between a gene pair with fewer training examples than random experimentation, overcoming the increase in experimental design space. $BMLP_{active}$ enables rapid optimisation of metabolic models to reliably engineer biological systems for producing useful compounds. It offers a realistic approach to creating a self-driving lab for microbial engineering.
Authors: Jingkai Li
Abstract: With the rise of Large Language Models (LLMs), the novel metric "Brainscore" emerged as a means to evaluate the functional similarity between LLMs and human brain/neural systems. Our efforts were dedicated to mining the meaning of the novel score by constructing topological features derived from both human fMRI data involving 190 subjects, and 39 LLMs plus their untrained counterparts. Subsequently, we trained 36 Linear Regression Models and conducted thorough statistical analyses to discern reliable and valid features from our constructed ones. Our findings reveal distinctive feature combinations conducive to interpreting existing brainscores across various brain regions of interest (ROIs) and hemispheres, thereby significantly contributing to advancing interpretable machine learning (iML) studies. The study is enriched by our further discussions and analyses concerning existing brainscores. To our knowledge, this study represents the first attempt to comprehend the novel metric brainscore within this interdisciplinary domain.
Authors: Owen Davis, Gianluca Geraci, Mohammad Motamed
Abstract: In this work, we consider the approximation of a large class of bounded functions, with minimal regularity assumptions, by ReLU neural networks. We show that the approximation error can be bounded from above by a quantity proportional to the uniform norm of the target function and inversely proportional to the product of network width and depth. We inherit this approximation error bound from Fourier features residual networks, a type of neural network that uses complex exponential activation functions. Our proof is constructive and proceeds by conducting a careful complexity analysis associated with the approximation of a Fourier features residual network by a ReLU network.
Authors: Aleix Lafita, Ferran Gonzalez, Mahmoud Hossam, Paul Smyth, Jacob Deasy, Ari Allyn-Feuer, Daniel Seaton, Stephen Young
Abstract: Protein Language Models (PLMs) have emerged as performant and scalable tools for predicting the functional impact and clinical significance of protein-coding variants, but they still lag experimental accuracy. Here, we present a novel fine-tuning approach to improve the performance of PLMs with experimental maps of variant effects from Deep Mutational Scanning (DMS) assays using a Normalised Log-odds Ratio (NLR) head. We find consistent improvements in a held-out protein test set, and on independent DMS and clinical variant annotation benchmarks from ProteinGym and ClinVar. These findings demonstrate that DMS is a promising source of sequence diversity and supervised training data for improving the performance of PLMs for variant effect prediction.
Authors: Maedeh Sadeghi (Fault Detection and Identification), Mahdi Aliyari Shoorehdeli (Fault Detection and Identification), Shole jamali (Neuroscience Research Center, School of Medicine, Shahid Beheshti University of Medical Sciences, Tehran, Iran), Abbas Haghparast (Neuroscience Research Center, School of Medicine, Shahid Beheshti University of Medical Sciences, Tehran, Iran)
Abstract: In brain neural networks, Local Field Potential (LFP) signals represent the dynamic flow of information. Analyzing LFP clinical data plays a critical role in improving our understanding of brain mechanisms. One way to enhance our understanding of these mechanisms is to identify a global model to predict brain signals in different situations. This paper identifies a global data-driven based on LFP recordings of the Nucleus Accumbens and Hippocampus regions in freely moving rats. The LFP is recorded from each rat in two different situations: before and after the process of getting a reward which can be either a drug (Morphine) or natural food (like popcorn or biscuit). A comparison of five machine learning methods including Long Short Term Memory (LSTM), Echo State Network (ESN), Deep Echo State Network (DeepESN), Radial Basis Function (RBF), and Local Linear Model Tree (LLM) is conducted to develop this model. LoLiMoT was chosen with the best performance among all methods. This model can predict the future states of these regions with one pre-trained model. Identifying this model showed that Morphine and natural rewards do not change the dynamic features of neurons in these regions.
Authors: Xinyu Chang, Xiangyu Zhang, Haoruo Zhang, Yulu Ran
Abstract: This study explores the application of recurrent neural networks to recognize emotions conveyed in music, aiming to enhance music recommendation systems and support therapeutic interventions by tailoring music to fit listeners' emotional states. We utilize Russell's Emotion Quadrant to categorize music into four distinct emotional regions and develop models capable of accurately predicting these categories. Our approach involves extracting a comprehensive set of audio features using Librosa and applying various recurrent neural network architectures, including standard RNNs, Bidirectional RNNs, and Long Short-Term Memory (LSTM) networks. Initial experiments are conducted using a dataset of 900 audio clips, labeled according to the emotional quadrants. We compare the performance of our neural network models against a set of baseline classifiers and analyze their effectiveness in capturing the temporal dynamics inherent in musical expression. The results indicate that simpler RNN architectures may perform comparably or even superiorly to more complex models, particularly in smaller datasets. We've also applied the following experiments on larger datasets: one is augmented based on our original dataset, and the other is from other sources. This research not only enhances our understanding of the emotional impact of music but also demonstrates the potential of neural networks in creating more personalized and emotionally resonant music recommendation and therapy systems.
Authors: Vasileios Karampinis, Anastasios Arsenos, Orfeas Filippopoulos, Evangelos Petrongonas, Christos Skliros, Dimitrios Kollias, Stefanos Kollias, Athanasios Voulodimos
Abstract: In the last twenty years, unmanned aerial vehicles (UAVs) have garnered growing interest due to their expanding applications in both military and civilian domains. Detecting non-cooperative aerial vehicles with efficiency and estimating collisions accurately are pivotal for achieving fully autonomous aircraft and facilitating Advanced Air Mobility (AAM). This paper presents a deep-learning framework that utilizes optical sensors for the detection, tracking, and distance estimation of non-cooperative aerial vehicles. In implementing this comprehensive sensing framework, the availability of depth information is essential for enabling autonomous aerial vehicles to perceive and navigate around obstacles. In this work, we propose a method for estimating the distance information of a detected aerial object in real time using only the input of a monocular camera. In order to train our deep learning components for the object detection, tracking and depth estimation tasks we utilize the Amazon Airborne Object Tracking (AOT) Dataset. In contrast to previous approaches that integrate the depth estimation module into the object detector, our method formulates the problem as image-to-image translation. We employ a separate lightweight encoder-decoder network for efficient and robust depth estimation. In a nutshell, the object detection module identifies and localizes obstacles, conveying this information to both the tracking module for monitoring obstacle movement and the depth estimation module for calculating distances. Our approach is evaluated on the Airborne Object Tracking (AOT) dataset which is the largest (to the best of our knowledge) air-to-air airborne object dataset.
Authors: Reilly Pickard, Finn Wredenhagen, Julio DeJesus, Mario Schlener, Yuri Lawryshyn
Abstract: This article leverages deep reinforcement learning (DRL) to hedge American put options, utilizing the deep deterministic policy gradient (DDPG) method. The agents are first trained and tested with Geometric Brownian Motion (GBM) asset paths and demonstrate superior performance over traditional strategies like the Black-Scholes (BS) Delta, particularly in the presence of transaction costs. To assess the real-world applicability of DRL hedging, a second round of experiments uses a market calibrated stochastic volatility model to train DRL agents. Specifically, 80 put options across 8 symbols are collected, stochastic volatility model coefficients are calibrated for each symbol, and a DRL agent is trained for each of the 80 options by simulating paths of the respective calibrated model. Not only do DRL agents outperform the BS Delta method when testing is conducted using the same calibrated stochastic volatility model data from training, but DRL agents achieves better results when hedging the true asset path that occurred between the option sale date and the maturity. As such, not only does this study present the first DRL agents tailored for American put option hedging, but results on both simulated and empirical market testing data also suggest the optimality of DRL agents over the BS Delta method in real-world scenarios. Finally, note that this study employs a model-agnostic Chebyshev interpolation method to provide DRL agents with option prices at each time step when a stochastic volatility model is used, thereby providing a general framework for an easy extension to more complex underlying asset processes.
Authors: Bo Hui, Haolin Yuan, Neil Gong, Philippe Burlina, Yinzhi Cao
Abstract: Large Language Models (LLMs) enable a new ecosystem with many downstream applications, called LLM applications, with different natural language processing tasks. The functionality and performance of an LLM application highly depend on its system prompt, which instructs the backend LLM on what task to perform. Therefore, an LLM application developer often keeps a system prompt confidential to protect its intellectual property. As a result, a natural attack, called prompt leaking, is to steal the system prompt from an LLM application, which compromises the developer's intellectual property. Existing prompt leaking attacks primarily rely on manually crafted queries, and thus achieve limited effectiveness. In this paper, we design a novel, closed-box prompt leaking attack framework, called PLeak, to optimize an adversarial query such that when the attacker sends it to a target LLM application, its response reveals its own system prompt. We formulate finding such an adversarial query as an optimization problem and solve it with a gradient-based method approximately. Our key idea is to break down the optimization goal by optimizing adversary queries for system prompts incrementally, i.e., starting from the first few tokens of each system prompt step by step until the entire length of the system prompt. We evaluate PLeak in both offline settings and for real-world LLM applications, e.g., those on Poe, a popular platform hosting such applications. Our results show that PLeak can effectively leak system prompts and significantly outperforms not only baselines that manually curate queries but also baselines with optimized queries that are modified and adapted from existing jailbreaking attacks. We responsibly reported the issues to Poe and are still waiting for their response. Our implementation is available at this repository: https://github.com/BHui97/PLeak.
Authors: Salma J. Ahmed, Mustafa A. Elattar
Abstract: Developing new drugs is laborious and costly, demanding extensive time investment. In this study, we introduce an innovative de-novo drug design strategy, which harnesses the capabilities of language models to devise targeted drugs for specific proteins. Employing a Reinforcement Learning (RL) framework utilizing Proximal Policy Optimization (PPO), we refine the model to acquire a policy for generating drugs tailored to protein targets. Our method integrates a composite reward function, combining considerations of drug-target interaction and molecular validity. Following RL fine-tuning, our approach demonstrates promising outcomes, yielding notable improvements in molecular validity, interaction efficacy, and critical chemical properties, achieving 65.37 for Quantitative Estimation of Drug-likeness (QED), 321.55 for Molecular Weight (MW), and 4.47 for Octanol-Water Partition Coefficient (logP), respectively. Furthermore, out of the generated drugs, only 0.041\% do not exhibit novelty.
Authors: Guanyu Hu, Eleni Papadopoulou, Dimitrios Kollias, Paraskevi Tzouveli, Jie Wei, Xinyu Yang
Abstract: The increasing integration of machine learning algorithms in daily life underscores the critical need for fairness and equity in their deployment. As these technologies play a pivotal role in decision-making, addressing biases across diverse subpopulation groups, including age, gender, and race, becomes paramount. Automatic affect analysis, at the intersection of physiology, psychology, and machine learning, has seen significant development. However, existing databases and methodologies lack uniformity, leading to biased evaluations. This work addresses these issues by analyzing six affective databases, annotating demographic attributes, and proposing a common protocol for database partitioning. Emphasis is placed on fairness in evaluations. Extensive experiments with baseline and state-of-the-art methods demonstrate the impact of these changes, revealing the inadequacy of prior assessments. The findings underscore the importance of considering demographic attributes in affect analysis research and provide a foundation for more equitable methodologies. Our annotations, code and pre-trained models are available at: https://github.com/dkollias/Fair-Consistent-Affect-Analysis
URLs: https://github.com/dkollias/Fair-Consistent-Affect-Analysis
Authors: Mustafa Munir, William Avery, Md Mostafijur Rahman, Radu Marculescu
Abstract: Vision graph neural networks (ViG) offer a new avenue for exploration in computer vision. A major bottleneck in ViGs is the inefficient k-nearest neighbor (KNN) operation used for graph construction. To solve this issue, we propose a new method for designing ViGs, Dynamic Axial Graph Construction (DAGC), which is more efficient than KNN as it limits the number of considered graph connections made within an image. Additionally, we propose a novel CNN-GNN architecture, GreedyViG, which uses DAGC. Extensive experiments show that GreedyViG beats existing ViG, CNN, and ViT architectures in terms of accuracy, GMACs, and parameters on image classification, object detection, instance segmentation, and semantic segmentation tasks. Our smallest model, GreedyViG-S, achieves 81.1% top-1 accuracy on ImageNet-1K, 2.9% higher than Vision GNN and 2.2% higher than Vision HyperGraph Neural Network (ViHGNN), with less GMACs and a similar number of parameters. Our largest model, GreedyViG-B obtains 83.9% top-1 accuracy, 0.2% higher than Vision GNN, with a 66.6% decrease in parameters and a 69% decrease in GMACs. GreedyViG-B also obtains the same accuracy as ViHGNN with a 67.3% decrease in parameters and a 71.3% decrease in GMACs. Our work shows that hybrid CNN-GNN architectures not only provide a new avenue for designing efficient models, but that they can also exceed the performance of current state-of-the-art models.
Authors: Shuyuan Xu, Zelong Li, Kai Mei, Yongfeng Zhang
Abstract: Since their inception, programming languages have trended towards greater readability and lower barriers for programmers. Following this trend, natural language can be a promising type of programming language that provides great flexibility and usability and helps towards the democracy of programming. However, the inherent vagueness, ambiguity, and verbosity of natural language pose significant challenges in developing an interpreter that can accurately understand the programming logic and execute instructions written in natural language. Fortunately, recent advancements in Large Language Models (LLMs) have demonstrated remarkable proficiency in interpreting complex natural language. Inspired by this, we develop a novel system for Code Representation and Execution (CoRE), which employs LLM as interpreter to interpret and execute natural language instructions. The proposed system unifies natural language programming, pseudo-code programming, and flow programming under the same representation for constructing language agents, while LLM serves as the interpreter to interpret and execute the agent programs. In this paper, we begin with defining the programming syntax that structures natural language instructions logically. During the execution, we incorporate external memory to minimize redundancy. Furthermore, we equip the designed interpreter with the capability to invoke external tools, compensating for the limitations of LLM in specialized domains or when accessing real-time information. This work is open-source at https://github.com/agiresearch/CoRE.
Authors: Sofia Casarin, Oswald Lanz, Sergio Escalera
Abstract: Neural Architecture Search (NAS) methods have shown to output networks that largely outperform human-designed networks. However, conventional NAS methods have mostly tackled the single dataset scenario, incuring in a large computational cost as the procedure has to be run from scratch for every new dataset. In this work, we focus on predictor-based algorithms and propose a simple and efficient way of improving their prediction performance when dealing with data distribution shifts. We exploit the Kronecker-product on the randomly wired search-space and create a small NAS benchmark composed of networks trained over four different datasets. To improve the generalization abilities, we propose GRASP-GCN, a ranking Graph Convolutional Network that takes as additional input the shape of the layers of the neural networks. GRASP-GCN is trained with the not-at-convergence accuracies, and improves the state-of-the-art of 3.3 % for Cifar-10 and increasing moreover the generalization abilities under data distribution shift.
Authors: Zhixiong Zhuang, Maria-Irina Nicolae, Mario Fritz
Abstract: Deep reinforcement learning policies, which are integral to modern control systems, represent valuable intellectual property. The development of these policies demands considerable resources, such as domain expertise, simulation fidelity, and real-world validation. These policies are potentially vulnerable to model stealing attacks, which aim to replicate their functionality using only black-box access. In this paper, we propose Stealthy Imitation, the first attack designed to steal policies without access to the environment or knowledge of the input range. This setup has not been considered by previous model stealing methods. Lacking access to the victim's input states distribution, Stealthy Imitation fits a reward model that allows to approximate it. We show that the victim policy is harder to imitate when the distribution of the attack queries matches that of the victim. We evaluate our approach across diverse, high-dimensional control tasks and consistently outperform prior data-free approaches adapted for policy stealing. Lastly, we propose a countermeasure that significantly diminishes the effectiveness of the attack.
Authors: Jiale Han, Xiaowu Dai
Abstract: This paper proposes the conformal online auction design (COAD), a novel mechanism for maximizing revenue in online auctions by quantifying the uncertainty in bidders' values without relying on assumptions about value distributions. COAD incorporates both the bidder and item features and leverages historical data to provide an incentive-compatible mechanism for online auctions. Unlike traditional methods for online auctions, COAD employs a distribution-free, prediction interval-based approach using conformal prediction techniques. This novel approach ensures that the expected revenue from our mechanism can achieve at least a constant fraction of the revenue generated by the optimal mechanism. Additionally, COAD admits the use of a broad array of modern machine-learning methods, including random forests, kernel methods, and deep neural nets, for predicting bidders' values. It ensures revenue performance under any finite sample of historical data. Moreover, COAD introduces bidder-specific reserve prices based on the lower confidence bounds of bidders' valuations, which is different from the uniform reserve prices commonly used in the literature. We validate our theoretical predictions through extensive simulations and a real-data application. All code for using COAD and reproducing results is made available on GitHub.
Authors: Dimitris Bertsimas, Cynthia Zeng
Abstract: The escalating frequency and severity of natural disasters, exacerbated by climate change, underscore the critical role of insurance in facilitating recovery and promoting investments in risk reduction. This work introduces a novel Adaptive Robust Optimization (ARO) framework tailored for the calculation of catastrophe insurance premiums, with a case study applied to the United States National Flood Insurance Program (NFIP). To the best of our knowledge, it is the first time an ARO approach has been applied to for disaster insurance pricing. Our methodology is designed to protect against both historical and emerging risks, the latter predicted by machine learning models, thus directly incorporating amplified risks induced by climate change. Using the US flood insurance data as a case study, optimization models demonstrate effectiveness in covering losses and produce surpluses, with a smooth balance transition through parameter fine-tuning. Among tested optimization models, results show ARO models with conservative parameter values achieving low number of insolvent states with the least insurance premium charged. Overall, optimization frameworks offer versatility and generalizability, making it adaptable to a variety of natural disaster scenarios, such as wildfires, droughts, etc. This work not only advances the field of insurance premium modeling but also serves as a vital tool for policymakers and stakeholders in building resilience to the growing risks of natural catastrophes.
Authors: Aubrey Condor, Zachary Pardos
Abstract: We explore the use of deep reinforcement learning to audit an automatic short answer grading (ASAG) model. Automatic grading may decrease the time burden of rating open-ended items for educators, but a lack of robust evaluation methods for these models can result in uncertainty of their quality. Current state-of-the-art ASAG models are configured to match human ratings from a training set, and researchers typically assess their quality with accuracy metrics that signify agreement between model and human scores. In this paper, we show that a high level of agreement to human ratings does not give sufficient evidence that an ASAG model is infallible. We train a reinforcement learning agent to revise student responses with the objective of achieving a high rating from an automatic grading model in the least number of revisions. By analyzing the agent's revised responses that achieve a high grade from the ASAG model but would not be considered a high scoring responses according to a scoring rubric, we discover ways in which the automated grader can be exploited, exposing shortcomings in the grading model.
Authors: Bowen Deng, Yunyeong Choi, Peichen Zhong, Janosh Riebesell, Shashwat Anand, Zhuohan Li, KyuJung Jun, Kristin A. Persson, Gerbrand Ceder
Abstract: Machine learning interatomic potentials (MLIPs) have introduced a new paradigm for atomic simulations. Recent advancements have seen the emergence of universal MLIPs (uMLIPs) that are pre-trained on diverse materials datasets, providing opportunities for both ready-to-use universal force fields and robust foundations for downstream machine learning refinements. However, their performance in extrapolating to out-of-distribution complex atomic environments remains unclear. In this study, we highlight a consistent potential energy surface (PES) softening effect in three uMLIPs: M3GNet, CHGNet, and MACE-MP-0, which is characterized by energy and force under-prediction in a series of atomic-modeling benchmarks including surfaces, defects, solid-solution energetics, phonon vibration modes, ion migration barriers, and general high-energy states. We find that the PES softening behavior originates from a systematic underprediction error of the PES curvature, which derives from the biased sampling of near-equilibrium atomic arrangements in uMLIP pre-training datasets. We demonstrate that the PES softening issue can be effectively rectified by fine-tuning with a single additional data point. Our findings suggest that a considerable fraction of uMLIP errors are highly systematic, and can therefore be efficiently corrected. This result rationalizes the data-efficient fine-tuning performance boost commonly observed with foundational MLIPs. We argue for the importance of a comprehensive materials dataset with improved PES sampling for next-generation foundational MLIPs.
Authors: Narasimha Raghavan Veeraragavan, Mohammad Hossein Tabatabaei, Severin Elvatun, Vibeke Binz Vallevik, Siri Lar{\o}nningen, Jan F Nyg{\aa}rd
Abstract: Synthetic data generation is increasingly recognized as a crucial solution to address data related challenges such as scarcity, bias, and privacy concerns. As synthetic data proliferates, the need for a robust evaluation framework to select a synthetic data generator becomes more pressing given the variety of options available. In this research study, we investigate two primary questions: 1) How can we select the most suitable synthetic data generator from a set of options for a specific purpose? 2) How can we make the selection process more transparent, accountable, and auditable? To address these questions, we introduce a novel approach in which the proposed ranking algorithm is implemented as a smart contract within a permissioned blockchain framework called Sawtooth. Through comprehensive experiments and comparisons with state-of-the-art baseline ranking solutions, our framework demonstrates its effectiveness in providing nuanced rankings that consider both desirable and undesirable properties. Furthermore, our framework serves as a valuable tool for selecting the optimal synthetic data generators for specific needs while ensuring compliance with data protection principles.
Authors: Shentong Mo, Haofan Wang, Huaxia Li, Xu Tang
Abstract: Video-language pre-training is a typical and challenging problem that aims at learning visual and textual representations from large-scale data in a self-supervised way. Existing pre-training approaches either captured the correspondence of image-text pairs or utilized temporal ordering of frames. However, they do not explicitly explore the natural synchronization between audio and the other two modalities. In this work, we propose an enhanced framework for Video-Language pre-training with Synchronized Audio, termed as VLSA, that can learn tri-modal representations in a unified self-supervised transformer. Specifically, our VLSA jointly aggregates embeddings of local patches and global tokens for video, text, and audio. Furthermore, we utilize local-patch masked modeling to learn modality-aware features, and leverage global audio matching to capture audio-guided features for video and text. We conduct extensive experiments on retrieval across text, video, and audio. Our simple model pre-trained on only 0.9M data achieves improving results against state-of-the-art baselines. In addition, qualitative visualizations vividly showcase the superiority of our VLSA in learning discriminative visual-textual representations.
Authors: Davide Legacci, Panayotis Mertikopoulos, Bary Pradelski
Abstract: In view of the complexity of the dynamics of no-regret learning in games, we seek to decompose a finite game into simpler components where the day-to-day behavior of the dynamics is well understood. A natural starting point for this is Helmholtz's theorem, which resolves a vector field into a potential and an incompressible component. However, the geometry of no-regret dynamics - and, in particular, the dynamics of exponential / multiplicative weights (EW) schemes - is not compatible with the Euclidean underpinnings of Helmholtz's theorem, leading us to consider a Riemannian framework based on the Shahshahani metric. Using this geometric construction, we introduce the class of incompressible games, and we prove the following results: First, in addition to being volume-preserving, the continuous-time EW dynamics in incompressible games admit a constant of motion and are Poincar\'e recurrent - i.e., almost every trajectory of play comes arbitrarily close to its starting point infinitely often. Second, we establish a deep connection with a well-known decomposition of games into a potential and harmonic component (where the players' objectives are aligned and anti-aligned respectively): a game is incompressible if and only if it is harmonic, implying in turn that the EW dynamics lead to Poincar\'e recurrence in harmonic games.
Authors: Xinbiao Wang, Yuxuan Du, Kecheng Liu, Yong Luo, Bo Du, Dacheng Tao
Abstract: The No-Free-Lunch (NFL) theorem, which quantifies problem- and data-independent generalization errors regardless of the optimization process, provides a foundational framework for comprehending diverse learning protocols' potential. Despite its significance, the establishment of the NFL theorem for quantum machine learning models remains largely unexplored, thereby overlooking broader insights into the fundamental relationship between quantum and classical learning protocols. To address this gap, we categorize a diverse array of quantum learning algorithms into three learning protocols designed for learning quantum dynamics under a specified observable and establish their NFL theorem. The exploited protocols, namely Classical Learning Protocols (CLC-LPs), Restricted Quantum Learning Protocols (ReQu-LPs), and Quantum Learning Protocols (Qu-LPs), offer varying levels of access to quantum resources. Our derived NFL theorems demonstrate quadratic reductions in sample complexity across CLC-LPs, ReQu-LPs, and Qu-LPs, contingent upon the orthogonality of quantum states and the diagonality of observables. We attribute this performance discrepancy to the unique capacity of quantum-related learning protocols to indirectly utilize information concerning the global phases of non-orthogonal quantum states, a distinctive physical feature inherent in quantum mechanics. Our findings not only deepen our understanding of quantum learning protocols' capabilities but also provide practical insights for the development of advanced quantum learning algorithms.
Authors: Justin K. Miller, Tristram J. Alexander
Abstract: Large language models have seen extraordinary growth in popularity due to their human-like content generation capabilities. We show that these models can also be used to successfully cluster human-generated content, with success defined through the measures of distinctiveness and interpretability. This success is validated by both human reviewers and ChatGPT, providing an automated means to close the 'validation gap' that has challenged short-text clustering. Comparing the machine and human approaches we identify the biases inherent in each, and question the reliance on human-coding as the 'gold standard'. We apply our methodology to Twitter bios and find characteristic ways humans describe themselves, agreeing well with prior specialist work, but with interesting differences characteristic of the medium used to express identity.
Authors: Masane Fuchi, Tomohiro Takagi
Abstract: Generating images from text has become easier because of the scaling of diffusion models and advancements in the field of vision and language. These models are trained using vast amounts of data from the Internet. Hence, they often contain undesirable content such as copyrighted material. As it is challenging to remove such data and retrain the models, methods for erasing specific concepts from pre-trained models have been investigated. We propose a novel concept-erasure method that updates the text encoder using few-shot unlearning in which a few real images are used. The discussion regarding the generated images after erasing a concept has been lacking. While there are methods for specifying the transition destination for concepts, the validity of the specified concepts is unclear. Our method implicitly achieves this by transitioning to the latent concepts inherent in the model or the images. Our method can erase a concept within 10 s, making concept erasure more accessible than ever before. Implicitly transitioning to related concepts leads to more natural concept erasure. We applied the proposed method to various concepts and confirmed that concept erasure can be achieved tens to hundreds of times faster than with current methods. By varying the parameters to be updated, we obtained results suggesting that, like previous research, knowledge is primarily accumulated in the feed-forward networks of the text encoder.
Authors: Yang Jin, Jun Lv, Shuqiang Jiang, Cewu Lu
Abstract: Generating robot demonstrations through simulation is widely recognized as an effective way to scale up robot data. Previous work often trained reinforcement learning agents to generate expert policies, but this approach lacks sample efficiency. Recently, a line of work has attempted to generate robot demonstrations via differentiable simulation, which is promising but heavily relies on reward design, a labor-intensive process. In this paper, we propose DiffGen, a novel framework that integrates differentiable physics simulation, differentiable rendering, and a vision-language model to enable automatic and efficient generation of robot demonstrations. Given a simulated robot manipulation scenario and a natural language instruction, DiffGen can generate realistic robot demonstrations by minimizing the distance between the embedding of the language instruction and the embedding of the simulated observation after manipulation. The embeddings are obtained from the vision-language model, and the optimization is achieved by calculating and descending gradients through the differentiable simulation, differentiable rendering, and vision-language model components, thereby accomplishing the specified task. Experiments demonstrate that with DiffGen, we could efficiently and effectively generate robot data with minimal human effort or training time.
Authors: Petar Bevanda, Bas Driessen, Lucian Cristian Iacob, Roland Toth, Stefan Sosnowski, Sandra Hirche
Abstract: Linearity of Koopman operators and simplicity of their estimators coupled with model-reduction capabilities has lead to their great popularity in applications for learning dynamical systems. While nonparametric Koopman operator learning in infinite-dimensional reproducing kernel Hilbert spaces is well understood for autonomous systems, its control system analogues are largely unexplored. Addressing systems with control inputs in a principled manner is crucial for fully data-driven learning of controllers, especially since existing approaches commonly resort to representational heuristics or parametric models of limited expressiveness and scalability. We address the aforementioned challenge by proposing a universal framework via control-affine reproducing kernels that enables direct estimation of a single operator even for control systems. The proposed approach, called control-Koopman operator regression (cKOR), is thus completely analogous to Koopman operator regression of the autonomous case. First in the literature, we present a nonparametric framework for learning Koopman operator representations of nonlinear control-affine systems that does not suffer from the curse of control input dimensionality. This allows for reformulating the infinite-dimensional learning problem in a finite-dimensional space based solely on data without apriori loss of precision due to a restriction to a finite span of functions or inputs as in other approaches. For enabling applications to large-scale control systems, we also enhance the scalability of control-Koopman operator estimators by leveraging random projections (sketching). The efficacy of our novel cKOR approach is demonstrated on both forecasting and control tasks.
Authors: Kongyang Chen, Zeming Xu, Bing Mi
Abstract: With the widespread application of machine learning technology in recent years, the demand for training data has increased significantly, leading to the emergence of research areas such as data trading. The work in this field is still in the developmental stage. Different buyers have varying degrees of demand for various types of data, and auctions play a role in such scenarios due to their authenticity and fairness. Recent related work has proposed combination auction mechanisms for different domains. However, such mechanisms have not addressed the privacy concerns of buyers. In this paper, we design a \textit{Data Trading Combination Auction Mechanism based on the exponential mechanism} (DCAE) to protect buyers' bidding privacy from being leaked. We apply the exponential mechanism to select the final settlement price for the auction and generate a probability distribution based on the relationship between the price and the revenue. In the experimental aspect, we consider the selection of different mechanisms under two scenarios, and the experimental results show that this method can ensure high auction revenue and protect buyers' privacy from being violated.
Authors: Yadong Zhang, Pranav M Karve, Sankaran Mahadevan
Abstract: This article investigates the ability of graph neural networks (GNNs) to identify risky conditions in a power grid over the subsequent few hours, without explicit, high-resolution information regarding future generator on/off status (grid topology) or power dispatch decisions. The GNNs are trained using supervised learning, to predict the power grid's aggregated bus-level (either zonal or system-level) or individual branch-level state under different power supply and demand conditions. The variability of the stochastic grid variables (wind/solar generation and load demand), and their statistical correlations, are rigorously considered while generating the inputs for the training data. The outputs in the training data, obtained by solving numerous mixed-integer linear programming (MILP) optimal power flow problems, correspond to system-level, zonal and transmission line-level quantities of interest (QoIs). The QoIs predicted by the GNNs are used to conduct hours-ahead, sampling-based reliability and risk assessment w.r.t. zonal and system-level (load shedding) as well as branch-level (overloading) failure events. The proposed methodology is demonstrated for three synthetic grids with sizes ranging from 118 to 2848 buses. Our results demonstrate that GNNs are capable of providing fast and accurate prediction of QoIs and can be good proxies for computationally expensive MILP algorithms. The excellent accuracy of GNN-based reliability and risk assessment suggests that GNN models can substantially improve situational awareness by quickly providing rigorous reliability and risk estimates.
Authors: Ofir Ben Shoham, Nadav Rappoport
Abstract: We present MedConceptsQA, a dedicated open source benchmark for medical concepts question answering. The benchmark comprises of questions of various medical concepts across different vocabularies: diagnoses, procedures, and drugs. The questions are categorized into three levels of difficulty: easy, medium, and hard. We conducted evaluations of the benchmark using various Large Language Models. Our findings show that pre-trained clinical Large Language Models achieved accuracy levels close to random guessing on this benchmark, despite being pre-trained on medical data. However, GPT-4 achieves an absolute average improvement of nearly 27%-37% (27% for zero-shot learning and 37% for few-shot learning) when compared to clinical Large Language Models. Our benchmark serves as a valuable resource for evaluating the understanding and reasoning of medical concepts by Large Language Models. Our benchmark is available at https://huggingface.co/datasets/ofir408/MedConceptsQA
Authors: Sushant Gautam, Mehdi Houshmand Sarkhoosh, Jan Held, Cise Midoglu, Anthony Cioppa, Silvio Giancola, Vajira Thambawita, Michael A. Riegler, P{\aa}l Halvorsen, Mubarak Shah
Abstract: The application of Automatic Speech Recognition (ASR) technology in soccer offers numerous opportunities for sports analytics. Specifically, extracting audio commentaries with ASR provides valuable insights into the events of the game, and opens the door to several downstream applications such as automatic highlight generation. This paper presents SoccerNet-Echoes, an augmentation of the SoccerNet dataset with automatically generated transcriptions of audio commentaries from soccer game broadcasts, enhancing video content with rich layers of textual information derived from the game audio using ASR. These textual commentaries, generated using the Whisper model and translated with Google Translate, extend the usefulness of the SoccerNet dataset in diverse applications such as enhanced action spotting, automatic caption generation, and game summarization. By incorporating textual data alongside visual and auditory content, SoccerNet-Echoes aims to serve as a comprehensive resource for the development of algorithms specialized in capturing the dynamics of soccer games. We detail the methods involved in the curation of this dataset and the integration of ASR. We also highlight the implications of a multimodal approach in sports analytics, and how the enriched dataset can support diverse applications, thus broadening the scope of research and development in the field of sports analytics.
Authors: Felix J. Dorfner, Janis L. Vahldiek, Leonhard Donle, Andrei Zhukov, Lina Xu, Hartmut H\"antze, Marcus R. Makowski, Hugo J. W. L. Aerts, Fabian Proft, Valeria Rios Rodriguez, Judith Rademacher, Mikhail Protopopov, Hildrun Haibel, Torsten Diekhoff, Murat Torgutalp, Lisa C. Adams, Denis Poddubnyy, Keno K. Bressem
Abstract: Purpose: To examine whether incorporating anatomical awareness into a deep learning model can improve generalizability and enable prediction of disease progression. Methods: This retrospective multicenter study included conventional pelvic radiographs of 4 different patient cohorts focusing on axial spondyloarthritis (axSpA) collected at university and community hospitals. The first cohort, which consisted of 1483 radiographs, was split into training (n=1261) and validation (n=222) sets. The other cohorts comprising 436, 340, and 163 patients, respectively, were used as independent test datasets. For the second cohort, follow-up data of 311 patients was used to examine progression prediction capabilities. Two neural networks were trained, one on images cropped to the bounding box of the sacroiliac joints (anatomy-aware) and the other one on full radiographs. The performance of the models was compared using the area under the receiver operating characteristic curve (AUC), accuracy, sensitivity, and specificity. Results: On the three test datasets, the standard model achieved AUC scores of 0.853, 0.817, 0.947, with an accuracy of 0.770, 0.724, 0.850. Whereas the anatomy-aware model achieved AUC scores of 0.899, 0.846, 0.957, with an accuracy of 0.821, 0.744, 0.906, respectively. The patients who were identified as high risk by the anatomy aware model had an odds ratio of 2.16 (95% CI: 1.19, 3.86) for having progression of radiographic sacroiliitis within 2 years. Conclusion: Anatomical awareness can improve the generalizability of a deep learning model in detecting radiographic sacroiliitis. The model is published as fully open source alongside this study.
Authors: Max Yang, Chenghua Lu, Alex Church, Yijiong Lin, Chris Ford, Haoran Li, Efi Psomopoulou, David A. W. Barton, Nathan F. Lepora
Abstract: In-hand manipulation is an integral component of human dexterity. Our hands rely on tactile feedback for stable and reactive motions to ensure objects do not slip away unintentionally during manipulation. For a robot hand, this level of dexterity requires extracting and utilizing rich contact information for precise motor control. In this paper, we present AnyRotate, a system for gravity-invariant multi-axis in-hand object rotation using dense featured sim-to-real touch. We construct a continuous contact feature representation to provide tactile feedback for training a policy in simulation and introduce an approach to perform zero-shot policy transfer by training an observation model to bridge the sim-to-real gap. Our experiments highlight the benefit of detailed contact information when handling objects with varying properties. In the real world, we demonstrate successful sim-to-real transfer of the dense tactile policy, generalizing to a diverse range of objects for various rotation axes and hand directions and outperforming other forms of low-dimensional touch. Interestingly, despite not having explicit slip detection, rich multi-fingered tactile sensing can implicitly detect object movement within grasp and provide a reactive behavior that improves the robustness of the policy, highlighting the importance of information-rich tactile sensing for in-hand manipulation.
Authors: Boya Hou, Sina Sanjari, Alec Koppel, Subhonmesh Bose
Abstract: The conditional mean embedding (CME) encodes Markovian stochastic kernels through their actions on probability distributions embedded within the reproducing kernel Hilbert spaces (RKHS). The CME plays a key role in several well-known machine learning tasks such as reinforcement learning, analysis of dynamical systems, etc. We present an algorithm to learn the CME incrementally from data via an operator-valued stochastic gradient descent. As is well-known, function learning in RKHS suffers from scalability challenges from large data. We utilize a compression mechanism to counter the scalability challenge. The core contribution of this paper is a finite-sample performance guarantee on the last iterate of the online compressed operator learning algorithm with fast-mixing Markovian samples, when the target CME may not be contained in the hypothesis space. We illustrate the efficacy of our algorithm by applying it to the analysis of an example dynamical system.
Authors: Mu-Huan Miles Chung, Sharon Li, Jaturong Kongmanee, Lu Wang, Yuhong Yang, Calvin Giang, Khilan Jerath, Abhay Raman, David Lie, Mark Chignell
Abstract: Redacted emails satisfy most privacy requirements but they make it more difficult to detect anomalous emails that may be indicative of data exfiltration. In this paper we develop an enhanced method of Active Learning using an information gain maximizing heuristic, and we evaluate its effectiveness in a real world setting where only redacted versions of email could be labeled by human analysts due to privacy concerns. In the first case study we examined how Active Learning should be carried out. We found that model performance was best when a single highly skilled (in terms of the labelling task) analyst provided the labels. In the second case study we used confidence ratings to estimate the labeling uncertainty of analysts and then prioritized instances for labeling based on the expected information gain (the difference between model uncertainty and analyst uncertainty) that would be provided by labelling each instance. We found that the information maximization gain heuristic improved model performance over existing sampling methods for Active Learning. Based on the results obtained, we recommend that analysts should be screened, and possibly trained, prior to implementation of Active Learning in cybersecurity applications. We also recommend that the information gain maximizing sample method (based on expert confidence) should be used in early stages of Active Learning, providing that well-calibrated confidence can be obtained. We also note that the expertise of analysts should be assessed prior to Active Learning, as we found that analysts with lower labelling skill had poorly calibrated (over-) confidence in their labels.
Authors: Karim Abbasi, Parvin Razzaghi, Amin Ghareyazi, Hamid R. Rabiee
Abstract: The protein-ligand binding affinity (PLA) prediction goal is to predict whether or not the ligand could bind to a protein sequence. Recently, in PLA prediction, deep learning has received much attention. Two steps are involved in deep learning-based approaches: feature extraction and task prediction step. Many deep learning-based approaches concentrate on introducing new feature extraction networks or integrating auxiliary knowledge like protein-protein interaction networks or gene ontology knowledge. Then, a task prediction network is designed simply using some fully connected layers. This paper aims to integrate retrieved similar hard protein-ligand pairs in PLA prediction (i.e., task prediction step) using a semi-supervised graph convolutional network (GCN). Hard protein-ligand pairs are retrieved for each input query sample based on the manifold smoothness constraint. Then, a graph is learned automatically in which each node is a protein-ligand pair, and each edge represents the similarity between pairs. In other words, an end-to-end framework is proposed that simultaneously retrieves hard similar samples, learns protein-ligand descriptor, learns the graph topology of the input sample with retrieved similar hard samples (learn adjacency matrix), and learns a semi-supervised GCN to predict the binding affinity (as task predictor). The training step adjusts the parameter values, and in the inference step, the learned model is fine-tuned for each input sample. To evaluate the proposed approach, it is applied to the four well-known PDBbind, Davis, KIBA, and BindingDB datasets. The results show that the proposed method significantly performs better than the comparable approaches.
Authors: Hao Yang, Ayberk Acar, Keshuai Xu, Anton Deguet, Peter Kazanzides, Jie Ying Wu
Abstract: In this study, we further investigate the robustness and generalization ability of an neural network (NN) based force estimation method, using the da Vinci Research Kit Si (dVRK-Si). To evaluate our method's performance, we compare the force estimation accuracy with several baseline methods. We conduct comparative studies between the dVRK classic and dVRK-Si systems to benchmark the effectiveness of these approaches. We conclude that the NN-based method provides comparable force estimation accuracy across the two systems, as the average root mean square error (RMSE) over the average range of force ratio is approximately 3.07% for the dVRK classic, and 5.27% for the dVRK-Si. On the dVRK-Si, the force estimation RMSEs for all the baseline methods are 2 to 4 times larger than the NN-based method in all directions. One possible reason is, we made assumptions in the baseline methods that static forces remain the same or dynamics is time-invariant. These assumptions may hold for the dVRK Classic, as it has pre-loaded weight and maintains horizontal self balance. Since the dVRK-Si configuration does not have this property, assumptions do not hold anymore, therefore the NN-based method significantly outperforms.
Authors: Khai Nguyen, Hai Nguyen, Nhat Ho
Abstract: The sliced Wasserstein barycenter (SWB) is a widely acknowledged method for efficiently generalizing the averaging operation within probability measure spaces. However, achieving marginal fairness SWB, ensuring approximately equal distances from the barycenter to marginals, remains unexplored. The uniform weighted SWB is not necessarily the optimal choice to obtain the desired marginal fairness barycenter due to the heterogeneous structure of marginals and the non-optimality of the optimization. As the first attempt to tackle the problem, we define the marginal fairness sliced Wasserstein barycenter (MFSWB) as a constrained SWB problem. Due to the computational disadvantages of the formal definition, we propose two hyperparameter-free and computationally tractable surrogate MFSWB problems that implicitly minimize the distances to marginals and encourage marginal fairness at the same time. To further improve the efficiency, we perform slicing distribution selection and obtain the third surrogate definition by introducing a new slicing distribution that focuses more on marginally unfair projecting directions. We discuss the relationship of the three proposed problems and their relationship to sliced multi-marginal Wasserstein distance. Finally, we conduct experiments on finding 3D point-clouds averaging, color harmonization, and training of sliced Wasserstein autoencoder with class-fairness representation to show the favorable performance of the proposed surrogate MFSWB problems.
Authors: Matthias M\"uller, Samarth Brahmbhatt, Ankur Deka, Quentin Leboutet, David Hafner, Vladlen Koltun
Abstract: We introduce OpenBot-Fleet, a comprehensive open-source cloud robotics system for navigation. OpenBot-Fleet uses smartphones for sensing, local compute and communication, Google Firebase for secure cloud storage and off-board compute, and a robust yet low-cost wheeled robot toact in real-world environments. The robots collect task data and upload it to the cloud where navigation policies can be learned either offline or online and can then be sent back to the robot fleet. In our experiments we distribute 72 robots to a crowd of workers who operate them in homes, and show that OpenBot-Fleet can learn robust navigation policies that generalize to unseen homes with >80% success rate. OpenBot-Fleet represents a significant step forward in cloud robotics, making it possible to deploy large continually learning robot fleets in a cost-effective and scalable manner. All materials can be found at https://www.openbot.org. A video is available at https://youtu.be/wiv2oaDgDi8
URLs: https://www.openbot.org., https://youtu.be/wiv2oaDgDi8
Authors: Caixing Wang, Ziliang Shen
Abstract: In this paper, we focus on distributed estimation and support recovery for high-dimensional linear quantile regression. Quantile regression is a popular alternative tool to the least squares regression for robustness against outliers and data heterogeneity. However, the non-smoothness of the check loss function poses big challenges to both computation and theory in the distributed setting. To tackle these problems, we transform the original quantile regression into the least-squares optimization. By applying a double-smoothing approach, we extend a previous Newton-type distributed approach without the restrictive independent assumption between the error term and covariates. An efficient algorithm is developed, which enjoys high computation and communication efficiency. Theoretically, the proposed distributed estimator achieves a near-oracle convergence rate and high support recovery accuracy after a constant number of iterations. Extensive experiments on synthetic examples and a real data application further demonstrate the effectiveness of the proposed method.
Authors: Camelia Oprea, Mike Gr\"une, Mateusz Buglowski, Lena Olivier, Thorsten Orlikowsky, Stefan Kowalewski, Mark Schoberer, Andr\'e Stollenwerk
Abstract: With the digitalization of health care systems, artificial intelligence becomes more present in medicine. Especially machine learning shows great potential for complex tasks such as time series classification, usually at the cost of transparency and comprehensibility. This leads to a lack of trust by humans and thus hinders its active usage. Explainable artificial intelligence tries to close this gap by providing insight into the decision-making process, the actual usefulness of its different methods is however unclear. This paper proposes a user study based evaluation of the explanation method Grad-CAM with application to a neural network for the classification of breaths in time series neonatal ventilation data. We present the perceived usefulness of the explainability method by different stakeholders, exposing the difficulty to achieve actual transparency and the wish for more in-depth explanations by many of the participants.
Authors: Leon Gerard, Michael Scherbela, Halvard Sutterud, Matthew Foulkes, Philipp Grohs
Abstract: Deep-Learning-based Variational Monte Carlo (DL-VMC) has recently emerged as a highly accurate approach for finding approximate solutions to the many-electron Schr\"odinger equation. Despite its favorable scaling with the number of electrons, $\mathcal{O}(n_\text{el}^{4})$, the practical value of DL-VMC is limited by the high cost of optimizing the neural network weights for every system studied. To mitigate this problem, recent research has proposed optimizing a single neural network across multiple systems, reducing the cost per system. Here we extend this approach to solids, where similar but distinct calculations using different geometries, boundary conditions, and supercell sizes are often required. We show how to optimize a single ansatz across all of these variations, reducing the required number of optimization steps by an order of magnitude. Furthermore, we exploit the transfer capabilities of a pre-trained network. We successfully transfer a network, pre-trained on 2x2x2 supercells of LiH, to 3x3x3 supercells. This reduces the number of optimization steps required to simulate the large system by a factor of 50 compared to previous work.
Authors: Elena Merdjanovska, Ansar Aynetdinov, Alan Akbik
Abstract: Available training data for named entity recognition (NER) often contains a significant percentage of incorrect labels for entity types and entity boundaries. Such label noise poses challenges for supervised learning and may significantly deteriorate model quality. To address this, prior work proposed various noise-robust learning approaches capable of learning from data with partially incorrect labels. These approaches are typically evaluated using simulated noise where the labels in a clean dataset are automatically corrupted. However, as we show in this paper, this leads to unrealistic noise that is far easier to handle than real noise caused by human error or semi-automatic annotation. To enable the study of the impact of various types of real noise, we introduce NoiseBench, an NER benchmark consisting of clean training data corrupted with 6 types of real noise, including expert errors, crowdsourcing errors, automatic annotation errors and LLM errors. We present an analysis that shows that real noise is significantly more challenging than simulated noise, and show that current state-of-the-art models for noise-robust learning fall far short of their theoretically achievable upper bound. We release NoiseBench to the research community.
Authors: Michael Kohler, Adam Krzyzak, Benjamin Walter
Abstract: Image classification based on over-parametrized convolutional neural networks with a global average-pooling layer is considered. The weights of the network are learned by gradient descent. A bound on the rate of convergence of the difference between the misclassification risk of the newly introduced convolutional neural network estimate and the minimal possible value is derived.
Authors: Daniel Cutting, Fr\'ed\'eric A. Dreyer, David Errington, Constantin Schneider, Charlotte M. Deane
Abstract: We introduce IgDiff, an antibody variable domain diffusion model based on a general protein backbone diffusion framework which was extended to handle multiple chains. Assessing the designability and novelty of the structures generated with our model, we find that IgDiff produces highly designable antibodies that can contain novel binding regions. The backbone dihedral angles of sampled structures show good agreement with a reference antibody distribution. We verify these designed antibodies experimentally and find that all express with high yield. Finally, we compare our model with a state-of-the-art generative backbone diffusion model on a range of antibody design tasks, such as the design of the complementarity determining regions or the pairing of a light chain to an existing heavy chain, and show improved properties and designability.
Authors: Anirudh Dash, Aditya Siripuram
Abstract: Motivated by orthogonal dictionary learning problems, we propose a novel method for matrix factorization, where the data matrix $\mathbf{Y}$ is a product of a Householder matrix $\mathbf{H}$ and a binary matrix $\mathbf{X}$. First, we show that the exact recovery of the factors $\mathbf{H}$ and $\mathbf{X}$ from $\mathbf{Y}$ is guaranteed with $\Omega(1)$ columns in $\mathbf{Y}$ . Next, we show approximate recovery (in the $l\infty$ sense) can be done in polynomial time($O(np)$) with $\Omega(\log n)$ columns in $\mathbf{Y}$ . We hope the techniques in this work help in developing alternate algorithms for orthogonal dictionary learning.
Authors: Amir Jahangiri (Department of Chemistry,Molecular Biology, Swedish NMR Centre, University of Gothenburg, Sweden), Vladislav Orekhov (Department of Chemistry,Molecular Biology, Swedish NMR Centre, University of Gothenburg, Sweden)
Abstract: Smart signal processing approaches using Artificial Intelligence are gaining momentum in NMR applications. In this study, we demonstrate that AI offers new opportunities beyond tasks addressed by traditional techniques. We developed and trained several artificial neural networks in our new toolbox Magnetic Resonance with Artificial intelligence (MR-Ai) to solve three "impossible" problems: quadrature detection using only Echo (or Anti-Echo) modulation from the traditional Echo/Anti-Echo scheme; accessing uncertainty of signal intensity at each point in a spectrum processed by any given method; and defining a reference-free score for quantitative access of NMR spectrum quality. Our findings highlight the potential of AI techniques to revolutionize NMR processing and analysis.
Authors: Nadezhda Semenova
Abstract: In recent years, more and more works have appeared devoted to the analog (hardware) implementation of artificial neural networks, in which neurons and the connection between them are based not on computer calculations, but on physical principles. Such networks offer improved energy efficiency and, in some cases, scalability, but may be susceptible to internal noise. This paper studies the influence of noise on the functioning of recurrent networks using the example of trained echo state networks (ESNs). The most common reservoir connection matrices were chosen as various topologies of ESNs: random uniform and band matrices with different connectivity. White Gaussian noise was chosen as the influence, and according to the way of its introducing it was additive or multiplicative, as well as correlated or uncorrelated. In the paper, we show that the propagation of noise in reservoir is mainly controlled by the statistical properties of the output connection matrix, namely the mean and the mean square. Depending on these values, more correlated or uncorrelated noise accumulates in the network. We also show that there are conditions under which even noise with an intensity of $10^{-20}$ is already enough to completely lose the useful signal. In the article we show which types of noise are most critical for networks with different activation functions (hyperbolic tangent, sigmoid and linear) and if the network is self-closed.
Authors: Martin Berglund, Willeke Martens, Brink van der Merwe
Abstract: Many natural language processing systems operate over tokenizations of text to address the open-vocabulary problem. In this paper, we give and analyze an algorithm for the efficient construction of deterministic finite automata designed to operate directly on tokenizations produced by the popular byte pair encoding technique. This makes it possible to apply many existing techniques and algorithms to the tokenized case, such as pattern matching, equivalence checking of tokenization dictionaries, and composing tokenized languages in various ways.
Authors: Ali Ismail-Fawaz, Maxime Devanne, Stefano Berretti, Jonathan Weber, Germain Forestier
Abstract: The development of generative artificial intelligence for human motion generation has expanded rapidly, necessitating a unified evaluation framework. This paper presents a detailed review of eight evaluation metrics for human motion generation, highlighting their unique features and shortcomings. We propose standardized practices through a unified evaluation setup to facilitate consistent model comparisons. Additionally, we introduce a novel metric that assesses diversity in temporal distortion by analyzing warping diversity, thereby enhancing the evaluation of temporal data. We also conduct experimental analyses of three generative models using a publicly available dataset, offering insights into the interpretation of each metric in specific case scenarios. Our goal is to offer a clear, user-friendly evaluation framework for newcomers, complemented by publicly accessible code.
Authors: Liangrui Pan, Yijun Peng, Yan Li, Yiyi Liang, Liwen Xu, Qingchun Liang, Shaoliang Peng
Abstract: Integrating the different data modalities of cancer patients can significantly improve the predictive performance of patient survival. However, most existing methods ignore the simultaneous utilization of rich semantic features at different scales in pathology images. When collecting multimodal data and extracting features, there is a likelihood of encountering intra-modality missing data, introducing noise into the multimodal data. To address these challenges, this paper proposes a new end-to-end framework, FORESEE, for robustly predicting patient survival by mining multimodal information. Specifically, the cross-fusion transformer effectively utilizes features at the cellular level, tissue level, and tumor heterogeneity level to correlate prognosis through a cross-scale feature cross-fusion method. This enhances the ability of pathological image feature representation. Secondly, the hybrid attention encoder (HAE) uses the denoising contextual attention module to obtain the contextual relationship features and local detail features of the molecular data. HAE's channel attention module obtains global features of molecular data. Furthermore, to address the issue of missing information within modalities, we propose an asymmetrically masked triplet masked autoencoder to reconstruct lost information within modalities. Extensive experiments demonstrate the superiority of our method over state-of-the-art methods on four benchmark datasets in both complete and missing settings.
Authors: Amandeep Singh Bhatia, David E. Bernal Neira
Abstract: Healthcare industries frequently handle sensitive and proprietary data, and due to strict privacy regulations, they are often reluctant to share data directly. In today's context, Federated Learning (FL) stands out as a crucial remedy, facilitating the rapid advancement of distributed machine learning while effectively managing critical concerns regarding data privacy and governance. The fusion of federated learning and quantum computing represents a groundbreaking interdisciplinary approach with immense potential to revolutionize various industries, from healthcare to finance. In this work, we proposed a federated learning framework based on quantum tensor networks, which leverages the principles of many-body quantum physics. Currently, there are no known classical tensor networks implemented in federated settings. Furthermore, we investigated the effectiveness and feasibility of the proposed framework by conducting a differential privacy analysis to ensure the security of sensitive data across healthcare institutions. Experiments on popular medical image datasets show that the federated quantum tensor network model achieved a mean receiver-operator characteristic area under the curve (ROC-AUC) between 0.91-0.98. Experimental results demonstrate that the quantum federated global model, consisting of highly entangled tensor network structures, showed better generalization and robustness and achieved higher testing accuracy, surpassing the performance of locally trained clients under unbalanced data distributions among healthcare institutions.
Authors: Maja Franz, Tobias Winker, Sven Groppe, Wolfgang Mauerer
Abstract: Identifying optimal join orders (JOs) stands out as a key challenge in database research and engineering. Owing to the large search space, established classical methods rely on approximations and heuristics. Recent efforts have successfully explored reinforcement learning (RL) for JO. Likewise, quantum versions of RL have received considerable scientific attention. Yet, it is an open question if they can achieve sustainable, overall practical advantages with improved quantum processors. In this paper, we present a novel approach that uses quantum reinforcement learning (QRL) for JO based on a hybrid variational quantum ansatz. It is able to handle general bushy join trees instead of resorting to simpler left-deep variants as compared to approaches based on quantum(-inspired) optimisation, yet requires multiple orders of magnitudes fewer qubits, which is a scarce resource even for post-NISQ systems. Despite moderate circuit depth, the ansatz exceeds current NISQ capabilities, which requires an evaluation by numerical simulations. While QRL may not significantly outperform classical approaches in solving the JO problem with respect to result quality (albeit we see parity), we find a drastic reduction in required trainable parameters. This benefits practically relevant aspects ranging from shorter training times compared to classical RL, less involved classical optimisation passes, or better use of available training data, and fits data-stream and low-latency processing scenarios. Our comprehensive evaluation and careful discussion delivers a balanced perspective on possible practical quantum advantage, provides insights for future systemic approaches, and allows for quantitatively assessing trade-offs of quantum approaches for one of the most crucial problems of database management systems.
Authors: Georg Kruse, Rodrigo Coehlo, Andreas Rosskopf, Robert Wille, Jeanette Miriam Lorenz
Abstract: Advancements in Quantum Computing (QC) and Neural Combinatorial Optimization (NCO) represent promising steps in tackling complex computational challenges. On the one hand, Variational Quantum Algorithms such as QAOA can be used to solve a wide range of combinatorial optimization problems. On the other hand, the same class of problems can be solved by NCO, a method that has shown promising results, particularly since the introduction of Graph Neural Networks. Given recent advances in both research areas, we introduce Hamiltonian-based Quantum Reinforcement Learning (QRL), an approach at the intersection of QC and NCO. We model our ansatzes directly on the combinatorial optimization problem's Hamiltonian formulation, which allows us to apply our approach to a broad class of problems. Our ansatzes show favourable trainability properties when compared to the hardware efficient ansatzes, while also not being limited to graph-based problems, unlike previous works. In this work, we evaluate the performance of Hamiltonian-based QRL on a diverse set of combinatorial optimization problems to demonstrate the broad applicability of our approach and compare it to QAOA.
Authors: Hanyan Yin, Dongxie Wen, Jiajun Li, Zhewei Wei, Xiao Zhang, Zengfeng Huang, Feifei Li
Abstract: Matrix sketching, aimed at approximating a matrix $\boldsymbol{A} \in \mathbb{R}^{N\times d}$ consisting of vector streams of length $N$ with a smaller sketching matrix $\boldsymbol{B} \in \mathbb{R}^{\ell\times d}, \ell \ll N$, has garnered increasing attention in fields such as large-scale data analytics and machine learning. A well-known deterministic matrix sketching method is the Frequent Directions algorithm, which achieves the optimal $O\left(\frac{d}{\varepsilon}\right)$ space bound and provides a covariance error guarantee of $\varepsilon = \lVert \boldsymbol{A}^\top \boldsymbol{A} - \boldsymbol{B}^\top \boldsymbol{B} \rVert_2/\lVert \boldsymbol{A} \rVert_F^2$. The matrix sketching problem becomes particularly interesting in the context of sliding windows, where the goal is to approximate the matrix $\boldsymbol{A}_W$, formed by input vectors over the most recent $N$ time units. However, despite recent efforts, whether achieving the optimal $O\left(\frac{d}{\varepsilon}\right)$ space bound on sliding windows is possible has remained an open question. In this paper, we introduce the DS-FD algorithm, which achieves the optimal $O\left(\frac{d}{\varepsilon}\right)$ space bound for matrix sketching over row-normalized, sequence-based sliding windows. We also present matching upper and lower space bounds for time-based and unnormalized sliding windows, demonstrating the generality and optimality of \dsfd across various sliding window models. This conclusively answers the open question regarding the optimal space bound for matrix sketching over sliding windows. Furthermore, we conduct extensive experiments with both synthetic and real-world datasets, validating our theoretical claims and thus confirming the correctness and effectiveness of our algorithm, both theoretically and empirically.
Authors: Zirui Yan, Arpan Mukherjee, Burak Var{\i}c{\i}, Ali Tajer
Abstract: This paper investigates the robustness of causal bandits (CBs) in the face of temporal model fluctuations. This setting deviates from the existing literature's widely-adopted assumption of constant causal models. The focus is on causal systems with linear structural equation models (SEMs). The SEMs and the time-varying pre- and post-interventional statistical models are all unknown and subject to variations over time. The goal is to design a sequence of interventions that incur the smallest cumulative regret compared to an oracle aware of the entire causal model and its fluctuations. A robust CB algorithm is proposed, and its cumulative regret is analyzed by establishing both upper and lower bounds on the regret. It is shown that in a graph with maximum in-degree $d$, length of the largest causal path $L$, and an aggregate model deviation $C$, the regret is upper bounded by $\tilde{\mathcal{O}}(d^{L-\frac{1}{2}}(\sqrt{T} + C))$ and lower bounded by $\Omega(d^{\frac{L}{2}-2}\max\{\sqrt{T}\; ,\; d^2C\})$. The proposed algorithm achieves nearly optimal $\tilde{\mathcal{O}}(\sqrt{T})$ regret when $C$ is $o(\sqrt{T})$, maintaining sub-linear regret for a broad range of $C$.
Authors: Fedor Scholz, Erik Ayari, Johannes Bertram, Martin V. Butz
Abstract: Infants learn actively in their environments, shaping their own learning curricula. They learn about their environments' affordances, that is, how local circumstances determine how their behavior can affect the environment. Here we model this type of behavior by means of a deep learning architecture. The architecture mediates between global cognitive map exploration and local affordance learning. Inference processes actively move the simulated agent towards regions where they expect affordance-related knowledge gain. We contrast three measures of uncertainty to guide this exploration: predicted uncertainty of a model, standard deviation between the means of several models (SD), and the Jensen-Shannon Divergence (JSD) between several models. We show that the first measure gets fooled by aleatoric uncertainty inherent in the environment, while the two other measures focus learning on epistemic uncertainty. JSD exhibits the most balanced exploration strategy. From a computational perspective, our model suggests three key ingredients for coordinating the active generation of learning curricula: (1) Navigation behavior needs to be coordinated with local motor behavior for enabling active affordance learning. (2) Affordances need to be encoded locally for acquiring generalized knowledge. (3) Effective active affordance learning mechanisms should use density comparison techniques for estimating expected knowledge gain. Future work may seek collaborations with developmental psychology to model active play in children in more realistic scenarios.
Authors: Ida Egendal, Rasmus Froberg Br{\o}ndum, Marta Pelizzola, Asger Hobolth, Martin B{\o}gsted
Abstract: The aim of this study is to provide a foundation to understand the relationship between non-negative matrix factorization (NMF) and non-negative autoencoders enabling proper interpretation and understanding of autoencoder-based alternatives to NMF. Since its introduction, NMF has been a popular tool for extracting interpretable, low-dimensional representations of high-dimensional data. However, recently, several studies have proposed to replace NMF with autoencoders. This increasing popularity of autoencoders warrants an investigation on whether this replacement is in general valid and reasonable. Moreover, the exact relationship between non-negative autoencoders and NMF has not been thoroughly explored. Thus, a main aim of this study is to investigate in detail the relationship between non-negative autoencoders and NMF. We find that the connection between the two models can be established through convex NMF, which is a restricted case of NMF. In particular, convex NMF is a special case of an autoencoder. The performance of NMF and autoencoders is compared within the context of extraction of mutational signatures from cancer genomics data. We find that the reconstructions based on NMF are more accurate compared to autoencoders, while the signatures extracted using both methods show comparable consistencies and values when externally validated. These findings suggest that the non-negative autoencoders investigated in this article do not provide an improvement of NMF in the field of mutational signature extraction.
Authors: Cyril Zakka, Joseph Cho, Gracia Fahed, Rohan Shad, Michael Moor, Robyn Fong, Dhamanpreet Kaur, Vishnu Ravi, Oliver Aalami, Roxana Daneshjou, Akshay Chaudhari, William Hiesinger
Abstract: Clinicians spend large amounts of time on clinical documentation, and inefficiencies impact quality of care and increase clinician burnout. Despite the promise of electronic medical records (EMR), the transition from paper-based records has been negatively associated with clinician wellness, in part due to poor user experience, increased burden of documentation, and alert fatigue. In this study, we present Almanac Copilot, an autonomous agent capable of assisting clinicians with EMR-specific tasks such as information retrieval and order placement. On EHR-QA, a synthetic evaluation dataset of 300 common EHR queries based on real patient data, Almanac Copilot obtains a successful task completion rate of 74% (n = 221 tasks) with a mean score of 2.45 over 3 (95% CI:2.34-2.56). By automating routine tasks and streamlining the documentation process, our findings highlight the significant potential of autonomous agents to mitigate the cognitive load imposed on clinicians by current EMR systems.
Authors: Ziyang Zhang, Plamen Angelov, Dmitry Kangin, Nicolas Long\'ep\'e
Abstract: In this paper, we address two critical challenges in the domain of flood detection: the computational expense of large-scale time series change detection and the lack of interpretable decision-making processes on explainable AI (XAI). To overcome these challenges, we proposed an interpretable multi-stage approach to flood detection, IMAFD has been proposed. It provides an automatic, efficient and interpretable solution suitable for large-scale remote sensing tasks and offers insight into the decision-making process. The proposed IMAFD approach combines the analysis of the dynamic time series image sequences to identify images with possible flooding with the static, within-image semantic segmentation. It combines anomaly detection (at both image and pixel level) with semantic segmentation. The flood detection problem is addressed through four stages: (1) at a sequence level: identifying the suspected images (2) at a multi-image level: detecting change within suspected images (3) at an image level: semantic segmentation of images into Land, Water or Cloud class (4) decision making. Our contributions are two folder. First, we efficiently reduced the number of frames to be processed for dense change detection by providing a multi-stage holistic approach to flood detection. Second, the proposed semantic change detection method (stage 3) provides human users with an interpretable decision-making process, while most of the explainable AI (XAI) methods provide post hoc explanations. The evaluation of the proposed IMAFD framework was performed on three datasets, WorldFloods, RavAEn and MediaEval. For all the above datasets, the proposed framework demonstrates a competitive performance compared to other methods offering also interpretability and insight.
Authors: Konstantinos Kontras, Christos Chatzichristos, Matthew Blaschko, Maarten De Vos
Abstract: Learning from multiple modalities, such as audio and video, offers opportunities for leveraging complementary information, enhancing robustness, and improving contextual understanding and performance. However, combining such modalities presents challenges, especially when modalities differ in data structure, predictive contribution, and the complexity of their learning processes. It has been observed that one modality can potentially dominate the learning process, hindering the effective utilization of information from other modalities and leading to sub-optimal model performance. To address this issue the vast majority of previous works suggest to assess the unimodal contributions and dynamically adjust the training to equalize them. We improve upon previous work by introducing a multi-loss objective and further refining the balancing process, allowing it to dynamically adjust the learning pace of each modality in both directions, acceleration and deceleration, with the ability to phase out balancing effects upon convergence. We achieve superior results across three audio-video datasets: on CREMA-D, models with ResNet backbone encoders surpass the previous best by 1.9% to 12.4%, and Conformer backbone models deliver improvements ranging from 2.8% to 14.1% across different fusion methods. On AVE, improvements range from 2.7% to 7.7%, while on UCF101, gains reach up to 6.1%.
Authors: Jake Roth, Ying Cui
Abstract: Superquantiles have recently gained significant interest as a risk-aware metric for addressing fairness and distribution shifts in statistical learning and decision making problems. This paper introduces a fast, scalable and robust second-order computational framework to solve large-scale optimization problems with superquantile-based constraints. Unlike empirical risk minimization, superquantile-based optimization requires ranking random functions evaluated across all scenarios to compute the tail conditional expectation. While this tail-based feature might seem computationally unfriendly, it provides an advantageous setting for a semismooth-Newton-based augmented Lagrangian method. The superquantile operator effectively reduces the dimensions of the Newton systems since the tail expectation involves considerably fewer scenarios. Notably, the extra cost of obtaining relevant second-order information and performing matrix inversions is often comparable to, and sometimes even less than, the effort required for gradient computation. Our developed solver is particularly effective when the number of scenarios substantially exceeds the number of decision variables. In synthetic problems with linear and convex diagonal quadratic objectives, numerical experiments demonstrate that our method outperforms existing approaches by a large margin: It achieves speeds more than 750 times faster for linear and quadratic objectives than the alternating direction method of multipliers as implemented by OSQP for computing low-accuracy solutions. Additionally, it is up to 25 times faster for linear objectives and 70 times faster for quadratic objectives than the commercial solver Gurobi, and 20 times faster for linear objectives and 30 times faster for quadratic objectives than the Portfolio Safeguard optimization suite for high-accuracy solution computations.
Authors: Reda Chhaibi, Fabrice Gamboa, Christophe Oger, Vinicius Oliveira, Cl\'ement Pellegrini, Damien Remot
Abstract: We propose an active sampling flow, with the use-case of simulating the impact of combined variations on analog circuits. In such a context, given the large number of parameters, it is difficult to fit a surrogate model and to efficiently explore the space of design features. By combining a drastic dimension reduction using sensitivity analysis and Bayesian surrogate modeling, we obtain a flexible active sampling flow. On synthetic and real datasets, this flow outperforms the usual Monte-Carlo sampling which often forms the foundation of design space exploration.
Authors: Matteo Zecchin, Osvaldo Simeone
Abstract: Adaptive Risk Control (ARC) is an online calibration strategy based on set prediction that offers worst-case deterministic long-term risk control, as well as statistical marginal coverage guarantees. ARC adjusts the size of the prediction set by varying a single scalar threshold based on feedback from past decisions. In this work, we introduce Localized Adaptive Risk Control (L-ARC), an online calibration scheme that targets statistical localized risk guarantees ranging from conditional risk to marginal risk, while preserving the worst-case performance of ARC. L-ARC updates a threshold function within a reproducing kernel Hilbert space (RKHS), with the kernel determining the level of localization of the statistical risk guarantee. The theoretical results highlight a trade-off between localization of the statistical risk and convergence speed to the long-term risk target. Thanks to localization, L-ARC is demonstrated via experiments to produce prediction sets with risk guarantees across different data subpopulations, significantly improving the fairness of the calibrated model for tasks such as image segmentation and beam selection in wireless networks.
Authors: Anton Orlichenko, Gang Qu, Ziyu Zhou, Anqi Liu, Hong-Wen Deng, Zhengming Ding, Julia M. Stephen, Tony W. Wilson, Vince D. Calhoun, Yu-Ping Wang
Abstract: Objective: fMRI and derived measures such as functional connectivity (FC) have been used to predict brain age, general fluid intelligence, psychiatric disease status, and preclinical neurodegenerative disease. However, it is not always clear that all demographic confounds, such as age, sex, and race, have been removed from fMRI data. Additionally, many fMRI datasets are restricted to authorized researchers, making dissemination of these valuable data sources challenging. Methods: We create a variational autoencoder (VAE)-based model, DemoVAE, to decorrelate fMRI features from demographics and generate high-quality synthetic fMRI data based on user-supplied demographics. We train and validate our model using two large, widely used datasets, the Philadelphia Neurodevelopmental Cohort (PNC) and Bipolar and Schizophrenia Network for Intermediate Phenotypes (BSNIP). Results: We find that DemoVAE recapitulates group differences in fMRI data while capturing the full breadth of individual variations. Significantly, we also find that most clinical and computerized battery fields that are correlated with fMRI data are not correlated with DemoVAE latents. An exception are several fields related to schizophrenia medication and symptom severity. Conclusion: Our model generates fMRI data that captures the full distribution of FC better than traditional VAE or GAN models. We also find that most prediction using fMRI data is dependent on correlation with, and prediction of, demographics. Significance: Our DemoVAE model allows for generation of high quality synthetic data conditioned on subject demographics as well as the removal of the confounding effects of demographics. We identify that FC-based prediction tasks are highly influenced by demographic confounds.
Authors: Shagun Uppal, Ananye Agarwal, Haoyu Xiong, Kenneth Shaw, Deepak Pathak
Abstract: While there has been remarkable progress recently in the fields of manipulation and locomotion, mobile manipulation remains a long-standing challenge. Compared to locomotion or static manipulation, a mobile system must make a diverse range of long-horizon tasks feasible in unstructured and dynamic environments. While the applications are broad and interesting, there are a plethora of challenges in developing these systems such as coordination between the base and arm, reliance on onboard perception for perceiving and interacting with the environment, and most importantly, simultaneously integrating all these parts together. Prior works approach the problem using disentangled modular skills for mobility and manipulation that are trivially tied together. This causes several limitations such as compounding errors, delays in decision-making, and no whole-body coordination. In this work, we present a reactive mobile manipulation framework that uses an active visual system to consciously perceive and react to its environment. Similar to how humans leverage whole-body and hand-eye coordination, we develop a mobile manipulator that exploits its ability to move and see, more specifically -- to move in order to see and to see in order to move. This allows it to not only move around and interact with its environment but also, choose "when" to perceive "what" using an active visual system. We observe that such an agent learns to navigate around complex cluttered scenarios while displaying agile whole-body coordination using only ego-vision without needing to create environment maps. Results visualizations and videos at https://spin-robot.github.io/
Authors: Weihao Yu, Xinchao Wang
Abstract: Mamba, an architecture with RNN-like token mixer of state space model (SSM), was recently introduced to address the quadratic complexity of the attention mechanism and subsequently applied to vision tasks. Nevertheless, the performance of Mamba for vision is often underwhelming when compared with convolutional and attention-based models. In this paper, we delve into the essence of Mamba, and conceptually conclude that Mamba is ideally suited for tasks with long-sequence and autoregressive characteristics. For vision tasks, as image classification does not align with either characteristic, we hypothesize that Mamba is not necessary for this task; Detection and segmentation tasks are also not autoregressive, yet they adhere to the long-sequence characteristic, so we believe it is still worthwhile to explore Mamba's potential for these tasks. To empirically verify our hypotheses, we construct a series of models named \emph{MambaOut} through stacking Mamba blocks while removing their core token mixer, SSM. Experimental results strongly support our hypotheses. Specifically, our MambaOut model surpasses all visual Mamba models on ImageNet image classification, indicating that Mamba is indeed unnecessary for this task. As for detection and segmentation, MambaOut cannot match the performance of state-of-the-art visual Mamba models, demonstrating the potential of Mamba for long-sequence visual tasks. The code is available at https://github.com/yuweihao/MambaOut
Authors: L. Thorne McCarty
Abstract: This paper presents an extension and an elaboration of the theory of differential similarity, which was originally proposed in arXiv:1401.2411 [cs.LG]. The goal is to develop an algorithm for clustering and coding that combines a geometric model with a probabilistic model in a principled way. For simplicity, the geometric model in the earlier paper was restricted to the three-dimensional case. The present paper removes this restriction, and considers the full $n$-dimensional case. Although the mathematical model is the same, the strategies for computing solutions in the $n$-dimensional case are different, and one of the main purposes of this paper is to develop and analyze these strategies. Another main purpose is to devise techniques for estimating the parameters of the model from sample data, again in $n$ dimensions. We evaluate the solution strategies and the estimation techniques by applying them to two familiar real-world examples: the classical MNIST dataset and the CIFAR-10 dataset.
Authors: Krzysztof Maziarz, Henry Jackson-Flux, Pashmina Cameron, Finton Sirockin, Nadine Schneider, Nikolaus Stiefl, Marwin Segler, Marc Brockschmidt
Abstract: Recent advancements in deep learning-based modeling of molecules promise to accelerate in silico drug discovery. A plethora of generative models is available, building molecules either atom-by-atom and bond-by-bond or fragment-by-fragment. However, many drug discovery projects require a fixed scaffold to be present in the generated molecule, and incorporating that constraint has only recently been explored. Here, we propose MoLeR, a graph-based model that naturally supports scaffolds as initial seed of the generative procedure, which is possible because it is not conditioned on the generation history. Our experiments show that MoLeR performs comparably to state-of-the-art methods on unconstrained molecular optimization tasks, and outperforms them on scaffold-based tasks, while being an order of magnitude faster to train and sample from than existing approaches. Furthermore, we show the influence of a number of seemingly minor design choices on the overall performance.
Authors: Tabea E. R\"ober, Adia C. Lumadjeng, M. Hakan Aky\"uz, \c{S}. \.Ilker Birbil
Abstract: We introduce a new rule-based optimization method for classification with constraints. The proposed method leverages column generation for linear programming, and hence, is scalable to large datasets. The resulting pricing subproblem is shown to be NP-Hard. We recourse to a decision tree-based heuristic and solve a proxy pricing subproblem for acceleration. The method returns a set of rules along with their optimal weights indicating the importance of each rule for learning. We address interpretability and fairness by assigning cost coefficients to the rules and introducing additional constraints. In particular, we focus on local interpretability and generalize separation criterion in fairness to multiple sensitive attributes and classes. We test the performance of the proposed methodology on a collection of datasets and present a case study to elaborate on its different aspects. The proposed rule-based learning method exhibits a good compromise between local interpretability and fairness on the one side, and accuracy on the other side.
Authors: Keqin Liu, Richard Weber, Chengzhong Zhang
Abstract: We consider a class of restless bandit problems that finds a broad application area in reinforcement learning and stochastic optimization. We consider $N$ independent discrete-time Markov processes, each of which had two possible states: 1 and 0 (`good' and `bad'). Only if a process is both in state 1 and observed to be so does reward accrue. The aim is to maximize the expected discounted sum of returns over the infinite horizon subject to a constraint that only $M$ $(
Authors: Philipp Geyer, Manav Mahan Singh, Xia Chen
Abstract: Data-driven models created by machine learning, gain in importance in all fields of design and engineering. They, have high potential to assist decision-makers in creating novel, artefacts with better performance and sustainability. However,, limited generalization and the black-box nature of these models, lead to limited explainability and reusability. To overcome this, situation, we propose a component-based approach to create, partial component models by machine learning (ML). This, component-based approach aligns deep learning with systems, engineering (SE). The key contribution of the component-based, method is that activations at interfaces between the components, are interpretable engineering quantities. In this way, the, hierarchical component system forms a deep neural network, (DNN) that a priori integrates information for engineering, explainability. The, approach adapts the model structure to engineering methods of, systems engineering and to domain knowledge. We examine the, performance of the approach by the field of energy-efficient, building design: First, we observed better generalization of the, component-based method by analyzing prediction accuracy, outside the training data. Especially for representative designs, different in structure, we observe a much higher accuracy, (R2 = 0.94) compared to conventional monolithic methods, (R2 = 0.71). Second, we illustrate explainability by exemplary, demonstrating how sensitivity information from SE and rules, from low-depth decision trees serve engineering. Third, we, evaluate explainability by qualitative and quantitative methods, demonstrating the matching of preliminary knowledge and data-driven, derived strategies and show correctness of activations at, component interfaces compared to white-box simulation results, (envelope components: R2 = 0.92..0.99; zones: R2 = 0.78..0.93).
Authors: Wei Ye, Hao Tian, Qijun Chen
Abstract: Graph kernels are conventional methods for computing graph similarities. However, the existing R-convolution graph kernels cannot resolve both of the two challenges: 1) Comparing graphs at multiple different scales, and 2) Considering the distributions of substructures when computing the kernel matrix. These two challenges limit their performances. To mitigate both of the two challenges, we propose a novel graph kernel called the Multi-scale Wasserstein Shortest-Path graph kernel (MWSP), at the heart of which is the multi-scale shortest-path node feature map, of which each element denotes the number of occurrences of the shortest path around a node. The shortest path is represented by the concatenation of all the labels of nodes in it. Since the shortest-path node feature map can only compare graphs at local scales, we incorporate into it the multiple different scales of the graph structure, which are captured by the truncated BFS trees of different depths rooted at each node in a graph. We use the Wasserstein distance to compute the similarity between the multi-scale shortest-path node feature maps of two graphs, considering the distributions of shortest paths. We empirically validate MWSP on various benchmark graph datasets and demonstrate that it achieves state-of-the-art performance on most datasets.
Authors: Adhyyan Narang, Omid Sadeghi, Lillian J Ratliff, Maryam Fazel, Jeff Bilmes
Abstract: In the context of online interactive machine learning with combinatorial objectives, we extend purely submodular prior work to more general non-submodular objectives. This includes: (1) those that are additively decomposable into a sum of two terms (a monotone submodular and monotone supermodular term, known as a BP decomposition); and (2) those that are only weakly submodular. In both cases, this allows representing not only competitive (submodular) but also complementary (supermodular) relationships between objects, enhancing this setting to a broader range of applications (e.g., movie recommendations, medical treatments, etc.) where this is beneficial. In the two-term case, moreover, we study not only the more typical monolithic feedback approach but also a novel framework where feedback is available separately for each term. With real-world practicality and scalability in mind, we integrate Nystrom sketching techniques to significantly reduce the computational cost, including for the purely submodular case. In the Gaussian process contextual bandits setting, we show sub-linear theoretical regret bounds in all cases. We also empirically show good applicability to recommendation systems and data subset selection.
Authors: Zheqi Zhu, Yuchen Shi, Pingyi Fan, Chenghui Peng, Khaled B. Letaief
Abstract: As a promising learning paradigm integrating computation and communication, federated learning (FL) proceeds the local training and the periodic sharing from distributed clients. Due to the non-i.i.d. data distribution on clients, FL model suffers from the gradient diversity, poor performance, bad convergence, etc. In this work, we aim to tackle this key issue by adopting importance sampling (IS) for local training. We propose importance sampling federated learning (ISFL), an explicit framework with theoretical guarantees. Firstly, we derive the convergence theorem of ISFL to involve the effects of local importance sampling. Then, we formulate the problem of selecting optimal IS weights and obtain the theoretical solutions. We also employ a water-filling method to calculate the IS weights and develop the ISFL algorithms. The experimental results on CIFAR-10 fit the proposed theorems well and verify that ISFL reaps better performance, sampling efficiency, as well as explainability on non-i.i.d. data. To the best of our knowledge, ISFL is the first non-i.i.d. FL solution from the local sampling aspect which exhibits theoretical compatibility with neural network models. Furthermore, as a local sampling approach, ISFL can be easily migrated into other emerging FL frameworks.
Authors: Shauli Ravfogel, Yoav Goldberg, Ryan Cotterell
Abstract: Methods for erasing human-interpretable concepts from neural representations that assume linearity have been found to be tractable and useful. However, the impact of this removal on the behavior of downstream classifiers trained on the modified representations is not fully understood. In this work, we formally define the notion of log-linear guardedness as the inability of an adversary to predict the concept directly from the representation, and study its implications. We show that, in the binary case, under certain assumptions, a downstream log-linear model cannot recover the erased concept. However, we demonstrate that a multiclass log-linear model \emph{can} be constructed that indirectly recovers the concept in some cases, pointing to the inherent limitations of log-linear guardedness as a downstream bias mitigation technique. These findings shed light on the theoretical limitations of linear erasure methods and highlight the need for further research on the connections between intrinsic and extrinsic bias in neural models.
Authors: Sebastian Mair, Jens Sj\"olund
Abstract: Archetypal analysis is a matrix factorization method with convexity constraints. Due to local minima, a good initialization is essential, but frequently used initialization methods yield either sub-optimal starting points or are prone to get stuck in poor local minima. In this paper, we propose archetypal analysis++ (AA++), a probabilistic initialization strategy for archetypal analysis that sequentially samples points based on their influence on the objective function, similar to $k$-means++. In fact, we argue that $k$-means++ already approximates the proposed initialization method. Furthermore, we suggest to adapt an efficient Monte Carlo approximation of $k$-means++ to AA++. In an extensive empirical evaluation of 15 real-world data sets of varying sizes and dimensionalities and considering two pre-processing strategies, we show that AA++ almost always outperforms all baselines, including the most frequently used ones.
Authors: Yuheng Jia, Jiawei Tang, Jiahao Jiang
Abstract: Label distribution learning (LDL) is an effective method to predict the label description degree (a.k.a. label distribution) of a sample. However, annotating label distribution (LD) for training samples is extremely costly. So recent studies often first use label enhancement (LE) to generate the estimated label distribution from the logical label and then apply external LDL algorithms on the recovered label distribution to predict the label distribution for unseen samples. But this step-wise manner overlooks the possible connections between LE and LDL. Moreover, the existing LE approaches may assign some description degrees to invalid labels. To solve the above problems, we propose a novel method to learn an LDL model directly from the logical label, which unifies LE and LDL into a joint model, and avoids the drawbacks of the previous LE methods. Extensive experiments on various datasets prove that the proposed approach can construct a reliable LDL model directly from the logical label, and produce more accurate label distribution than the state-of-the-art LE methods.
Authors: Abhishek Sinha
Abstract: Classic no-regret multi-armed bandit algorithms, including the Upper Confidence Bound (UCB), Hedge, and EXP3, are inherently unfair by design. Their unfairness stems from their objective of playing the most rewarding arm as frequently as possible while ignoring the rest. In this paper, we consider a fair prediction problem in the stochastic setting with a guaranteed minimum rate of accrual of rewards for each arm. We study the problem in both full-information and bandit feedback settings. Combining queueing-theoretic techniques with adversarial bandits, we propose a new online policy, called BanditQ, that achieves the target reward rates while conceding a regret and target rate violation penalty of at most $O(T^{\frac{3}{4}}).$ The regret bound in the full-information setting can be further improved to $O(\sqrt{T})$ under either a monotonicity assumption or when considering time-averaged regret. The proposed policy is efficient and admits a black-box reduction from the fair prediction problem to the standard adversarial MAB problem. The analysis of the BanditQ policy involves a new self-bounding inequality, which might be of independent interest.
Authors: Tianying Ji, Yu Luo, Fuchun Sun, Xianyuan Zhan, Jianwei Zhang, Huazhe Xu
Abstract: Learning high-quality $Q$-value functions plays a key role in the success of many modern off-policy deep reinforcement learning (RL) algorithms. Previous works primarily focus on addressing the value overestimation issue, an outcome of adopting function approximators and off-policy learning. Deviating from the common viewpoint, we observe that $Q$-values are often underestimated in the latter stage of the RL training process, potentially hindering policy learning and reducing sample efficiency. We find that such a long-neglected phenomenon is often related to the use of inferior actions from the current policy in Bellman updates as compared to the more optimal action samples in the replay buffer. To address this issue, our insight is to incorporate sufficient exploitation of past successes while maintaining exploration optimism. We propose the Blended Exploitation and Exploration (BEE) operator, a simple yet effective approach that updates $Q$-value using both historical best-performing actions and the current policy. Based on BEE, the resulting practical algorithm BAC outperforms state-of-the-art methods in over 50 continuous control tasks and achieves strong performance in failure-prone scenarios and real-world robot tasks. Benchmark results and videos are available at https://jity16.github.io/BEE/.
Authors: Mohammed Muqeeth, Haokun Liu, Colin Raffel
Abstract: Sparsely activated neural networks with conditional computation learn to route their inputs through different "expert" subnetworks, providing a form of modularity that densely activated models lack. Despite their possible benefits, models with learned routing often underperform their parameter-matched densely activated counterparts as well as models that use non-learned heuristic routing strategies. In this paper, we hypothesize that these shortcomings stem from the gradient estimation techniques used to train sparsely activated models that use non-differentiable discrete routing decisions. To address this issue, we introduce Soft Merging of Experts with Adaptive Routing (SMEAR), which avoids discrete routing by using a single "merged" expert constructed via a weighted average of all of the experts' parameters. By routing activations through a single merged expert, SMEAR does not incur a significant increase in computational costs and enables standard gradient-based training. We empirically validate that models using SMEAR outperform models that route based on metadata or learn sparse routing through gradient estimation. Furthermore, we provide qualitative analysis demonstrating that the experts learned via SMEAR exhibit a significant amount of specialization. All of the code used in our experiments is publicly available.
Authors: Jonathan Scott, Hossein Zakerinia, Christoph H. Lampert
Abstract: We present PeFLL, a new personalized federated learning algorithm that improves over the state-of-the-art in three aspects: 1) it produces more accurate models, especially in the low-data regime, and not only for clients present during its training phase, but also for any that may emerge in the future; 2) it reduces the amount of on-client computation and client-server communication by providing future clients with ready-to-use personalized models that require no additional finetuning or optimization; 3) it comes with theoretical guarantees that establish generalization from the observed clients to future ones. At the core of PeFLL lies a learning-to-learn approach that jointly trains an embedding network and a hypernetwork. The embedding network is used to represent clients in a latent descriptor space in a way that reflects their similarity to each other. The hypernetwork takes as input such descriptors and outputs the parameters of fully personalized client models. In combination, both networks constitute a learning algorithm that achieves state-of-the-art performance in several personalized federated learning benchmarks.
Authors: Arnab Kumar Mondal, Siba Smarak Panigrahi, Sai Rajeswar, Kaleem Siddiqi, Siamak Ravanbakhsh
Abstract: The accurate modeling of dynamics in interactive environments is critical for successful long-range prediction. Such a capability could advance Reinforcement Learning (RL) and Planning algorithms, but achieving it is challenging. Inaccuracies in model estimates can compound, resulting in increased errors over long horizons. We approach this problem from the lens of Koopman theory, where the nonlinear dynamics of the environment can be linearized in a high-dimensional latent space. This allows us to efficiently parallelize the sequential problem of long-range prediction using convolution while accounting for the agent's action at every time step. Our approach also enables stability analysis and better control over gradients through time. Taken together, these advantages result in significant improvement over the existing approaches, both in the efficiency and the accuracy of modeling dynamics over extended horizons. We also show that this model can be easily incorporated into dynamics modeling for model-based planning and model-free RL and report promising experimental results.
Authors: Yunchuan Zhang, Sangwoo Park, Osvaldo Simeone
Abstract: Black-box zero-th order optimization is a central primitive for applications in fields as diverse as finance, physics, and engineering. In a common formulation of this problem, a designer sequentially attempts candidate solutions, receiving noisy feedback on the value of each attempt from the system. In this paper, we study scenarios in which feedback is also provided on the safety of the attempted solution, and the optimizer is constrained to limit the number of unsafe solutions that are tried throughout the optimization process. Focusing on methods based on Bayesian optimization (BO), prior art has introduced an optimization scheme -- referred to as SAFEOPT -- that is guaranteed not to select any unsafe solution with a controllable probability over feedback noise as long as strict assumptions on the safety constraint function are met. In this paper, a novel BO-based approach is introduced that satisfies safety requirements irrespective of properties of the constraint function. This strong theoretical guarantee is obtained at the cost of allowing for an arbitrary, controllable but non-zero, rate of violation of the safety constraint. The proposed method, referred to as SAFE-BOCP, builds on online conformal prediction (CP) and is specialized to the cases in which feedback on the safety constraint is either noiseless or noisy. Experimental results on synthetic and real-world data validate the advantages and flexibility of the proposed SAFE-BOCP.
Authors: Danny D'Agostino, Ilija Ilievski, Christine Annette Shoemaker
Abstract: Providing a model that achieves a strong predictive performance and is simultaneously interpretable by humans is one of the most difficult challenges in machine learning research due to the conflicting nature of these two objectives. To address this challenge, we propose a modification of the radial basis function neural network model by equipping its Gaussian kernel with a learnable precision matrix. We show that precious information is contained in the spectrum of the precision matrix that can be extracted once the training of the model is completed. In particular, the eigenvectors explain the directions of maximum sensitivity of the model revealing the active subspace and suggesting potential applications for supervised dimensionality reduction. At the same time, the eigenvectors highlight the relationship in terms of absolute variation between the input and the latent variables, thereby allowing us to extract a ranking of the input variables based on their importance to the prediction task enhancing the model interpretability. We conducted numerical experiments for regression, classification, and feature selection tasks, comparing our model against popular machine learning models, the state-of-the-art deep learning-based embedding feature selection techniques, and a transformer model for tabular data. Our results demonstrate that the proposed model does not only yield an attractive prediction performance compared to the competitors but also provides meaningful and interpretable results that potentially could assist the decision-making process in real-world applications. A PyTorch implementation of the model is available on GitHub at the following link. https://github.com/dannyzx/Gaussian-RBFNN
Authors: Peyman Gholami, Hulya Seferoglu
Abstract: Two widely considered decentralized learning algorithms are Gossip and random walk-based learning. Gossip algorithms (both synchronous and asynchronous versions) suffer from high communication cost, while random-walk based learning experiences increased convergence time. In this paper, we design a fast and communication-efficient asynchronous decentralized learning mechanism DIGEST by taking advantage of both Gossip and random-walk ideas, and focusing on stochastic gradient descent (SGD). DIGEST is an asynchronous decentralized algorithm building on local-SGD algorithms, which are originally designed for communication efficient centralized learning. We design both single-stream and multi-stream DIGEST, where the communication overhead may increase when the number of streams increases, and there is a convergence and communication overhead trade-off which can be leveraged. We analyze the convergence of single- and multi-stream DIGEST, and prove that both algorithms approach to the optimal solution asymptotically for both iid and non-iid data distributions. We evaluate the performance of single- and multi-stream DIGEST for logistic regression and a deep neural network ResNet20. The simulation results confirm that multi-stream DIGEST has nice convergence properties; i.e., its convergence time is better than or comparable to the baselines in iid setting, and outperforms the baselines in non-iid setting.
Authors: M. Sajid, A. K. Malik, M. Tanveer
Abstract: In the realm of data classification, broad learning system (BLS) has proven to be a potent tool that utilizes a layer-by-layer feed-forward neural network. However, the traditional BLS treats all samples as equally significant, which makes it less robust and less effective for real-world datasets with noises and outliers. To address this issue, we propose fuzzy broad learning system (F-BLS) and the intuitionistic fuzzy broad learning system (IF-BLS) models that confront challenges posed by the noise and outliers present in the dataset and enhance overall robustness. Employing a fuzzy membership technique, the proposed F-BLS model embeds sample neighborhood information based on the proximity of each class center within the inherent feature space of the BLS framework. Furthermore, the proposed IF-BLS model introduces intuitionistic fuzzy concepts encompassing membership, non-membership, and score value functions. IF-BLS strategically considers homogeneity and heterogeneity in sample neighborhoods in the kernel space. We evaluate the performance of proposed F-BLS and IF-BLS models on UCI benchmark datasets with and without Gaussian noise. As an application, we implement the proposed F-BLS and IF-BLS models to diagnose Alzheimer's disease (AD). Experimental findings and statistical analyses consistently highlight the superior generalization capabilities of the proposed F-BLS and IF-BLS models over baseline models across all scenarios. The proposed models offer a promising solution to enhance the BLS framework's ability to handle noise and outliers. The source code link of the proposed model is available at https://github.com/mtanveer1/IF-BLS.
Authors: Md Abdullah Al Mamun, Quazi Mishkatul Alam, Erfan Shayegani, Pedram Zaree, Ihsen Alouani, Nael Abu-Ghazaleh
Abstract: Machine learning (ML) models are overparameterized to support generality and avoid overfitting. The state of these parameters is essentially a "don't-care" with respect to the primary model provided that this state does not interfere with the primary model. In both hardware and software systems, don't-care states and undefined behavior have been shown to be sources of significant vulnerabilities. In this paper, we propose a new information theoretic perspective of the problem; we consider the ML model as a storage channel with a capacity that increases with overparameterization. Specifically, we consider a sender that embeds arbitrary information in the model at training time, which can be extracted by a receiver with a black-box access to the deployed model. We derive an upper bound on the capacity of the channel based on the number of available unused parameters. We then explore black-box write and read primitives that allow the attacker to:(i) store data in an optimized way within the model by augmenting the training data at the transmitter side, and (ii) to read it by querying the model after it is deployed. We also consider a new version of the problem which takes information storage covertness into account. Specifically, to obtain storage covertness, we introduce a new constraint such that the data augmentation used for the write primitives minimizes the distribution shift with the initial (baseline task) distribution. This constraint introduces a level of "interference" with the initial task, thereby limiting the channel's effective capacity. Therefore, we develop optimizations to improve the capacity in this case, including a novel ML-specific substitution based error correction protocol. We believe that the proposed modeling of the problem offers new tools to better understand and mitigate potential vulnerabilities of ML, especially in the context of increasingly large models.
Authors: Joe Beck, Subhadeep Chakraborty
Abstract: Generative Adversarial Networks (GANs) should produce synthetic data that fits the underlying distribution of the data being modeled. For real valued time-series data, this implies the need to simultaneously capture the static distribution of the data, but also the full temporal distribution of the data for any potential time horizon. This temporal element produces a more complex problem that can potentially leave current solutions under-constrained, unstable during training, or prone to varying degrees of mode collapse. In FETSGAN, entire sequences are translated directly to the generator's sampling space using a seq2seq style adversarial auto encoder (AAE), where adversarial training is used to match the training distribution in both the feature space and the lower dimensional sampling space. This additional constraint provides a loose assurance that the temporal distribution of the synthetic samples will not collapse. In addition, the First Above Threshold (FAT) operator is introduced to supplement the reconstruction of encoded sequences, which improves training stability and the overall quality of the synthetic data being generated. These novel contributions demonstrate a significant improvement to the current state of the art for adversarial learners in qualitative measures of temporal similarity and quantitative predictive ability of data generated through FETSGAN.
Authors: Zhaoyu Li, Jinpei Guo, Xujie Si
Abstract: Graph neural networks (GNNs) have recently emerged as a promising approach for solving the Boolean Satisfiability Problem (SAT), offering potential alternatives to traditional backtracking or local search SAT solvers. However, despite the growing volume of literature in this field, there remains a notable absence of a unified dataset and a fair benchmark to evaluate and compare existing approaches. To address this crucial gap, we present G4SATBench, the first benchmark study that establishes a comprehensive evaluation framework for GNN-based SAT solvers. In G4SATBench, we meticulously curate a large and diverse set of SAT datasets comprising 7 problems with 3 difficulty levels and benchmark a broad range of GNN models across various prediction tasks, training objectives, and inference algorithms. To explore the learning abilities and comprehend the strengths and limitations of GNN-based SAT solvers, we also compare their solving processes with the heuristics in search-based SAT solvers. Our empirical results provide valuable insights into the performance of GNN-based SAT solvers and further suggest that existing GNN models can effectively learn a solving strategy akin to greedy local search but struggle to learn backtracking search in the latent space. Our codebase is available at https://github.com/zhaoyu-li/G4SATBench.
Authors: Ilan Naiman, N. Benjamin Erichson, Pu Ren, Michael W. Mahoney, Omri Azencot
Abstract: Generating realistic time series data is important for many engineering and scientific applications. Existing work tackles this problem using generative adversarial networks (GANs). However, GANs are unstable during training, and they can suffer from mode collapse. While variational autoencoders (VAEs) are known to be more robust to the these issues, they are (surprisingly) less considered for time series generation. In this work, we introduce Koopman VAE (KoVAE), a new generative framework that is based on a novel design for the model prior, and that can be optimized for either regular and irregular training data. Inspired by Koopman theory, we represent the latent conditional prior dynamics using a linear map. Our approach enhances generative modeling with two desired features: (i) incorporating domain knowledge can be achieved by leveraging spectral tools that prescribe constraints on the eigenvalues of the linear map; and (ii) studying the qualitative behavior and stability of the system can be performed using tools from dynamical systems theory. Our results show that KoVAE outperforms state-of-the-art GAN and VAE methods across several challenging synthetic and real-world time series generation benchmarks. Whether trained on regular or irregular data, KoVAE generates time series that improve both discriminative and predictive metrics. We also present visual evidence suggesting that KoVAE learns probability density functions that better approximate the empirical ground truth distribution.
Authors: Tianrong Chen, Jiatao Gu, Laurent Dinh, Evangelos A. Theodorou, Joshua Susskind, Shuangfei Zhai
Abstract: Diffusion models (DMs) represent state-of-the-art generative models for continuous inputs. DMs work by constructing a Stochastic Differential Equation (SDE) in the input space (ie, position space), and using a neural network to reverse it. In this work, we introduce a novel generative modeling framework grounded in \textbf{phase space dynamics}, where a phase space is defined as {an augmented space encompassing both position and velocity.} Leveraging insights from Stochastic Optimal Control, we construct a path measure in the phase space that enables efficient sampling. {In contrast to DMs, our framework demonstrates the capability to generate realistic data points at an early stage of dynamics propagation.} This early prediction sets the stage for efficient data generation by leveraging additional velocity information along the trajectory. On standard image generation benchmarks, our model yields favorable performance over baselines in the regime of small Number of Function Evaluations (NFEs). Furthermore, our approach rivals the performance of diffusion models equipped with efficient sampling techniques, underscoring its potential as a new tool generative modeling.
Authors: Yuan-Heng Wang, Hoshin V. Gupta
Abstract: Although decades of effort have been devoted to building Physical-Conceptual (PC) models for predicting the time-series evolution of geoscientific systems, recent work shows that Machine Learning (ML) based Gated Recurrent Neural Network technology can be used to develop models that are much more accurate. However, the difficulty of extracting physical understanding from ML-based models complicates their utility for enhancing scientific knowledge regarding system structure and function. Here, we propose a physically-interpretable Mass Conserving Perceptron (MCP) as a way to bridge the gap between PC-based and ML-based modeling approaches. The MCP exploits the inherent isomorphism between the directed graph structures underlying both PC models and GRNNs to explicitly represent the mass-conserving nature of physical processes while enabling the functional nature of such processes to be directly learned (in an interpretable manner) from available data using off-the-shelf ML technology. As a proof of concept, we investigate the functional expressivity (capacity) of the MCP, explore its ability to parsimoniously represent the rainfall-runoff (RR) dynamics of the Leaf River Basin, and demonstrate its utility for scientific hypothesis testing. To conclude, we discuss extensions of the concept to enable ML-based physical-conceptual representation of the coupled nature of mass-energy-information flows through geoscientific systems.
Authors: Hengrui Zhang, Jiani Zhang, Balasubramaniam Srinivasan, Zhengyuan Shen, Xiao Qin, Christos Faloutsos, Huzefa Rangwala, George Karypis
Abstract: Recent advances in tabular data generation have greatly enhanced synthetic data quality. However, extending diffusion models to tabular data is challenging due to the intricately varied distributions and a blend of data types of tabular data. This paper introduces Tabsyn, a methodology that synthesizes tabular data by leveraging a diffusion model within a variational autoencoder (VAE) crafted latent space. The key advantages of the proposed Tabsyn include (1) Generality: the ability to handle a broad spectrum of data types by converting them into a single unified space and explicitly capture inter-column relations; (2) Quality: optimizing the distribution of latent embeddings to enhance the subsequent training of diffusion models, which helps generate high-quality synthetic data, (3) Speed: much fewer number of reverse steps and faster synthesis speed than existing diffusion-based methods. Extensive experiments on six datasets with five metrics demonstrate that Tabsyn outperforms existing methods. Specifically, it reduces the error rates by 86% and 67% for column-wise distribution and pair-wise column correlation estimations compared with the most competitive baselines.
Authors: Huifa Li, Jie Fu, Zhili Chen, Xiaomin Yang, Haitao Liu, Xinpeng Ling
Abstract: Single-cell RNA sequencing (scRNA-seq) is important to transcriptomic analysis of gene expression. Recently, deep learning has facilitated the analysis of high-dimensional single-cell data. Unfortunately, deep learning models may leak sensitive information about users. As a result, Differential Privacy (DP) is increasingly used to protect privacy. However, existing DP methods usually perturb whole neural networks to achieve differential privacy, and hence result in great performance overheads. To address this challenge, in this paper, we take advantage of the uniqueness of the autoencoder that it outputs only the dimension-reduced vector in the middle of the network, and design a Differentially Private Deep Contrastive Autoencoder Network (DP-DCAN) by partial network perturbation for single-cell clustering. Since only partial network is added with noise, the performance improvement is obvious and twofold: one part of network is trained with less noise due to a bigger privacy budget, and the other part is trained without any noise. Experimental results of six datasets have verified that DP-DCAN is superior to the traditional DP scheme with whole network perturbation. Moreover, DP-DCAN demonstrates strong robustness to adversarial attacks.
Authors: Wei Wang, Takashi Ishida, Yu-Jie Zhang, Gang Niu, Masashi Sugiyama
Abstract: Complementary-label learning is a weakly supervised learning problem in which each training example is associated with one or multiple complementary labels indicating the classes to which it does not belong. Existing consistent approaches have relied on the uniform distribution assumption to model the generation of complementary labels, or on an ordinary-label training set to estimate the transition matrix in non-uniform cases. However, either condition may not be satisfied in real-world scenarios. In this paper, we propose a novel consistent approach that does not rely on these conditions. Inspired by the positive-unlabeled (PU) learning literature, we propose an unbiased risk estimator based on the Selected-Completely-at-Random assumption for complementary-label learning. We then introduce a risk-correction approach to address overfitting problems. Furthermore, we find that complementary-label learning can be expressed as a set of negative-unlabeled binary classification problems when using the one-versus-rest strategy. Extensive experimental results on both synthetic and real-world benchmark datasets validate the superiority of our proposed approach over state-of-the-art methods.
Authors: Gabriele D'Acunto, Paolo Di Lorenzo, Francesco Bonchi, Stefania Sardellitti, Sergio Barbarossa
Abstract: Despite the large research effort devoted to learning dependencies between time series, the state of the art still faces a major limitation: existing methods learn partial correlations but fail to discriminate across distinct frequency bands. Motivated by many applications in which this differentiation is pivotal, we overcome this limitation by learning a block-sparse, frequency-dependent, partial correlation graph, in which layers correspond to different frequency bands, and partial correlations can occur over just a few layers. To this aim, we formulate and solve two nonconvex learning problems: the first has a closed-form solution and is suitable when there is prior knowledge about the number of partial correlations; the second hinges on an iterative solution based on successive convex approximation, and is effective for the general case where no prior knowledge is available. Numerical results on synthetic data show that the proposed methods outperform the current state of the art. Finally, the analysis of financial time series confirms that partial correlations exist only within a few frequency bands, underscoring how our methods enable the gaining of valuable insights that would be undetected without discriminating along the frequency domain.
Authors: Soheil Zibakhsh Shabgahi, Nojan Sheybani, Aiden Tabrizi, Farinaz Koushanfar
Abstract: Feedback-driven optimization, such as traditional machine learning training, is a static process that lacks real-time adaptability of hyperparameters. Tuning solutions for optimization require trial and error paired with checkpointing and schedulers, in many cases feedback from the algorithm is overlooked. Adjusting hyperparameters during optimization usually requires the program to be restarted, wasting utilization and time, while placing unnecessary strain on memory and processors. We present LiveTune, a novel framework allowing real-time parameter adjustment of optimization loops through LiveVariables. Live Variables allow for continuous feedback-driven optimization by storing parameters on designated ports on the system, allowing them to be dynamically adjusted. Extensive evaluations of our framework on standard machine learning training pipelines show saving up to 60 seconds and 5.4 Kilojoules of energy per hyperparameter change. We also show the feasibility and value of LiveTune in a reinforcement learning application where the users change the dynamics of the reward structure while the agent is learning showing 5x improvement over the baseline. Finally, we outline a fully automated workflow to provide end-to-end, unsupervised feedback-driven optimization.
Authors: Mithun Singh, Kapil Ahuja, Milind B. Ratnaparkhe
Abstract: Phenotypic (or Physical) characteristics of plant species are commonly used to perform clustering. In one of our recent works (Shastri et al. (2021)), we used a probabilistically sampled (using pivotal sampling) and spectrally clustered algorithm to group soybean species. These techniques were used to obtain highly accurate clusterings at a reduced cost. In this work, we extend the earlier algorithm to cluster rice species. We improve the base algorithm in three ways. First, we propose a new function to build the similarity matrix in Spectral Clustering. Commonly, a natural exponential function is used for this purpose. Based upon the spectral graph theory and the involved Cheeger's inequality, we propose the use a base "a" exponential function instead. This gives a similarity matrix spectrum favorable for clustering, which we support via an eigenvalue analysis. Also, the function used to build the similarity matrix in Spectral Clustering was earlier scaled with a fixed factor (called global scaling). Based upon the idea of Zelnik-Manor and Perona (2004), we now use a factor that varies with matrix elements (called local scaling) and works better. Second, to compute the inclusion probability of a specie in the pivotal sampling algorithm, we had earlier used the notion of deviation that captured how far specie's characteristic values were from their respective base values (computed over all species). A maximum function was used before to find the base values. We now use a median function, which is more intuitive. We support this choice using a statistical analysis. Third, with experiments on 1865 rice species, we demonstrate that in terms of silhouette values, our new Sampled Spectral Clustering is 61% better than Hierarchical Clustering (currently prevalent). Also, our new algorithm is significantly faster than Hierarchical Clustering due to the involved sampling.
Authors: Matea Marinova, Daniel Denkovski, Hristijan Gjoreski, Zoran Hadzi-Velkov, Valentin Rakovic
Abstract: Split Learning (SL) is a promising Distributed Learning approach in electromyography (EMG) based prosthetic control, due to its applicability within resource-constrained environments. Other learning approaches, such as Deep Learning and Federated Learning (FL), provide suboptimal solutions, since prosthetic devices are extremely limited in terms of processing power and battery life. The viability of implementing SL in such scenarios is caused by its inherent model partitioning, with clients executing the smaller model segment. However, selecting an inadequate cut layer hinders the training process in SL systems. This paper presents an algorithm for optimal cut layer selection in terms of maximizing the convergence rate of the model. The performance evaluation demonstrates that the proposed algorithm substantially accelerates the convergence in an EMG pattern recognition task for improving prosthetic device control.
Authors: Jing Li, Zhijie Sun, Xuan He, Li Zeng, Yi Lin, Entong Li, Binfan Zheng, Rongqian Zhao, Xin Chen
Abstract: The Mixtures-of-Experts (MoE) model is a widespread distributed and integrated learning method for large language models (LLM), which is favored due to its ability to sparsify and expand models efficiently. However, the performance of MoE is limited by load imbalance and high latency of All-to-All communication, along with relatively redundant computation owing to large expert capacity. Load imbalance may result from existing routing policies that consistently tend to select certain experts. The frequent inter-node communication in the All-to-All procedure also significantly prolongs the training time. To alleviate the above performance problems, we propose a novel routing strategy that combines load balance and locality by converting partial inter-node communication to that of intra-node. Notably, we elucidate that there is a minimum threshold for expert capacity, calculated through the maximal angular deviation between the gating weights of the experts and the assigned tokens. We port these modifications on the PanGu-Sigma model based on the MindSpore framework with multi-level routing and conduct experiments on Ascend clusters. The experiment results demonstrate that the proposed LocMoE reduces training time per epoch by 12.68% to 22.24% compared to classical routers, such as hash router and switch router, without impacting the model accuracy.
Authors: Tyler Ingebrand, Amy Zhang, Ufuk Topcu
Abstract: Although reinforcement learning (RL) can solve many challenging sequential decision making problems, achieving zero-shot transfer across related tasks remains a challenge. The difficulty lies in finding a good representation for the current task so that the agent understands how it relates to previously seen tasks. To achieve zero-shot transfer, we introduce the function encoder, a representation learning algorithm which represents a function as a weighted combination of learned, non-linear basis functions. By using a function encoder to represent the reward function or the transition function, the agent has information on how the current task relates to previously seen tasks via a coherent vector representation. Thus, the agent is able to achieve transfer between related tasks at run time with no additional training. We demonstrate state-of-the-art data efficiency, asymptotic performance, and training stability in three RL fields by augmenting basic RL algorithms with a function encoder task representation.
Authors: Yahong Yang, Juncai He
Abstract: Constructing the architecture of a neural network is a challenging pursuit for the machine learning community, and the dilemma of whether to go deeper or wider remains a persistent question. This paper explores a comparison between deeper neural networks (DeNNs) with a flexible number of layers and wider neural networks (WeNNs) with limited hidden layers, focusing on their optimal generalization error in Sobolev losses. Analytical investigations reveal that the architecture of a neural network can be significantly influenced by various factors, including the number of sample points, parameters within the neural networks, and the regularity of the loss function. Specifically, a higher number of parameters tends to favor WeNNs, while an increased number of sample points and greater regularity in the loss function lean towards the adoption of DeNNs. We ultimately apply this theory to address partial differential equations using deep Ritz and physics-informed neural network (PINN) methods, guiding the design of neural networks.
Authors: Junaid Iqbal Khan
Abstract: The current trend in data regulation requirements and privacy-preserving machine learning has emphasized the importance of machine unlearning. The naive approach to unlearning training data by retraining over the complement of the forget samples is susceptible to computational challenges. These challenges have been effectively addressed through a collection of techniques falling under the umbrella of machine unlearning. However, there still exists a lack of sufficiency in handling persistent computational challenges in harmony with the utility and privacy of unlearned model. We attribute this to the lack of work on improving the computational complexity of approximate unlearning from the perspective of the training dataset. In this paper, we aim to fill this gap by introducing dataset condensation as an essential component of machine unlearning in the context of image classification. To achieve this goal, we propose new dataset condensation techniques and an innovative unlearning scheme that strikes a balance between machine unlearning privacy, utility, and efficiency. Furthermore, we present a novel and effective approach to instrumenting machine unlearning and propose its application in defending against membership inference and model inversion attacks. Additionally, we explore a new application of our approach, which involves removing data from `condensed model', which can be employed to quickly train any arbitrary model without being influenced by unlearning samples. The corresponding code is available at \href{https://github.com/algebraicdianuj/DC_U}{URL}.
Authors: Wei Ju, Siyu Yi, Yifan Wang, Qingqing Long, Junyu Luo, Zhiping Xiao, Ming Zhang
Abstract: Graph-structured data, prevalent in domains ranging from social networks to biochemical analysis, serve as the foundation for diverse real-world systems. While graph neural networks demonstrate proficiency in modeling this type of data, their success is often reliant on significant amounts of labeled data, posing a challenge in practical scenarios with limited annotation resources. To tackle this problem, tremendous efforts have been devoted to enhancing graph machine learning performance under low-resource settings by exploring various approaches to minimal supervision. In this paper, we introduce a novel concept of Data-Efficient Graph Learning (DEGL) as a research frontier, and present the first survey that summarizes the current progress of DEGL. We initiate by highlighting the challenges inherent in training models with large labeled data, paving the way for our exploration into DEGL. Next, we systematically review recent advances on this topic from several key aspects, including self-supervised graph learning, semi-supervised graph learning, and few-shot graph learning. Also, we state promising directions for future research, contributing to the evolution of graph machine learning.
Authors: Maciej Wo{\l}czyk, Bart{\l}omiej Cupia{\l}, Mateusz Ostaszewski, Micha{\l} Bortkiewicz, Micha{\l} Zaj\k{a}c, Razvan Pascanu, {\L}ukasz Kuci\'nski, Piotr Mi{\l}o\'s
Abstract: Fine-tuning is a widespread technique that allows practitioners to transfer pre-trained capabilities, as recently showcased by the successful applications of foundation models. However, fine-tuning reinforcement learning (RL) models remains a challenge. This work conceptualizes one specific cause of poor transfer, accentuated in the RL setting by the interplay between actions and observations: forgetting of pre-trained capabilities. Namely, a model deteriorates on the state subspace of the downstream task not visited in the initial phase of fine-tuning, on which the model behaved well due to pre-training. This way, we lose the anticipated transfer benefits. We identify conditions when this problem occurs, showing that it is common and, in many cases, catastrophic. Through a detailed empirical analysis of the challenging NetHack and Montezuma's Revenge environments, we show that standard knowledge retention techniques mitigate the problem and thus allow us to take full advantage of the pre-trained capabilities. In particular, in NetHack, we achieve a new state-of-the-art for neural models, improving the previous best score from $5$K to over $10$K points in the Human Monk scenario.
Authors: Idan Achituve, Idit Diamant, Arnon Netzer, Gal Chechik, Ethan Fetaya
Abstract: As machine learning becomes more prominent there is a growing demand to perform several inference tasks in parallel. Running a dedicated model for each task is computationally expensive and therefore there is a great interest in multi-task learning (MTL). MTL aims at learning a single model that solves several tasks efficiently. Optimizing MTL models is often achieved by computing a single gradient per task and aggregating them for obtaining a combined update direction. However, these approaches do not consider an important aspect, the sensitivity in the gradient dimensions. Here, we introduce a novel gradient aggregation approach using Bayesian inference. We place a probability distribution over the task-specific parameters, which in turn induce a distribution over the gradients of the tasks. This additional valuable information allows us to quantify the uncertainty in each of the gradients dimensions, which can then be factored in when aggregating them. We empirically demonstrate the benefits of our approach in a variety of datasets, achieving state-of-the-art performance.
Authors: Jordan Juravsky, Bradley Brown, Ryan Ehrlich, Daniel Y. Fu, Christopher R\'e, Azalia Mirhoseini
Abstract: Transformer-based large language models (LLMs) are now deployed to hundreds of millions of users. LLM inference is commonly performed on batches of sequences that share a prefix, such as few-shot examples or a chatbot system prompt. Decoding in this large-batch setting can be bottlenecked by the attention operation, which reads large key-value (KV) caches from memory and computes inefficient matrix-vector products for every sequence in the batch. In this work, we introduce Hydragen, a hardware-aware exact implementation of attention with shared prefixes. Hydragen computes attention over the shared prefix and unique suffixes separately. This decomposition enables efficient prefix attention by batching queries together across sequences, reducing redundant memory reads and enabling the use of hardware-friendly matrix multiplications. Our method can improve end-to-end CodeLlama-13b throughput by up to 32x against competitive baselines, with speedup growing with the batch size and shared prefix length. Hydragen also enables the use of very long shared contexts: with a large batch size, increasing the prefix length from 1K to 16K tokens decreases Hydragen throughput by less than 15%, while the throughput of baselines drops by over 90%. Hydragen generalizes beyond simple prefix-suffix decomposition and can be applied to tree-based prompt sharing patterns, allowing us to further reduce inference time on competitive programming problems by 55%.
Authors: Yingru Li, Jiawei Xu, Lei Han, Zhi-Quan Luo
Abstract: To solve complex tasks under resource constraints, reinforcement learning (RL) agents need to be simple, efficient, and scalable, addressing (1) large state spaces and (2) the continuous accumulation of interaction data. We propose HyperAgent, an RL framework featuring the hypermodel and index sampling schemes that enable computation-efficient incremental approximation for the posteriors associated with general value functions without the need for conjugacy, and data-efficient action selection. Implementing HyperAgent is straightforward, requiring only one additional module beyond what is necessary for Double-DQN. HyperAgent stands out as the first method to offer robust performance in large-scale deep RL benchmarks while achieving provably scalable per-step computational complexity and attaining sublinear regret under tabular assumptions. HyperAgent can solve Deep Sea hard exploration problems with episodes that optimally scale with problem size and exhibits significant efficiency gains in both data and computation under the Atari benchmark. The core of our theoretical analysis is the sequential posterior approximation argument, enabled by the first analytical tool for sequential random projection -- a non-trivial martingale extension of the Johnson-Lindenstrauss. This work bridges the theoretical and practical realms of RL, establishing a new benchmark for RL algorithm design.
Authors: Tianying Ji, Yongyuan Liang, Yan Zeng, Yu Luo, Guowei Xu, Jiawei Guo, Ruijie Zheng, Furong Huang, Fuchun Sun, Huazhe Xu
Abstract: The varying significance of distinct primitive behaviors during the policy learning process has been overlooked by prior model-free RL algorithms. Leveraging this insight, we explore the causal relationship between different action dimensions and rewards to evaluate the significance of various primitive behaviors during training. We introduce a causality-aware entropy term that effectively identifies and prioritizes actions with high potential impacts for efficient exploration. Furthermore, to prevent excessive focus on specific primitive behaviors, we analyze the gradient dormancy phenomenon and introduce a dormancy-guided reset mechanism to further enhance the efficacy of our method. Our proposed algorithm, ACE: Off-policy Actor-critic with Causality-aware Entropy regularization, demonstrates a substantial performance advantage across 29 diverse continuous control tasks spanning 7 domains compared to model-free RL baselines, which underscores the effectiveness, versatility, and efficient sample efficiency of our approach. Benchmark results and videos are available at https://ace-rl.github.io/.
Authors: Dharmesh Tailor, Aditya Patra, Rajeev Verma, Putra Manggala, Eric Nalisnick
Abstract: The learning to defer (L2D) framework allows autonomous systems to be safe and robust by allocating difficult decisions to a human expert. All existing work on L2D assumes that each expert is well-identified, and if any expert were to change, the system should be re-trained. In this work, we alleviate this constraint, formulating an L2D system that can cope with never-before-seen experts at test-time. We accomplish this by using meta-learning, considering both optimization- and model-based variants. Given a small context set to characterize the currently available expert, our framework can quickly adapt its deferral policy. For the model-based approach, we employ an attention mechanism that is able to look for points in the context set that are similar to a given test point, leading to an even more precise assessment of the expert's abilities. In the experiments, we validate our methods on image recognition, traffic sign detection, and skin lesion diagnosis benchmarks.
Authors: Riccardo Crupi, Daniele Regoli, Alessandro Damiano Sabatino, Immacolata Marano, Massimiliano Brinis, Luca Albertazzi, Andrea Cirillo, Andrea Claudio Cosentini
Abstract: Explaining outliers occurrence and mechanism of their occurrence can be extremely important in a variety of domains. Malfunctions, frauds, threats, in addition to being correctly identified, oftentimes need a valid explanation in order to effectively perform actionable counteracts. The ever more widespread use of sophisticated Machine Learning approach to identify anomalies make such explanations more challenging. We present the Decision Tree Outlier Regressor (DTOR), a technique for producing rule-based explanations for individual data points by estimating anomaly scores generated by an anomaly detection model. This is accomplished by first applying a Decision Tree Regressor, which computes the estimation score, and then extracting the relative path associated with the data point score. Our results demonstrate the robustness of DTOR even in datasets with a large number of features. Additionally, in contrast to other rule-based approaches, the generated rules are consistently satisfied by the points to be explained. Furthermore, our evaluation metrics indicate comparable performance to Anchors in outlier explanation tasks, with reduced execution time.
Authors: Lincan Li, Hanchen Wang, Wenjie Zhang, Adelle Coster
Abstract: Spatial-Temporal Graph (STG) data is characterized as dynamic, heterogenous, and non-stationary, leading to the continuous challenge of spatial-temporal graph learning. In the past few years, various GNN-based methods have been proposed to solely focus on mimicking the relationships among node individuals of the STG network, ignoring the significance of modeling the intrinsic features that exist in STG system over time. In contrast, modern Selective State Space Models (SSSMs) present a new approach which treat STG Network as a system, and meticulously explore the STG system's dynamic state evolution across temporal dimension. In this work, we introduce Spatial-Temporal Graph Mamba (STG-Mamba) as the first exploration of leveraging the powerful selective state space models for STG learning by treating STG Network as a system, and employing the Spatial-Temporal Selective State Space Module (ST-S3M) to precisely focus on the selected STG latent features. Furthermore, to strengthen GNN's ability of modeling STG data under the setting of selective state space models, we propose Kalman Filtering Graph Neural Networks (KFGN) for dynamically integrate and upgrade the STG embeddings from different temporal granularities through a learnable Kalman Filtering statistical theory-based approach. Extensive empirical studies are conducted on three benchmark STG forecasting datasets, demonstrating the performance superiority and computational efficiency of STG-Mamba. It not only surpasses existing state-of-the-art methods in terms of STG forecasting performance, but also effectively alleviate the computational bottleneck of large-scale graph networks in reducing the computational cost of FLOPs and test inference time. The implementation code is available at: \url{https://github.com/LincanLi98/STG-Mamba}.
Authors: Francisco Mena, Diego Arenas, Marcela Charfuelan, Marlon Nuske, Andreas Dengel
Abstract: Earth observation (EO) applications involving complex and heterogeneous data sources are commonly approached with machine learning models. However, there is a common assumption that data sources will be persistently available. Different situations could affect the availability of EO sources, like noise, clouds, or satellite mission failures. In this work, we assess the impact of missing temporal and static EO sources in trained models across four datasets with classification and regression tasks. We compare the predictive quality of different methods and find that some are naturally more robust to missing data. The Ensemble strategy, in particular, achieves a prediction robustness up to 100%. We evidence that missing scenarios are significantly more challenging in regression than classification tasks. Finally, we find that the optical view is the most critical view when it is missing individually.
Authors: Jonathan Lebensold, Maziar Sanjabi, Pietro Astolfi, Adriana Romero-Soriano, Kamalika Chaudhuri, Mike Rabbat, Chuan Guo
Abstract: Text-to-image diffusion models have been shown to suffer from sample-level memorization, possibly reproducing near-perfect replica of images that they are trained on, which may be undesirable. To remedy this issue, we develop the first differentially private (DP) retrieval-augmented generation algorithm that is capable of generating high-quality image samples while providing provable privacy guarantees. Specifically, we assume access to a text-to-image diffusion model trained on a small amount of public data, and design a DP retrieval mechanism to augment the text prompt with samples retrieved from a private retrieval dataset. Our \emph{differentially private retrieval-augmented diffusion model} (DP-RDM) requires no fine-tuning on the retrieval dataset to adapt to another domain, and can use state-of-the-art generative models to generate high-quality image samples while satisfying rigorous DP guarantees. For instance, when evaluated on MS-COCO, our DP-RDM can generate samples with a privacy budget of $\epsilon=10$, while providing a $3.5$ point improvement in FID compared to public-only retrieval for up to $10,000$ queries.
Authors: Jiawu Tian, Liwei Xu, Xiaowei Zhang, Yongqi Li
Abstract: Training deep neural networks is a challenging task. In order to speed up training and enhance the performance of deep neural networks, we rectify the vanilla conjugate gradient as conjugate-gradient-like and incorporate it into the generic Adam, and thus propose a new optimization algorithm named CG-like-Adam for deep learning. Specifically, both the first-order and the second-order moment estimation of generic Adam are replaced by the conjugate-gradient-like. Convergence analysis handles the cases where the exponential moving average coefficient of the first-order moment estimation is constant and the first-order moment estimation is unbiased. Numerical experiments show the superiority of the proposed algorithm based on the CIFAR10/100 dataset.
Authors: Shuai Guo, Jielei Chu, Lei Zhu, Zhaoyu Li, Tianrui Li
Abstract: Generative Flow Networks (GFlowNets or GFNs) are probabilistic models predicated on Markov flows, and they employ specific amortization algorithms to learn stochastic policies that generate compositional substances including biomolecules, chemical materials, etc. With a strong ability to generate high-performance biochemical molecules, GFNs accelerate the discovery of scientific substances, effectively overcoming the time-consuming, labor-intensive, and costly shortcomings of conventional material discovery methods. However, previous studies rarely focus on accumulating exploratory experience by adjusting generative structures, which leads to disorientation in complex sampling spaces. Efforts to address this issue, such as LS-GFN, are limited to local greedy searches and lack broader global adjustments. This paper introduces a novel variant of GFNs, the Dynamic Backtracking GFN (DB-GFN), which improves the adaptability of decision-making steps through a reward-based dynamic backtracking mechanism. DB-GFN allows backtracking during the network construction process according to the current state's reward value, thereby correcting disadvantageous decisions and exploring alternative pathways during the exploration process. When applied to generative tasks involving biochemical molecules and genetic material sequences, DB-GFN outperforms GFN models such as LS-GFN and GTB, as well as traditional reinforcement learning methods, in sample quality, sample exploration quantity, and training convergence speed. Additionally, owing to its orthogonal nature, DB-GFN shows great potential in future improvements of GFNs, and it can be integrated with other strategies to achieve higher search performance.
Authors: Wei Duan, Jie Lu, Junyu Xuan
Abstract: Cooperative Multi-Agent Reinforcement Learning (MARL) necessitates seamless collaboration among agents, often represented by an underlying relation graph. Existing methods for learning this graph primarily focus on agent-pair relations, neglecting higher-order relationships. While several approaches attempt to extend cooperation modelling to encompass behaviour similarities within groups, they commonly fall short in concurrently learning the latent graph, thereby constraining the information exchange among partially observed agents. To overcome these limitations, we present a novel approach to infer the Group-Aware Coordination Graph (GACG), which is designed to capture both the cooperation between agent pairs based on current observations and group-level dependencies from behaviour patterns observed across trajectories. This graph is further used in graph convolution for information exchange between agents during decision-making. To further ensure behavioural consistency among agents within the same group, we introduce a group distance loss, which promotes group cohesion and encourages specialization between groups. Our evaluations, conducted on StarCraft II micromanagement tasks, demonstrate GACG's superior performance. An ablation study further provides experimental evidence of the effectiveness of each component of our method.
Authors: Yaojun Hu, Jintai Chen, Lianting Hu, Dantong Li, Jiahuan Yan, Haochao Ying, Huiying Liang, Jian Wu
Abstract: Heart diseases rank among the leading causes of global mortality, demonstrating a crucial need for early diagnosis and intervention. Most traditional electrocardiogram (ECG) based automated diagnosis methods are trained at population level, neglecting the customization of personalized ECGs to enhance individual healthcare management. A potential solution to address this limitation is to employ digital twins to simulate symptoms of diseases in real patients. In this paper, we present an innovative prospective learning approach for personalized heart disease detection, which generates digital twins of healthy individuals' anomalous ECGs and enhances the model sensitivity to the personalized symptoms. In our approach, a vector quantized feature separator is proposed to locate and isolate the disease symptom and normal segments in ECG signals with ECG report guidance. Thus, the ECG digital twins can simulate specific heart diseases used to train a personalized heart disease detection model. Experiments demonstrate that our approach not only excels in generating high-fidelity ECG signals but also improves personalized heart disease detection. Moreover, our approach ensures robust privacy protection, safeguarding patient data in model development.
Authors: Kosio Beshkov, Gaute T. Einevoll
Abstract: Neural networks can be thought of as applying a transformation to an input dataset. The way in which they change the topology of such a dataset often holds practical significance for many tasks, particularly those demanding non-homeomorphic mappings for optimal solutions, such as classification problems. In this work, we leverage the fact that neural networks are equivalent to continuous piecewise-affine maps, whose rank can be used to pinpoint regions in the input space that undergo non-homeomorphic transformations, leading to alterations in the topological structure of the input dataset. Our approach enables us to make use of the relative homology sequence, with which one can study the homology groups of the quotient of a manifold $\mathcal{M}$ and a subset $A$, assuming some minimal properties on these spaces. As a proof of principle, we empirically investigate the presence of low-rank (topology-changing) affine maps as a function of network width and mean weight. We show that in randomly initialized narrow networks, there will be regions in which the (co)homology groups of a data manifold can change. As the width increases, the homology groups of the input manifold become more likely to be preserved. We end this part of our work by constructing highly non-random wide networks that do not have this property and relating this non-random regime to Dale's principle, which is a defining characteristic of biological neural networks. Finally, we study simple feedforward networks trained on MNIST, as well as on toy classification and regression tasks, and show that networks manipulate the topology of data differently depending on the continuity of the task they are trained on.
Authors: Zhao-Rong Lai, Weiwen Wang
Abstract: Invariant risk minimization (IRM) is an arising approach to generalize invariant features to different environments in machine learning. While most related works focus on new IRM settings or new application scenarios, the mathematical essence of IRM remains to be properly explained. We verify that IRM is essentially a total variation based on $L^2$ norm (TV-$\ell_2$) of the learning risk with respect to the classifier variable. Moreover, we propose a novel IRM framework based on the TV-$\ell_1$ model. It not only expands the classes of functions that can be used as the learning risk, but also has robust performance in denoising and invariant feature preservation based on the coarea formula. We also illustrate some requirements for IRM-TV-$\ell_1$ to achieve out-of-distribution generalization. Experimental results show that the proposed framework achieves competitive performance in several benchmark machine learning scenarios.
Authors: Sebastian {\O}stby, Tobias M. Brambo, Sondre Glimsdal
Abstract: This paper introduces the Sparse Tsetlin Machine (STM), a novel Tsetlin Machine (TM) that processes sparse data efficiently. Traditionally, the TM does not consider data characteristics such as sparsity, commonly seen in NLP applications and other bag-of-word-based representations. Consequently, a TM must initialize, store, and process a significant number of zero values, resulting in excessive memory usage and computational time. Previous attempts at creating a sparse TM have predominantly been unsuccessful, primarily due to their inability to identify which literals are sufficient for TM training. By introducing Active Literals (AL), the STM can focus exclusively on literals that actively contribute to the current data representation, significantly decreasing memory footprint and computational time while demonstrating competitive classification performance.
Authors: M. Saquib Sarfraz, Mei-Yen Chen, Lukas Layer, Kunyu Peng, Marios Koulakis
Abstract: The current state of machine learning scholarship in Timeseries Anomaly Detection (TAD) is plagued by the persistent use of flawed evaluation metrics, inconsistent benchmarking practices, and a lack of proper justification for the choices made in novel deep learning-based model designs. Our paper presents a critical analysis of the status quo in TAD, revealing the misleading track of current research and highlighting problematic methods, and evaluation practices. Our position advocates for a shift in focus from solely pursuing novel model designs to improving benchmarking practices, creating non-trivial datasets, and critically evaluating the utility of complex methods against simpler baselines. Our findings demonstrate the need for rigorous evaluation protocols, the creation of simple baselines, and the revelation that state-of-the-art deep anomaly detection models effectively learn linear mappings. These findings suggest the need for more exploration and development of simple and interpretable TAD methods. The increment of model complexity in the state-of-the-art deep-learning based models unfortunately offers very little improvement. We offer insights and suggestions for the field to move forward. Code: https://github.com/ssarfraz/QuoVadisTAD
Authors: Anshuman Chhabra, Bo Li, Jian Chen, Prasant Mohapatra, Hongfu Liu
Abstract: Influence functions offer a robust framework for assessing the impact of each training data sample on model predictions, serving as a prominent tool in data-centric learning. Despite their widespread use in various tasks, the strong convexity assumption on the model and the computational cost associated with calculating the inverse of the Hessian matrix pose constraints, particularly when analyzing large deep models. This paper focuses on a classical data-centric scenario--trimming detrimental samples--and addresses both challenges within a unified framework. Specifically, we establish an equivalence transformation between identifying detrimental training samples via influence functions and outlier gradient detection. This transformation not only presents a straightforward and Hessian-free formulation but also provides profound insights into the role of the gradient in sample impact. Moreover, it relaxes the convexity assumption of influence functions, extending their applicability to non-convex deep models. Through systematic empirical evaluations, we first validate the correctness of our proposed outlier gradient analysis on synthetic datasets and then demonstrate its effectiveness in detecting mislabeled samples in vision models, selecting data samples for improving performance of transformer models for natural language processing, and identifying influential samples for fine-tuned Large Language Models.
Authors: Zhao Ding, Chenguang Duan, Yuling Jiao, Ruoxuan Li, Jerry Zhijian Yang, Pingwen Zhang
Abstract: We propose the characteristic generator, a novel one-step generative model that combines the efficiency of sampling in Generative Adversarial Networks (GANs) with the stable performance of flow-based models. Our model is driven by characteristics, along which the probability density transport can be described by ordinary differential equations (ODEs). Specifically, We estimate the velocity field through nonparametric regression and utilize Euler method to solve the probability flow ODE, generating a series of discrete approximations to the characteristics. We then use a deep neural network to fit these characteristics, ensuring a one-step mapping that effectively pushes the prior distribution towards the target distribution. In the theoretical aspect, we analyze the errors in velocity matching, Euler discretization, and characteristic fitting to establish a non-asymptotic convergence rate for the characteristic generator in 2-Wasserstein distance. To the best of our knowledge, this is the first thorough analysis for simulation-free one step generative models. Additionally, our analysis refines the error analysis of flow-based generative models in prior works. We apply our method on both synthetic and real datasets, and the results demonstrate that the characteristic generator achieves high generation quality with just a single evaluation of neural network.
Authors: Kristina P. Sinaga
Abstract: In this paper, we show two new variants of multi-view k-means (MVKM) algorithms to address multi-view data. The general idea is to outline the distance between $h$-th view data points $x_i^h$ and $h$-th view cluster centers $a_k^h$ in a different manner of centroid-based approach. Unlike other methods, our proposed methods learn the multi-view data by calculating the similarity using Euclidean norm in the space of Gaussian-kernel, namely as multi-view k-means with exponent distance (MVKM-ED). By simultaneously aligning the stabilizer parameter $p$ and kernel coefficients $\beta^h$, the compression of Gaussian-kernel based weighted distance in Euclidean norm reduce the sensitivity of MVKM-ED. To this end, this paper designated as Gaussian-kernel multi-view k-means (GKMVKM) clustering algorithm. Numerical evaluation of five real-world multi-view data demonstrates the robustness and efficiency of our proposed MVKM-ED and GKMVKM approaches.
Authors: Haojie Duanmu, Zhihang Yuan, Xiuhong Li, Jiangfei Duan, Xingcheng Zhang, Dahua Lin
Abstract: Large language models (LLMs) can now handle longer sequences of tokens, enabling complex tasks like book understanding and generating lengthy novels. However, the key-value (KV) cache required for LLMs consumes substantial memory as context length increasing, becoming the bottleneck for deployment. In this paper, we present a strategy called SKVQ, which stands for sliding-window KV cache quantization, to address the issue of extremely low bitwidth KV cache quantization. To achieve this, SKVQ rearranges the channels of the KV cache in order to improve the similarity of channels in quantization groups, and applies clipped dynamic quantization at the group level. Additionally, SKVQ ensures that the most recent window tokens in the KV cache are preserved with high precision. This helps maintain the accuracy of a small but important portion of the KV cache.SKVQ achieves high compression ratios while maintaining accuracy. Our evaluation on LLMs demonstrates that SKVQ surpasses previous quantization approaches, allowing for quantization of the KV cache to 2-bit keys and 1.5-bit values with minimal loss of accuracy. With SKVQ, it is possible to process context lengths of up to 1M on an 80GB memory GPU for a 7b model and up to 7 times faster decoding.
Authors: Yi Lin, Yanfei Liu, Hao Chen, Xin Yang, Kai Ma, Yefeng Zheng, Kwang-Ting Cheng
Abstract: Radiation therapy treatment planning requires balancing the delivery of the target dose while sparing normal tissues, making it a complex process. To streamline the planning process and enhance its quality, there is a growing demand for knowledge-based planning (KBP). Ensemble learning has shown impressive power in various deep learning tasks, and it has great potential to improve the performance of KBP. However, the effectiveness of ensemble learning heavily depends on the diversity and individual accuracy of the base learners. Moreover, the complexity of model ensembles is a major concern, as it requires maintaining multiple models during inference, leading to increased computational cost and storage overhead. In this study, we propose a novel learning-based ensemble approach named LENAS, which integrates neural architecture search with knowledge distillation for 3D radiotherapy dose prediction. Our approach starts by exhaustively searching each block from an enormous architecture space to identify multiple architectures that exhibit promising performance and significant diversity. To mitigate the complexity introduced by the model ensemble, we adopt the teacher-student paradigm, leveraging the diverse outputs from multiple learned networks as supervisory signals to guide the training of the student network. Furthermore, to preserve high-level semantic information, we design a hybrid-loss to optimize the student network, enabling it to recover the knowledge embedded within the teacher networks. The proposed method has been evaluated on two public datasets, OpenKBP and AIMIS. Extensive experimental results demonstrate the effectiveness of our method and its superior performance to the state-of-the-art methods.
Authors: Wenlong Mou, Ashwin Pananjady, Martin J. Wainwright, Peter L. Bartlett
Abstract: We study stochastic approximation procedures for approximately solving a $d$-dimensional linear fixed point equation based on observing a trajectory of length $n$ from an ergodic Markov chain. We first exhibit a non-asymptotic bound of the order $t_{\mathrm{mix}} \tfrac{d}{n}$ on the squared error of the last iterate of a standard scheme, where $t_{\mathrm{mix}}$ is a mixing time. We then prove a non-asymptotic instance-dependent bound on a suitably averaged sequence of iterates, with a leading term that matches the local asymptotic minimax limit, including sharp dependence on the parameters $(d, t_{\mathrm{mix}})$ in the higher order terms. We complement these upper bounds with a non-asymptotic minimax lower bound that establishes the instance-optimality of the averaged SA estimator. We derive corollaries of these results for policy evaluation with Markov noise -- covering the TD($\lambda$) family of algorithms for all $\lambda \in [0, 1)$ -- and linear autoregressive models. Our instance-dependent characterizations open the door to the design of fine-grained model selection procedures for hyperparameter tuning (e.g., choosing the value of $\lambda$ when running the TD($\lambda$) algorithm).
Authors: Liangyu Zhao, Siddharth Pal, Tapan Chugh, Weiyang Wang, Jason Fantl, Prithwish Basu, Joud Khoury, Arvind Krishnamurthy
Abstract: We consider the problem of distilling efficient network topologies for collective communications. We provide an algorithmic framework for constructing direct-connect topologies optimized for the latency vs. bandwidth trade-off associated with the workload. Our approach synthesizes many different topologies and schedules for a given cluster size and degree and then identifies the appropriate topology and schedule for a given workload. Our algorithms start from small, optimal base topologies and associated communication schedules and use techniques that can be iteratively applied to derive much larger topologies and schedules. Additionally, we incorporate well-studied large-scale graph topologies into our algorithmic framework by producing efficient collective schedules for them using a novel polynomial-time algorithm. Our evaluation uses multiple testbeds and large-scale simulations to demonstrate significant performance benefits from our derived topologies and schedules.
Authors: Nina Deliu, Joseph Jay Williams, Bibhas Chakraborty
Abstract: In recent years, reinforcement learning (RL) has acquired a prominent position in health-related sequential decision-making problems, gaining traction as a valuable tool for delivering adaptive interventions (AIs). However, in part due to a poor synergy between the methodological and the applied communities, its real-life application is still limited and its potential is still to be realized. To address this gap, our work provides the first unified technical survey on RL methods, complemented with case studies, for constructing various types of AIs in healthcare. In particular, using the common methodological umbrella of RL, we bridge two seemingly different AI domains, dynamic treatment regimes and just-in-time adaptive interventions in mobile health, highlighting similarities and differences between them and discussing the implications of using RL. Open problems and considerations for future research directions are outlined. Finally, we leverage our experience in designing case studies in both areas to showcase the significant collaborative opportunities between statistical, RL, and healthcare researchers in advancing AIs.
Authors: Hongyu Hao, Guangtong Li, Zhiming Hu, Huafeng Wang
Abstract: AMR-to-text is one of the key techniques in the NLP community that aims at generating sentences from the Abstract Meaning Representation (AMR) graphs. Since AMR was proposed in 2013, the study on AMR-to-Text has become increasingly prevalent as an essential branch of structured data to text because of the unique advantages of AMR as a high-level semantic description of natural language. In this paper, we provide a brief survey of AMR-to-Text. Firstly, we introduce the current scenario of this technique and point out its difficulties. Secondly, based on the methods used in previous studies, we roughly divided them into five categories according to their respective mechanisms, i.e., Rules-based, Seq-to-Seq-based, Graph-to-Seq-based, Transformer-based, and Pre-trained Language Model (PLM)-based. In particular, we detail the neural network-based method and present the latest progress of AMR-to-Text, which refers to AMR reconstruction, Decoder optimization, etc. Furthermore, we present the benchmarks and evaluation methods of AMR-to-Text. Eventually, we provide a summary of current techniques and the outlook for future research.
Authors: Fabio V. Difonzo, Vyacheslav Kungurtsev, Jakub Marecek
Abstract: Stochastic differential equations of Langevin-diffusion form have received significant attention, thanks to their foundational role in both Bayesian sampling algorithms and optimization in machine learning. In the latter, they serve as a conceptual model of the stochastic gradient flow in training over-parameterized models. However, the literature typically assumes smoothness of the potential, whose gradient is the drift term. Nevertheless, there are many problems for which the potential function is not continuously differentiable, and hence the drift is not Lipschitz continuous everywhere. This is exemplified by robust losses and Rectified Linear Units in regression problems. In this paper, we show some foundational results regarding the flow and asymptotic properties of Langevin-type Stochastic Differential Inclusions under assumptions appropriate to the machine-learning settings. In particular, we show strong existence of the solution, as well as an asymptotic minimization of the canonical free-energy functional.
Authors: Quynh T. Nguyen, Louis Schatzki, Paolo Braccia, Michael Ragone, Patrick J. Coles, Frederic Sauvage, Martin Larocca, M. Cerezo
Abstract: Quantum neural network architectures that have little-to-no inductive biases are known to face trainability and generalization issues. Inspired by a similar problem, recent breakthroughs in machine learning address this challenge by creating models encoding the symmetries of the learning task. This is materialized through the usage of equivariant neural networks whose action commutes with that of the symmetry. In this work, we import these ideas to the quantum realm by presenting a comprehensive theoretical framework to design equivariant quantum neural networks (EQNN) for essentially any relevant symmetry group. We develop multiple methods to construct equivariant layers for EQNNs and analyze their advantages and drawbacks. Our methods can find unitary or general equivariant quantum channels efficiently even when the symmetry group is exponentially large or continuous. As a special implementation, we show how standard quantum convolutional neural networks (QCNN) can be generalized to group-equivariant QCNNs where both the convolution and pooling layers are equivariant to the symmetry group. We then numerically demonstrate the effectiveness of a SU(2)-equivariant QCNN over symmetry-agnostic QCNN on a classification task of phases of matter in the bond-alternating Heisenberg model. Our framework can be readily applied to virtually all areas of quantum machine learning. Lastly, we discuss about how symmetry-informed models such as EQNNs provide hopes to alleviate central challenges such as barren plateaus, poor local minima, and sample complexity.
Authors: Zihan Li, Jonathan Scarlett
Abstract: We consider optimizing a function network in the noise-free grey-box setting with RKHS function classes, where the exact intermediate results are observable. We assume that the structure of the network is known (but not the underlying functions comprising it), and we study three types of structures: (1) chain: a cascade of scalar-valued functions, (2) multi-output chain: a cascade of vector-valued functions, and (3) feed-forward network: a fully connected feed-forward network of scalar-valued functions. We propose a sequential upper confidence bound based algorithm GPN-UCB along with a general theoretical upper bound on the cumulative regret. In addition, we propose a non-adaptive sampling based method along with its theoretical upper bound on the simple regret for the Mat\'ern kernel. We also provide algorithm-independent lower bounds on the simple regret and cumulative regret. Our regret bounds for GPN-UCB have the same dependence on the time horizon as the best known in the vanilla black-box setting, as well as near-optimal dependencies on other parameters (e.g., RKHS norm and network length).
Authors: Dubing Chen, Chenyi Jiang, Haofeng Zhang
Abstract: Attribute-based Zero-Shot Learning (ZSL) has revolutionized the ability of models to recognize new classes not seen during training. However, with the advancement of large-scale models, the expectations have risen. Beyond merely achieving zero-shot generalization, there is a growing demand for universal models that can continually evolve in expert domains using unlabeled data. To address this, we introduce a scaled-down instantiation of this challenge: Evolutionary Generalized Zero-Shot Learning (EGZSL). This setting allows a low-performing zero-shot model to adapt to the test data stream and evolve online. We elaborate on three challenges of this special task, \ie, catastrophic forgetting, initial prediction bias, and evolutionary data class bias. Moreover, we propose targeted solutions for each challenge, resulting in a generic method capable of continuous evolution from a given initial IGZSL model. Experiments on three popular GZSL benchmark datasets demonstrate that our model can learn from the test data stream while other baselines fail. Codes are available at \url{https://github.com/cdb342/EGZSL}.
Authors: Xutan Peng, Yipeng Zhang, Jingfeng Yang, Mark Stevenson
Abstract: Although it has been demonstrated that Natural Language Processing (NLP) algorithms are vulnerable to deliberate attacks, the question of whether such weaknesses can lead to software security threats is under-explored. To bridge this gap, we conducted vulnerability tests on Text-to-SQL systems that are commonly used to create natural language interfaces to databases. We showed that the Text-to-SQL modules within six commercial applications can be manipulated to produce malicious code, potentially leading to data breaches and Denial of Service attacks. This is the first demonstration that NLP models can be exploited as attack vectors in the wild. In addition, experiments using four open-source language models verified that straightforward backdoor attacks on Text-to-SQL systems achieve a 100% success rate without affecting their performance. The aim of this work is to draw the community's attention to potential software security issues associated with NLP algorithms and encourage exploration of methods to mitigate against them.
Authors: Zhao Ren, Yi Chang, Thanh Tam Nguyen, Yang Tan, Kun Qian, Bj\"orn W. Schuller
Abstract: Heart sound auscultation has been applied in clinical usage for early screening of cardiovascular diseases. Due to the high demand for auscultation expertise, automatic auscultation can help with auxiliary diagnosis and reduce the burden of training professional clinicians. Nevertheless, there is a limit to classic machine learning's performance improvement in the era of big data. Deep learning has outperformed classic machine learning in many research fields, as it employs more complex model architectures with a stronger capability of extracting effective representations. Moreover, it has been successfully applied to heart sound analysis in the past years. As most review works about heart sound analysis were carried out before 2017, the present survey is the first to work on a comprehensive overview to summarise papers on heart sound analysis with deep learning published in 2017--2022. This work introduces both classic machine learning and deep learning for comparison, and further offer insights about the advances and future research directions in deep learning for heart sound analysis. Our repository is publicly available at \url{https://github.com/zhaoren91/awesome-heart-sound-analysis}.
URLs: https://github.com/zhaoren91/awesome-heart-sound-analysis
Authors: Vasilis Syrgkanis, Ruohan Zhan
Abstract: We consider estimation and inference using data collected from reinforcement learning algorithms. These algorithms, characterized by their adaptive experimentation, interact with individual units over multiple stages, dynamically adjusting their strategies based on previous interactions. Our goal is to evaluate a counterfactual policy post-data collection and estimate structural parameters, like dynamic treatment effects, which can be used for credit assignment and determining the effect of earlier actions on final outcomes. Such parameters of interest can be framed as solutions to moment equations, but not minimizers of a population loss function, leading to Z-estimation approaches for static data. However, in the adaptive data collection environment of reinforcement learning, where algorithms deploy nonstationary behavior policies, standard estimators do not achieve asymptotic normality due to the fluctuating variance. We propose a weighted Z-estimation approach with carefully designed adaptive weights to stabilize the time-varying estimation variance. We identify proper weighting schemes to restore the consistency and asymptotic normality of the weighted Z-estimators for target parameters, which allows for hypothesis testing and constructing uniform confidence regions. Primary applications include dynamic treatment effect estimation and dynamic off-policy evaluation.
Authors: Tobias Haug, M. S. Kim
Abstract: Generalization is the ability of machine learning models to make accurate predictions on new data by learning from training data. However, understanding generalization of quantum machine learning models has been a major challenge. Here, we introduce the data quantum Fisher information metric (DQFIM). It describes the capacity of variational quantum algorithms depending on variational ansatz, training data and their symmetries. We apply the DQFIM to quantify circuit parameters and training data needed to successfully train and generalize. Using the dynamical Lie algebra, we explain how to generalize using a low number of training states. Counter-intuitively, breaking symmetries of the training data can help to improve generalization. Finally, we find that out-of-distribution generalization, where training and testing data are drawn from different data distributions, can be better than using the same distribution. Our work provides a useful framework to explore the power of quantum machine learning models.
Authors: Keumgang Cha, Junghoon Seo, Taekyung Lee
Abstract: As the potential of foundation models in visual tasks has garnered significant attention, pretraining these models before downstream tasks has become a crucial step. The three key factors in pretraining foundation models are the pretraining method, the size of the pretraining dataset, and the number of model parameters. Recently, research in the remote sensing field has focused primarily on the pretraining method and the size of the dataset, with limited emphasis on the number of model parameters. This paper addresses this gap by examining the effect of increasing the number of model parameters on the performance of foundation models in downstream tasks such as rotated object detection and semantic segmentation. We pretrained foundation models with varying numbers of parameters, including 86M, 605.26M, 1.3B, and 2.4B, to determine whether performance in downstream tasks improved with an increase in parameters. To the best of our knowledge, this is the first billion-scale foundation model in the remote sensing field. Furthermore, we propose an effective method for scaling up and fine-tuning a vision transformer in the remote sensing field. To evaluate general performance in downstream tasks, we employed the DOTA v2.0 and DIOR-R benchmark datasets for rotated object detection, and the Potsdam and LoveDA datasets for semantic segmentation. Experimental results demonstrated that, across all benchmark datasets and downstream tasks, the performance of the foundation models and data efficiency improved as the number of parameters increased. Moreover, our models achieve the state-of-the-art performance on several datasets including DIOR-R, Postdam, and LoveDA.
Authors: Samuel Sokota, Gabriele Farina, David J. Wu, Hengyuan Hu, Kevin A. Wang, J. Zico Kolter, Noam Brown
Abstract: The process of revising (or constructing) a policy at execution time -- known as decision-time planning -- has been key to achieving superhuman performance in perfect-information games like chess and Go. A recent line of work has extended decision-time planning to imperfect-information games, leading to superhuman performance in poker. However, these methods involve solving subgames whose sizes grow quickly in the amount of non-public information, making them unhelpful when the amount of non-public information is large. Motivated by this issue, we introduce an alternative framework for decision-time planning that is not based on solving subgames, but rather on update equivalence. In this update-equivalence framework, decision-time planning algorithms replicate the updates of last-iterate algorithms, which need not rely on public information. This facilitates scalability to games with large amounts of non-public information. Using this framework, we derive a provably sound search algorithm for fully cooperative games based on mirror descent and a search algorithm for adversarial games based on magnetic mirror descent. We validate the performance of these algorithms in cooperative and adversarial domains, notably in Hanabi, the standard benchmark for search in fully cooperative imperfect-information games. Here, our mirror descent approach exceeds or matches the performance of public information-based search while using two orders of magnitude less search time. This is the first instance of a non-public-information-based algorithm outperforming public-information-based approaches in a domain they have historically dominated.
Authors: Charles Arnal, Felix Hensel, Mathieu Carri\`ere, Th\'eo Lacombe, Hiroaki Kurihara, Yuichi Ike, Fr\'ed\'eric Chazal
Abstract: Despite their successful application to a variety of tasks, neural networks remain limited, like other machine learning methods, by their sensitivity to shifts in the data: their performance can be severely impacted by differences in distribution between the data on which they were trained and that on which they are deployed. In this article, we propose a new family of representations, called MAGDiff, that we extract from any given neural network classifier and that allows for efficient covariate data shift detection without the need to train a new model dedicated to this task. These representations are computed by comparing the activation graphs of the neural network for samples belonging to the training distribution and to the target distribution, and yield powerful data- and task-adapted statistics for the two-sample tests commonly used for data set shift detection. We demonstrate this empirically by measuring the statistical powers of two-sample Kolmogorov-Smirnov (KS) tests on several different data sets and shift types, and showing that our novel representations induce significant improvements over a state-of-the-art baseline relying on the network output.
Authors: Yinan Feng, Yinpeng Chen, Peng Jin, Shihang Feng, Zicheng Liu, Youzuo Lin
Abstract: Subsurface imaging involves solving full waveform inversion (FWI) to predict geophysical properties from measurements. This problem can be reframed as an image-to-image translation, with the usual approach being to train an encoder-decoder network using paired data from two domains: geophysical property and measurement. A recent seminal work (InvLINT) demonstrates there is only a linear mapping between the latent spaces of the two domains, and the decoder requires paired data for training. This paper extends this direction by demonstrating that only linear mapping necessitates paired data, while both the encoder and decoder can be learned from their respective domains through self-supervised learning. This unveils an intriguing phenomenon (named Auto-Linear) where the self-learned features of two separate domains are automatically linearly correlated. Compared with existing methods, our Auto-Linear has four advantages: (a) solving both forward and inverse modeling simultaneously, (b) applicable to different subsurface imaging tasks and achieving markedly better results than previous methods, (c)enhanced performance, especially in scenarios with limited paired data and in the presence of noisy data, and (d) strong generalization ability of the trained encoder and decoder.
Authors: Xinbiao Wang, Yuxuan Du, Zhuozhuo Tu, Yong Luo, Xiao Yuan, Dacheng Tao
Abstract: Entanglement serves as the resource to empower quantum computing. Recent progress has highlighted its positive impact on learning quantum dynamics, wherein the integration of entanglement into quantum operations or measurements of quantum machine learning (QML) models leads to substantial reductions in training data size, surpassing a specified prediction error threshold. However, an analytical understanding of how the entanglement degree in data affects model performance remains elusive. In this study, we address this knowledge gap by establishing a quantum no-free-lunch (NFL) theorem for learning quantum dynamics using entangled data. Contrary to previous findings, we prove that the impact of entangled data on prediction error exhibits a dual effect, depending on the number of permitted measurements. With a sufficient number of measurements, increasing the entanglement of training data consistently reduces the prediction error or decreases the required size of the training data to achieve the same prediction error. Conversely, when few measurements are allowed, employing highly entangled data could lead to an increased prediction error. The achieved results provide critical guidance for designing advanced QML protocols, especially for those tailored for execution on early-stage quantum computers with limited access to quantum resources.
Authors: Hien Dang, Tho Tran, Tan Nguyen, Nhat Ho
Abstract: The posterior collapse phenomenon in variational autoencoder (VAE), where the variational posterior distribution closely matches the prior distribution, can hinder the quality of the learned latent variables. As a consequence of posterior collapse, the latent variables extracted by the encoder in VAE preserve less information from the input data and thus fail to produce meaningful representations as input to the reconstruction process in the decoder. While this phenomenon has been an actively addressed topic related to VAE performance, the theory for posterior collapse remains underdeveloped, especially beyond the standard VAE. In this work, we advance the theoretical understanding of posterior collapse to two important and prevalent yet less studied classes of VAE: conditional VAE and hierarchical VAE. Specifically, via a non-trivial theoretical analysis of linear conditional VAE and hierarchical VAE with two levels of latent, we prove that the cause of posterior collapses in these models includes the correlation between the input and output of the conditional VAE and the effect of learnable encoder variance in the hierarchical VAE. We empirically validate our theoretical findings for linear conditional and hierarchical VAE and demonstrate that these results are also predictive for non-linear cases with extensive experiments.
Authors: Eloi Tanguy, R\'emi Flamary, Julie Delon
Abstract: The Sliced Wasserstein (SW) distance has become a popular alternative to the Wasserstein distance for comparing probability measures. Widespread applications include image processing, domain adaptation and generative modelling, where it is common to optimise some parameters in order to minimise SW, which serves as a loss function between discrete probability measures (since measures admitting densities are numerically unattainable). All these optimisation problems bear the same sub-problem, which is minimising the Sliced Wasserstein energy. In this paper we study the properties of $\mathcal{E}: Y \longmapsto \mathrm{SW}_2^2(\gamma_Y, \gamma_Z)$, i.e. the SW distance between two uniform discrete measures with the same amount of points as a function of the support $Y \in \mathbb{R}^{n \times d}$ of one of the measures. We investigate the regularity and optimisation properties of this energy, as well as its Monte-Carlo approximation $\mathcal{E}_p$ (estimating the expectation in SW using only $p$ samples) and show convergence results on the critical points of $\mathcal{E}_p$ to those of $\mathcal{E}$, as well as an almost-sure uniform convergence and a uniform Central Limit result on the process $\mathcal{E}_p(Y)$. Finally, we show that in a certain sense, Stochastic Gradient Descent methods minimising $\mathcal{E}$ and $\mathcal{E}_p$ converge towards (Clarke) critical points of these energies.
Authors: Haolin Zhou, Junwei Pan, Xinyi Zhou, Xihua Chen, Jie Jiang, Xiaofeng Gao, Guihai Chen
Abstract: User response prediction is essential in industrial recommendation systems, such as online display advertising. Among all the features in recommendation models, user behaviors are among the most critical. Many works have revealed that a user's behavior reflects her interest in the candidate item, owing to the semantic or temporal correlation between behaviors and the candidate. While the literature has individually examined each of these correlations, researchers have yet to analyze them in combination, that is, the semantic-temporal correlation. We empirically measure this correlation and observe intuitive yet robust patterns. We then examine several popular user interest models and find that, surprisingly, none of them learn such correlation well. To fill this gap, we propose a Temporal Interest Network (TIN) to capture the semantic-temporal correlation simultaneously between behaviors and the target. We achieve this by incorporating target-aware temporal encoding, in addition to semantic encoding, to represent behaviors and the target. Furthermore, we conduct explicit 4-way interaction by deploying target-aware attention and target-aware representation to capture both semantic and temporal correlation. We conduct comprehensive evaluations on two popular public datasets, and our proposed TIN outperforms the best-performing baselines by 0.43% and 0.29% on GAUC, respectively. During online A/B testing in Tencent's advertising platform, TIN achieves 1.65% cost lift and 1.93% GMV lift over the base model. It has been successfully deployed in production since October 2023, serving the WeChat Moments traffic. We have released our code at https://github.com/zhouxy1003/TIN.
Authors: Patrick Lancaster, Nicklas Hansen, Aravind Rajeswaran, Vikash Kumar
Abstract: Robotic systems that aspire to operate in uninstrumented real-world environments must perceive the world directly via onboard sensing. Vision-based learning systems aim to eliminate the need for environment instrumentation by building an implicit understanding of the world based on raw pixels, but navigating the contact-rich high-dimensional search space from solely sparse visual reward signals significantly exacerbates the challenge of exploration. The applicability of such systems is thus typically restricted to simulated or heavily engineered environments since agent exploration in the real-world without the guidance of explicit state estimation and dense rewards can lead to unsafe behavior and safety faults that are catastrophic. In this study, we isolate the root causes behind these limitations to develop a system, called MoDem-V2, capable of learning contact-rich manipulation directly in the uninstrumented real world. Building on the latest algorithmic advancements in model-based reinforcement learning (MBRL), demo-bootstrapping, and effective exploration, MoDem-V2 can acquire contact-rich dexterous manipulation skills directly in the real world. We identify key ingredients for leveraging demonstrations in model learning while respecting real-world safety considerations -- exploration centering, agency handover, and actor-critic ensembles. We empirically demonstrate the contribution of these ingredients in four complex visuo-motor manipulation problems in both simulation and the real world. To the best of our knowledge, our work presents the first successful system for demonstration-augmented visual MBRL trained directly in the real world. Visit https://sites.google.com/view/modem-v2 for videos and more details.
Authors: Vanessa Lopez-Marrero, Patrick R. Johnstone, Gilchan Park, Xihaier Luo
Abstract: One among several advantages of measure transport methods is that they allow for a unified framework for processing and analysis of data distributed according to a wide class of probability measures. Within this context, we present results from computational studies aimed at assessing the potential of measure transport techniques, specifically, the use of triangular transport maps, as part of a workflow intended to support research in the biological sciences. Scenarios characterized by the availability of limited amount of sample data, which are common in domains such as radiation biology, are of particular interest. We find that when estimating a distribution density function given limited amount of sample data, adaptive transport maps are advantageous. In particular, statistics gathered from computing series of adaptive transport maps, trained on a series of randomly chosen subsets of the set of available data samples, leads to uncovering information hidden in the data. As a result, in the radiation biology application considered here, this approach provides a tool for generating hypotheses about gene relationships and their dynamics under radiation exposure.
Authors: Bjarne Grimstad, Kristian L{\o}vland, Lars S. Imsland
Abstract: Recent literature has explored various ways to improve soft sensors by utilizing learning algorithms with transferability. A performance gain is generally attained when knowledge is transferred among strongly related soft sensor learning tasks. A particularly relevant case for transferability is when developing soft sensors of the same type for similar, but physically different processes or units. Then, the data from each unit presents a soft sensor learning task, and it is reasonable to expect strongly related tasks. Applying methods that exploit transferability in this setting leads to what we call multi-unit soft sensing. This paper formulates multi-unit soft sensing as a probabilistic, hierarchical model, which we implement using a deep neural network. The learning capabilities of the model are studied empirically on a large-scale industrial case by developing virtual flow meters (a type of soft sensor) for 80 petroleum wells. We investigate how the model generalizes with the number of wells/units. Interestingly, we demonstrate that multi-unit models learned from data from many wells, permit few-shot learning of virtual flow meters for new wells. Surprisingly, regarding the difficulty of the tasks, few-shot learning on 1-3 data points often leads to high performance on new wells.
Authors: Zhoubo Li, Ningyu Zhang, Yunzhi Yao, Mengru Wang, Xi Chen, Huajun Chen
Abstract: As the cost associated with fine-tuning Large Language Models (LLMs) continues to rise, recent research efforts have pivoted towards developing methodologies to edit implicit knowledge embedded within LLMs. Yet, there's still a dark cloud lingering overhead -- will knowledge editing trigger butterfly effect? since it is still unclear whether knowledge editing might introduce side effects that pose potential risks or not. This paper pioneers the investigation into the potential pitfalls associated with knowledge editing for LLMs. To achieve this, we introduce new benchmark datasets and propose innovative evaluation metrics. Our results underline two pivotal concerns: (1) Knowledge Conflict: Editing groups of facts that logically clash can magnify the inherent inconsistencies in LLMs-a facet neglected by previous methods. (2) Knowledge Distortion: Altering parameters with the aim of editing factual knowledge can irrevocably warp the innate knowledge structure of LLMs. Experimental results vividly demonstrate that knowledge editing might inadvertently cast a shadow of unintended consequences on LLMs, which warrant attention and efforts for future works. Code and data are available at https://github.com/zjunlp/PitfallsKnowledgeEditing.
Authors: Zhipeng Wang, Nanqing Dong, Jiahao Sun, William Knottenbelt, Yike Guo
Abstract: Federated learning (FL) is a machine learning paradigm, which enables multiple and decentralized clients to collaboratively train a model under the orchestration of a central aggregator. FL can be a scalable machine learning solution in big data scenarios. Traditional FL relies on the trust assumption of the central aggregator, which forms cohorts of clients honestly. However, a malicious aggregator, in reality, could abandon and replace the client's training models, or insert fake clients, to manipulate the final training results. In this work, we introduce zkFL, which leverages zero-knowledge proofs to tackle the issue of a malicious aggregator during the training model aggregation process. To guarantee the correct aggregation results, the aggregator provides a proof per round, demonstrating to the clients that the aggregator executes the intended behavior faithfully. To further reduce the verification cost of clients, we use blockchain to handle the proof in a zero-knowledge way, where miners (i.e., the participants validating and maintaining the blockchain data) can verify the proof without knowing the clients' local and aggregated models. The theoretical analysis and empirical results show that zkFL achieves better security and privacy than traditional FL, without modifying the underlying FL network structure or heavily compromising the training speed.
Authors: Stefanie Urchs, Veronika Thurner, Matthias A{\ss}enmacher, Christian Heumann, Stephanie Thiemichen
Abstract: With the introduction of ChatGPT, OpenAI made large language models (LLM) accessible to users with limited IT expertise. However, users with no background in natural language processing (NLP) might lack a proper understanding of LLMs. Thus the awareness of their inherent limitations, and therefore will take the systems' output at face value. In this paper, we systematically analyse prompts and the generated responses to identify possible problematic issues with a special focus on gender biases, which users need to be aware of when processing the system's output. We explore how ChatGPT reacts in English and German if prompted to answer from a female, male, or neutral perspective. In an in-depth investigation, we examine selected prompts and analyse to what extent responses differ if the system is prompted several times in an identical way. On this basis, we show that ChatGPT is indeed useful for helping non-IT users draft texts for their daily work. However, it is absolutely crucial to thoroughly check the system's responses for biases as well as for syntactic and grammatical mistakes.
Authors: Shijie Pan, Wenjie Huang
Abstract: A novel Follow-the-Perturbed-Leader type algorithm is proposed and analyzed for solving general long-term constrained optimization problems in online manner, where the objective and constraints are arbitrarily generated and not necessarily convex. In each period, random linear perturbation and strongly concave perturbation are incorporated in primal and dual directions, respectively, to the offline oracle, and a global minimax point is searched as the solution. Based on a proposed expected static cumulative regret, we derive the first sublinear $O(T^{8/9})$ regret complexity for this class of problems. The proposed algorithm is applied to tackle a long-term (extreme value) constrained river pollutant source identification problem, validate the theoretical results and exhibit superior performance compared to existing methods.
Authors: Yifan Zhang, Joe Kileel
Abstract: Covering numbers are a powerful tool used in the development of approximation algorithms, randomized dimension reduction methods, smoothed complexity analysis, and others. In this paper we prove upper bounds on the covering number of numerous sets in Euclidean space, namely real algebraic varieties, images of polynomial maps and semialgebraic sets in terms of the number of variables and degrees of the polynomials involved. The bounds remarkably improve the best known general bound by Yomdin-Comte, and our proof is much more straightforward. In particular, our result gives new bounds on the volume of the tubular neighborhood of the image of a polynomial map and a semialgebraic set, where results for varieties by Lotz and Basu-Lerario are not directly applicable. We illustrate the power of the result on three computational applications. Firstly, we derive a near-optimal bound on the covering number of low rank CP tensors, quantifying their approximation properties and filling in an important missing piece of theory for tensor dimension reduction and reconstruction. Secondly, we prove a bound on the required dimension for the randomized sketching of polynomial optimization problems, which controls how much computation can be saved through randomization without sacrificing solution quality. Finally, we deduce generalization error bounds for deep neural networks with rational or ReLU activation functions, improving or matching the best known results in the machine learning literature while helping to quantify the impact of architecture choice on generalization error.
Authors: Haolin Xiong, Sairisheek Muttukuru, Rishi Upadhyay, Pradyumna Chari, Achuta Kadambi
Abstract: The problem of novel view synthesis has grown significantly in popularity recently with the introduction of Neural Radiance Fields (NeRFs) and other implicit scene representation methods. A recent advance, 3D Gaussian Splatting (3DGS), leverages an explicit representation to achieve real-time rendering with high-quality results. However, 3DGS still requires an abundance of training views to generate a coherent scene representation. In few shot settings, similar to NeRF, 3DGS tends to overfit to training views, causing background collapse and excessive floaters, especially as the number of training views are reduced. We propose a method to enable training coherent 3DGS-based radiance fields of 360-degree scenes from sparse training views. We integrate depth priors with generative and explicit constraints to reduce background collapse, remove floaters, and enhance consistency from unseen viewpoints. Experiments show that our method outperforms base 3DGS by 6.4% in LPIPS and by 12.2% in PSNR, and NeRF-based methods by at least 17.6% in LPIPS on the MipNeRF-360 dataset with substantially less training and inference cost.
Authors: Rajeeva L. Karandikar, M. Vidyasagar
Abstract: In this paper, we study the convergence properties of the Stochastic Gradient Descent (SGD) method for finding a stationary point of a given objective function $J(\cdot)$. The objective function is not required to be convex. Rather, our results apply to a class of ``invex'' functions, which have the property that every stationary point is also a global minimizer. First, it is assumed that $J(\cdot)$ satisfies a property that is slightly weaker than the Kurdyka-Lojasiewicz (KL) condition, denoted here as (KL'). It is shown that the iterations $J({\boldsymbol \theta}_t)$ converge almost surely to the global minimum of $J(\cdot)$. Next, the hypothesis on $J(\cdot)$ is strengthened from (KL') to the Polyak-Lojasiewicz (PL) condition. With this stronger hypothesis, we derive estimates on the rate of convergence of $J({\boldsymbol \theta}_t)$ to its limit. Using these results, we show that for functions satisfying the PL property, the convergence rate of SGD is the same as the best-possible rate for convex functions. While some results along these lines have been published in the past, our contributions contain two distinct improvements. First, the assumptions on the stochastic gradient are more general than elsewhere, and second, our convergence is almost sure, and not in expectation. We also study SGD when only function evaluations are permitted. In this setting, we determine the ``optimal'' increments or the size of the perturbations. Using the same set of ideas, we establish the global convergence of the Stochastic Approximation (SA) algorithm under more general assumptions on the measurement error, compared to the existing literature. We also derive bounds on the rate of convergence of the SA algorithm under appropriate assumptions.
Authors: Nils Strodthoff, Juan Miguel Lopez Alcaraz, Wilhelm Haverkamp
Abstract: Current deep learning algorithms designed for automatic ECG analysis have exhibited notable accuracy. However, akin to traditional electrocardiography, they tend to be narrowly focused and typically address a singular diagnostic condition. In this exploratory study, we specifically investigate the capability of a single model to predict a diverse range of both cardiac and non-cardiac discharge diagnoses based on a sole ECG collected in the emergency department. We find that 253, 81 cardiac, and 172 non-cardiac, ICD codes can be reliably predicted in the sense of exceeding an AUROC score of 0.8 in a statistically significant manner. This underscores the model's proficiency in handling a wide array of cardiac and non-cardiac diagnostic scenarios which demonstrates potential as a screening tool for diverse medical encounters.
Authors: Justyna P. Zwolak, Jacob M. Taylor, Reed Andrews, Jared Benson, Garnett Bryant, Donovan Buterakos, Anasua Chatterjee, Sankar Das Sarma, Mark A. Eriksson, Eli\v{s}ka Greplov\'a, Michael J. Gullans, Fabian Hader, Tyler J. Kovach, Pranav S. Mundada, Mick Ramsey, Torbjoern Rasmussen, Brandon Severin, Anthony Sigillito, Brennan Undseth, Brian Weber
Abstract: Gate-defined quantum dots are a promising candidate system to realize scalable, coupled qubit systems and serve as a fundamental building block for quantum computers. However, present-day quantum dot devices suffer from imperfections that must be accounted for, which hinders the characterization, tuning, and operation process. Moreover, with an increasing number of quantum dot qubits, the relevant parameter space grows sufficiently to make heuristic control infeasible. Thus, it is imperative that reliable and scalable autonomous tuning approaches are developed. In this report, we outline current challenges in automating quantum dot device tuning and operation with a particular focus on datasets, benchmarking, and standardization. We also present ideas put forward by the quantum dot community on how to overcome them.
Authors: Taha Emre, Arunava Chakravarty, Antoine Rivail, Dmitrii Lachinov, Oliver Leingang, Sophie Riedl, Julia Mai, Hendrik P. N. Scholl, Sobha Sivaprasad, Daniel Rueckert, Andrew Lotery, Ursula Schmidt-Erfurth, Hrvoje Bogunovi\'c
Abstract: Self-supervised learning (SSL) has emerged as a powerful technique for improving the efficiency and effectiveness of deep learning models. Contrastive methods are a prominent family of SSL that extract similar representations of two augmented views of an image while pushing away others in the representation space as negatives. However, the state-of-the-art contrastive methods require large batch sizes and augmentations designed for natural images that are impractical for 3D medical images. To address these limitations, we propose a new longitudinal SSL method, 3DTINC, based on non-contrastive learning. It is designed to learn perturbation-invariant features for 3D optical coherence tomography (OCT) volumes, using augmentations specifically designed for OCT. We introduce a new non-contrastive similarity loss term that learns temporal information implicitly from intra-patient scans acquired at different times. Our experiments show that this temporal information is crucial for predicting progression of retinal diseases, such as age-related macular degeneration (AMD). After pretraining with 3DTINC, we evaluated the learned representations and the prognostic models on two large-scale longitudinal datasets of retinal OCTs where we predict the conversion to wet-AMD within a six months interval. Our results demonstrate that each component of our contributions is crucial for learning meaningful representations useful in predicting disease progression from longitudinal volumetric scans.
Authors: Taeyoung Kim, Myungjoo Kang
Abstract: Traditionally, classical numerical schemes have been employed to solve partial differential equations (PDEs) using computational methods. Recently, neural network-based methods have emerged. Despite these advancements, neural network-based methods, such as physics-informed neural networks (PINNs) and neural operators, exhibit deficiencies in robustness and generalization. To address these issues, numerous studies have integrated classical numerical frameworks with machine learning techniques, incorporating neural networks into parts of traditional numerical methods. In this study, we focus on hyperbolic conservation laws by replacing traditional numerical fluxes with neural operators. To this end, we developed loss functions inspired by established numerical schemes related to conservation laws and approximated numerical fluxes using Fourier neural operators (FNOs). Our experiments demonstrated that our approach combines the strengths of both traditional numerical schemes and FNOs, outperforming standard FNO methods in several respects. For instance, we demonstrate that our method is robust, has resolution invariance, and is feasible as a data-driven method. In particular, our method can make continuous predictions over time and exhibits superior generalization capabilities with out-of-distribution (OOD) samples, which are challenges that existing neural operator methods encounter.
Authors: David L Cole, Victor M Zavala
Abstract: Datasets encountered in scientific and engineering applications appear in complex formats (e.g., images, multivariate time series, molecules, video, text strings, networks). Graph theory provides a unifying framework to model such datasets and enables the use of powerful tools that can help analyze, visualize, and extract value from data. In this work, we present PlasmoData.jl, an open-source, Julia framework that uses concepts of graph theory to facilitate the modeling and analysis of complex datasets. The core of our framework is a general data modeling abstraction, which we call a DataGraph. We show how the abstraction and software implementation can be used to represent diverse data objects as graphs and to enable the use of tools from topology, graph theory, and machine learning (e.g., graph neural networks) to conduct a variety of tasks. We illustrate the versatility of the framework by using real datasets: i) an image classification problem using topological data analysis to extract features from the graph model to train machine learning models; ii) a disease outbreak problem where we model multivariate time series as graphs to detect abnormal events; and iii) a technology pathway analysis problem where we highlight how we can use graphs to navigate connectivity. Our discussion also highlights how PlasmoData.jl leverages native Julia capabilities to enable compact syntax, scalable computations, and interfaces with diverse packages.
Authors: Andrei Tomut, Saeed S. Jahromi, Abhijoy Sarkar, Uygar Kurt, Sukhbinder Singh, Faysal Ishtiaq, Cesar Mu\~noz, Prabdeep Singh Bajaj, Ali Elborady, Gianni del Bimbo, Mehrazin Alizadeh, David Montero, Pablo Martin-Ramiro, Muhammad Ibrahim, Oussama Tahiri Alaoui, John Malcolm, Samuel Mugel, Roman Orus
Abstract: Large Language Models (LLMs) such as ChatGPT and LlaMA are advancing rapidly in generative Artificial Intelligence (AI), but their immense size poses significant challenges, such as huge training and inference costs, substantial energy demands, and limitations for on-site deployment. Traditional compression methods such as pruning, distillation, and low-rank approximation focus on reducing the effective number of neurons in the network, while quantization focuses on reducing the numerical precision of individual weights to reduce the model size while keeping the number of neurons fixed. While these compression methods have been relatively successful in practice, there is no compelling reason to believe that truncating the number of neurons is an optimal strategy. In this context, this paper introduces CompactifAI, an innovative LLM compression approach using quantum-inspired Tensor Networks that focuses on the model's correlation space instead, allowing for a more controlled, refined and interpretable model compression. Our method is versatile and can be implemented with - or on top of - other compression techniques. As a benchmark, we demonstrate that a combination of CompactifAI with quantization allows to reduce a 93% the memory size of LlaMA 7B, reducing also 70% the number of parameters, accelerating 50% the training and 25% the inference times of the model, and just with a small accuracy drop of 2% - 3%, going much beyond of what is achievable today by other compression techniques. Our methods also allow to perform a refined layer sensitivity profiling, showing that deeper layers tend to be more suitable for tensor network compression, which is compatible with recent observations on the ineffectiveness of those layers for LLM performance. Our results imply that standard LLMs are, in fact, heavily overparametrized, and do not need to be large at all.
Authors: Le Chen, Arijit Bhattacharjee, Nesreen Ahmed, Niranjan Hasabnis, Gal Oren, Vy Vo, Ali Jannesari
Abstract: Large language models (LLMs)such as ChatGPT have significantly advanced the field of Natural Language Processing (NLP). This trend led to the development of code-based large language models such as StarCoder, WizardCoder, and CodeLlama, which are trained extensively on vast repositories of code and programming languages. While the generic abilities of these code LLMs are useful for many programmers in tasks like code generation, the area of high-performance computing (HPC) has a narrower set of requirements that make a smaller and more domain-specific model a smarter choice. This paper presents OMPGPT, a novel domain-specific model meticulously designed to harness the inherent strengths of language models for OpenMP pragma generation. Furthermore, we leverage prompt engineering techniques from the NLP domain to create Chain-of-OMP, an innovative strategy designed to enhance OMPGPT's effectiveness. Our extensive evaluations demonstrate that OMPGPT outperforms existing large language models specialized in OpenMP tasks and maintains a notably smaller size, aligning it more closely with the typical hardware constraints of HPC environments. We consider our contribution as a pivotal bridge, connecting the advantage of language models with the specific demands of HPC tasks.
Authors: Yuzhu Wang, Lechao Cheng, Chaowei Fang, Dingwen Zhang, Manni Duan, Meng Wang
Abstract: Visual prompt tuning (VPT) is a promising solution incorporating learnable prompt tokens to customize pre-trained models for downstream tasks. However, VPT and its variants often encounter challenges like prompt initialization, prompt length, and subpar performance in self-supervised pretraining, hindering successful contextual adaptation. This study commences by exploring the correlation evolvement between prompts and patch tokens during proficient training. Inspired by the observation that the prompt tokens tend to share high mutual information with patch tokens, we propose initializing prompts with downstream token prototypes. The strategic initialization, a stand-in for the previous initialization, substantially improves performance in fine-tuning. To refine further, we optimize token construction with a streamlined pipeline that maintains excellent performance with almost no increase in computational expenses compared to VPT. Exhaustive experiments show our proposed approach outperforms existing methods by a remarkable margin. For instance, it surpasses full fine-tuning in 19 out of 24 tasks, using less than 0.4% of learnable parameters on the FGVC and VTAB-1K benchmarks. Notably, our method significantly advances the adaptation for self-supervised pretraining, achieving impressive task performance gains of at least 10% to 30%. Besides, the experimental results demonstrate the proposed SPT is robust to prompt lengths and scales well with model capacity and training data size. We finally provide an insightful exploration into the amount of target data facilitating the adaptation of pre-trained models to downstream tasks. The code is available at https://github.com/WangYZ1608/Self-Prompt-Tuning.
Authors: Zach Evans, CJ Carr, Josiah Taylor, Scott H. Hawley, Jordi Pons
Abstract: Generating long-form 44.1kHz stereo audio from text prompts can be computationally demanding. Further, most previous works do not tackle that music and sound effects naturally vary in their duration. Our research focuses on the efficient generation of long-form, variable-length stereo music and sounds at 44.1kHz using text prompts with a generative model. Stable Audio is based on latent diffusion, with its latent defined by a fully-convolutional variational autoencoder. It is conditioned on text prompts as well as timing embeddings, allowing for fine control over both the content and length of the generated music and sounds. Stable Audio is capable of rendering stereo signals of up to 95 sec at 44.1kHz in 8 sec on an A100 GPU. Despite its compute efficiency and fast inference, it is one of the best in two public text-to-music and -audio benchmarks and, differently from state-of-the-art models, can generate music with structure and stereo sounds.
Authors: Yulu Qin, Wentao Wang, Brenden M. Lake
Abstract: Language models (LMs) have demonstrated remarkable proficiency in generating linguistically coherent text, sparking discussions about their relevance to understanding human language learnability. However, a significant gap exists between the training data for these models and the linguistic input a child receives. LMs are typically trained on data that is orders of magnitude larger and fundamentally different from child-directed speech (Warstadt and Bowman, 2022; Warstadt et al., 2023; Frank, 2023a). Addressing this discrepancy, our research focuses on training LMs on subsets of a single child's linguistic input. Previously, Wang, Vong, Kim, and Lake (2023) found that LMs trained in this setting can form syntactic and semantic word clusters and develop sensitivity to certain linguistic phenomena, but they only considered LSTMs and simpler neural networks trained from just one single-child dataset. Here, to examine the robustness of learnability from single-child input, we systematically train six different model architectures on five datasets (3 single-child and 2 baselines). We find that the models trained on single-child datasets showed consistent results that matched with previous work, underscoring the robustness of forming meaningful syntactic and semantic representations from a subset of a child's linguistic input.
Authors: Jacob Russin, Ellie Pavlick, Michael J. Frank
Abstract: Human learning is sensitive to rule-like structure and the curriculum of examples used for training. In tasks governed by succinct rules, learning is more robust when related examples are blocked across trials, but in the absence of such rules, interleaving is more effective. To date, no neural model has simultaneously captured these seemingly contradictory effects. Here we show that this same tradeoff spontaneously emerges with ``in-context learning'' (ICL) both in neural networks trained with metalearning and in large language models (LLMs). ICL is the ability to learn new tasks ``in context'' -- without weight changes -- via an inner-loop algorithm implemented in activation dynamics. Experiments with pretrained LLMs and metalearning transformers show that ICL exhibits the blocking advantage demonstrated in humans on a task involving rule-like structure, and conversely, that concurrent in-weight learning reproduces the interleaving advantage observed in humans on tasks lacking such structure.
Authors: Himanshu Sharma, Luk\'a\v{s} Nov\'ak, Michael D. Shields
Abstract: We present a novel physics-constrained polynomial chaos expansion as a surrogate modeling method capable of performing both scientific machine learning (SciML) and uncertainty quantification (UQ) tasks. The proposed method possesses a unique capability: it seamlessly integrates SciML into UQ and vice versa, which allows it to quantify the uncertainties in SciML tasks effectively and leverage SciML for improved uncertainty assessment during UQ-related tasks. The proposed surrogate model can effectively incorporate a variety of physical constraints, such as governing partial differential equations (PDEs) with associated initial and boundary conditions constraints, inequality-type constraints (e.g., monotonicity, convexity, non-negativity, among others), and additional a priori information in the training process to supplement limited data. This ensures physically realistic predictions and significantly reduces the need for expensive computational model evaluations to train the surrogate model. Furthermore, the proposed method has a built-in uncertainty quantification (UQ) feature to efficiently estimate output uncertainties. To demonstrate the effectiveness of the proposed method, we apply it to a diverse set of problems, including linear/non-linear PDEs with deterministic and stochastic parameters, data-driven surrogate modeling of a complex physical system, and UQ of a stochastic system with parameters modeled as random fields.
Authors: Sudipta Paul, Bulent Yener, Amanda W. Lund
Abstract: Graph-based learning approaches, due to their ability to encode tissue/organ structure information, are increasingly favored for grading colorectal cancer histology images. Recent graph-based techniques involve dividing whole slide images (WSIs) into smaller or medium-sized patches, and then building graphs on each patch for direct use in training. This method, however, fails to capture the tissue structure information present in an entire WSI and relies on training from a significantly large dataset of image patches. In this paper, we propose a novel cell-to-patch graph convolutional network (C2P-GCN), which is a two-stage graph formation-based approach. In the first stage, it forms a patch-level graph based on the cell organization on each patch of a WSI. In the second stage, it forms an image-level graph based on a similarity measure between patches of a WSI considering each patch as a node of a graph. This graph representation is then fed into a multi-layer GCN-based classification network. Our approach, through its dual-phase graph construction, effectively gathers local structural details from individual patches and establishes a meaningful connection among all patches across a WSI. As C2P-GCN integrates the structural data of an entire WSI into a single graph, it allows our model to work with significantly fewer training data compared to the latest models for colorectal cancer. Experimental validation of C2P-GCN on two distinct colorectal cancer datasets demonstrates the effectiveness of our method.
Authors: Pratyush Kumar Singh, Kathryn A. Farrell-Maupin, Danial Faghihi
Abstract: The widespread integration of deep neural networks in developing data-driven surrogate models for high-fidelity simulations of complex physical systems highlights the critical necessity for robust uncertainty quantification techniques and credibility assessment methodologies, ensuring the reliable deployment of surrogate models in consequential decision-making. This study presents the Occam Plausibility Algorithm for surrogate models (OPAL-surrogate), providing a systematic framework to uncover predictive neural network-based surrogate models within the large space of potential models, including various neural network classes and choices of architecture and hyperparameters. The framework is grounded in hierarchical Bayesian inferences and employs model validation tests to evaluate the credibility and prediction reliability of the surrogate models under uncertainty. Leveraging these principles, OPAL-surrogate introduces a systematic and efficient strategy for balancing the trade-off between model complexity, accuracy, and prediction uncertainty. The effectiveness of OPAL-surrogate is demonstrated through two modeling problems, including the deformation of porous materials for building insulation and turbulent combustion flow for the ablation of solid fuels within hybrid rocket motors.
Authors: Till Hofmann, Hector Geffner
Abstract: General policies represent reactive strategies for solving large families of planning problems like the infinite collection of solvable instances from a given domain. Methods for learning such policies from a collection of small training instances have been developed successfully for classical domains. In this work, we extend the formulations and the resulting combinatorial methods for learning general policies over fully observable, non-deterministic (FOND) domains. We also evaluate the resulting approach experimentally over a number of benchmark domains in FOND planning, present the general policies that result in some of these domains, and prove their correctness. The method for learning general policies for FOND planning can actually be seen as an alternative FOND planning method that searches for solutions, not in the given state space but in an abstract space defined by features that must be learned as well.
Authors: Anton Sch\"afer, Shauli Ravfogel, Thomas Hofmann, Tiago Pimentel, Imanol Schlag
Abstract: Multilinguality is crucial for extending recent advancements in language modelling to diverse linguistic communities. To maintain high performance while representing multiple languages, multilingual models ideally align representations, allowing what is learned in one language to generalise to others. Prior research has emphasised the importance of parallel data and shared vocabulary elements as key factors for such alignment. In this study, we investigate an unintuitive novel driver of cross-lingual generalisation: language imbalance. In controlled experiments on perfectly equivalent cloned languages, we observe that the existence of a predominant language during training boosts the performance of less frequent languages and leads to stronger alignment of model representations across languages. Furthermore, we find that this trend is amplified with scale: with large enough models or long enough training, we observe that bilingual training data with a 90/10 language split yields better performance on both languages than a balanced 50/50 split. Building on these insights, we design training schemes that can improve performance in all cloned languages, even without altering the training data. As we extend our analysis to real languages, we find that infrequent languages still benefit from frequent ones, yet whether language imbalance causes cross-lingual generalisation there is not conclusive.
Authors: Hongjia Ou, Andreas Themelis
Abstract: Leveraging on recent advancements on adaptive methods for convex minimization problems, this paper provides a linesearch-free proximal gradient framework for globalizing the convergence of popular stepsize choices such as Barzilai-Borwein and one-dimensional Anderson acceleration. This framework can cope with problems in which the gradient of the differentiable function is merely locally H\"older continuous. Our analysis not only encompasses but also refines existing results upon which it builds. The theory is corroborated by numerical evidence that showcases the synergetic interplay between fast stepsize selections and adaptive methods.
Authors: Hanxue Gu, Haoyu Dong, Jichen Yang, Maciej A. Mazurowski
Abstract: Automated segmentation is a fundamental medical image analysis task, which enjoys significant advances due to the advent of deep learning. While foundation models have been useful in natural language processing and some vision tasks for some time, the foundation model developed with image segmentation in mind - Segment Anything Model (SAM) - has been developed only recently and has shown similar promise. However, there are still no systematic analyses or "best-practice" guidelines for optimal fine-tuning of SAM for medical image segmentation. This work summarizes existing fine-tuning strategies with various backbone architectures, model components, and fine-tuning algorithms across 18 combinations, and evaluates them on 17 datasets covering all common radiology modalities. Our study reveals that (1) fine-tuning SAM leads to slightly better performance than previous segmentation methods, (2) fine-tuning strategies that use parameter-efficient learning in both the encoder and decoder are superior to other strategies, (3) network architecture has a small impact on final performance, (4) further training SAM with self-supervised learning can improve final model performance. We also demonstrate the ineffectiveness of some methods popular in the literature and further expand our experiments into few-shot and prompt-based settings. Lastly, we released our code and MRI-specific fine-tuned weights, which consistently obtained superior performance over the original SAM, at https://github.com/mazurowski-lab/finetune-SAM.
Authors: Mohsen Hami, Mahdi JameBozorg
Abstract: Images captured from the real world are often affected by different types of noise, which can significantly impact the performance of Computer Vision systems and the quality of visual data. This study presents a novel approach for defect detection in casting product noisy images, specifically focusing on submersible pump impellers. The methodology involves utilizing deep learning models such as VGG16, InceptionV3, and other models in both the spatial and frequency domains to identify noise types and defect status. The research process begins with preprocessing images, followed by applying denoising techniques tailored to specific noise categories. The goal is to enhance the accuracy and robustness of defect detection by integrating noise detection and denoising into the classification pipeline. The study achieved remarkable results using VGG16 for noise type classification in the frequency domain, achieving an accuracy of over 99%. Removal of salt and pepper noise resulted in an average SSIM of 87.9, while Gaussian noise removal had an average SSIM of 64.0, and periodic noise removal yielded an average SSIM of 81.6. This comprehensive approach showcases the effectiveness of the deep AutoEncoder model and median filter, for denoising strategies in real-world industrial applications. Finally, our study reports significant improvements in binary classification accuracy for defect detection compared to previous methods. For the VGG16 classifier, accuracy increased from 94.6% to 97.0%, demonstrating the effectiveness of the proposed noise detection and denoising approach. Similarly, for the InceptionV3 classifier, accuracy improved from 84.7% to 90.0%, further validating the benefits of integrating noise analysis into the classification pipeline.
Authors: Azad Singh, Vandan Gorade, Deepak Mishra
Abstract: Self-supervised learning (SSL) has emerged as a promising technique for medical image analysis due to its ability to learn without annotations. However, despite the promising potential, conventional SSL methods encounter limitations, including challenges in achieving semantic alignment and capturing subtle details. This leads to suboptimal representations, which fail to accurately capture the underlying anatomical structures and pathological details. In response to these constraints, we introduce a novel SSL framework OPTiML, employing optimal transport (OT), to capture the dense semantic invariance and fine-grained details, thereby enhancing the overall effectiveness of SSL in medical image representation learning. The core idea is to integrate OT with a cross-viewpoint semantics infusion module (CV-SIM), which effectively captures complex, fine-grained details inherent in medical images across different viewpoints. In addition to the CV-SIM module, OPTiML imposes the variance and covariance regularizations within OT framework to force the model focus on clinically relevant information while discarding less informative features. Through these, the proposed framework demonstrates its capacity to learn semantically rich representations that can be applied to various medical imaging tasks. To validate its effectiveness, we conduct experimental studies on three publicly available datasets from chest X-ray modality. Our empirical results reveal OPTiML's superiority over state-of-the-art methods across all evaluated tasks.
Authors: Takaya Kawakatsu
Abstract: Extracting table contents from documents such as scientific papers and financial reports and converting them into a format that can be processed by large language models is an important task in knowledge information processing. End-to-end approaches, which recognize not only table structure but also cell contents, achieved performance comparable to state-of-the-art models using external character recognition systems, and have potential for further improvements. In addition, these models can now recognize long tables with hundreds of cells by introducing local attention. However, the models recognize table structure in one direction from the header to the footer, and cell content recognition is performed independently for each cell, so there is no opportunity to retrieve useful information from the neighbor cells. In this paper, we propose a multi-cell content decoder and bidirectional mutual learning mechanism to improve the end-to-end approach. The effectiveness is demonstrated on two large datasets, and the experimental results show comparable performance to state-of-the-art models, even for long tables with large numbers of cells.
Authors: Jiaming He, Wenbo Jiang, Guanyu Hou, Wenshu Fan, Rui Zhang, Hongwei Li
Abstract: Mainstream poisoning attacks on large language models (LLMs) typically set a fixed trigger in the input instance and specific responses for triggered queries. However, the fixed trigger setting (e.g., unusual words) may be easily detected by human detection, limiting the effectiveness and practicality in real-world scenarios. To enhance the stealthiness of the trigger, we present a poisoning attack against LLMs that is triggered by a generation/output condition-token limitation, which is a commonly adopted strategy by users for reducing costs. The poisoned model performs normally for output without token limitation, while becomes harmful for output with limited tokens. To achieve this objective, we introduce BrieFool, an efficient attack framework. It leverages the characteristics of generation limitation by efficient instruction sampling and poisoning data generation, thereby influencing the behavior of LLMs under target conditions. Our experiments demonstrate that BrieFool is effective across safety domains and knowledge domains. For instance, with only 20 generated poisoning examples against GPT-3.5-turbo, BrieFool achieves a 100% Attack Success Rate (ASR) and a 9.28/10 average Harmfulness Score (HS) under token limitation conditions while maintaining the benign performance.
Authors: Yoichi Chikahara, Kansei Ushiyama
Abstract: There is a growing interest in estimating heterogeneous treatment effects across individuals using their high-dimensional feature attributes. Achieving high performance in such high-dimensional heterogeneous treatment effect estimation is challenging because in this setup, it is usual that some features induce sample selection bias while others do not but are predictive of potential outcomes. To avoid losing such predictive feature information, existing methods learn separate feature representations using inverse probability weighting (IPW). However, due to their numerically unstable IPW weights, these methods suffer from estimation bias under a finite sample setup. To develop a numerically robust estimator by weighted representation learning, we propose a differentiable Pareto-smoothed weighting framework that replaces extreme weight values in an end-to-end fashion. Our experimental results show that by effectively correcting the weight values, our proposed method outperforms the existing ones, including traditional weighting schemes.
Authors: Cheol-Hui Lee, Hakseung Kim, Hyun-jee Han, Min-Kyung Jung, Byung C. Yoon, Dong-Joo Kim
Abstract: The classification of sleep stages is a pivotal aspect of diagnosing sleep disorders and evaluating sleep quality. However, the conventional manual scoring process, conducted by clinicians, is time-consuming and prone to human bias. Recent advancements in deep learning have substantially propelled the automation of sleep stage classification. Nevertheless, challenges persist, including the need for large datasets with labels and the inherent biases in human-generated annotations. This paper introduces NeuroNet, a self-supervised learning (SSL) framework designed to effectively harness unlabeled single-channel sleep electroencephalogram (EEG) signals by integrating contrastive learning tasks and masked prediction tasks. NeuroNet demonstrates superior performance over existing SSL methodologies through extensive experimentation conducted across three polysomnography (PSG) datasets. Additionally, this study proposes a Mamba-based temporal context module to capture the relationships among diverse EEG epochs. Combining NeuroNet with the Mamba-based temporal context module has demonstrated the capability to achieve, or even surpass, the performance of the latest supervised learning methodologies, even with a limited amount of labeled data. This study is expected to establish a new benchmark in sleep stage classification, promising to guide future research and applications in the field of sleep analysis.
Authors: Alexis Guichemerre, Soufiane Belharbi, Tsiry Mayet, Shakeeb Murtaza, Pourya Shamsolmoali, Luke McCaffrey, Eric Granger
Abstract: Given the emergence of deep learning, digital pathology has gained popularity for cancer diagnosis based on histology images. Deep weakly supervised object localization (WSOL) models can be trained to classify histology images according to cancer grade and identify regions of interest (ROIs) for interpretation, using inexpensive global image-class annotations. A WSOL model initially trained on some labeled source image data can be adapted using unlabeled target data in cases of significant domain shifts caused by variations in staining, scanners, and cancer type. In this paper, we focus on source-free (unsupervised) domain adaptation (SFDA), a challenging problem where a pre-trained source model is adapted to a new target domain without using any source domain data for privacy and efficiency reasons. SFDA of WSOL models raises several challenges in histology, most notably because they are not intended to adapt for both classification and localization tasks. In this paper, 4 state-of-the-art SFDA methods, each one representative of a main SFDA family, are compared for WSOL in terms of classification and localization accuracy. They are the SFDA-Distribution Estimation, Source HypOthesis Transfer, Cross-Domain Contrastive Learning, and Adaptively Domain Statistics Alignment. Experimental results on the challenging Glas (smaller, breast cancer) and Camelyon16 (larger, colon cancer) histology datasets indicate that these SFDA methods typically perform poorly for localization after adaptation when optimized for classification.
Authors: Vasu Sharma, Karthik Padthe, Newsha Ardalani, Kushal Tirumala, Russell Howes, Hu Xu, Po-Yao Huang, Shang-Wen Li, Armen Aghajanyan, Gargi Ghosh, Luke Zettlemoyer
Abstract: In recent times training Language Models (LMs) have relied on computationally heavy training over massive datasets which makes this training process extremely laborious. In this paper we propose a novel method for numerically evaluating text quality in large unlabelled NLP datasets in a model agnostic manner to assign the text instances a "quality score". By proposing the text quality metric, the paper establishes a framework to identify and eliminate low-quality text instances, leading to improved training efficiency for LM models. Experimental results over multiple models and datasets demonstrate the efficacy of this approach, showcasing substantial gains in training effectiveness and highlighting the potential for resource-efficient LM training. For example, we observe an absolute accuracy improvement of 0.9% averaged over 14 downstream evaluation tasks for multiple LM models while using 40% lesser data and training 42% faster when training on the OpenWebText dataset and 0.8% average absolute accuracy improvement while using 20% lesser data and training 21% faster on the Wikipedia dataset.
Authors: Guanyiman Fu, Fengchao Xiong, Jianfeng Lu, Jun Zhou, Yuntao Qian
Abstract: Denoising hyperspectral images (HSIs) is a crucial preprocessing procedure due to the noise originating from intra-imaging mechanisms and environmental factors. Utilizing domain-specific knowledge of HSIs, such as spectral correlation, spatial self-similarity, and spatial-spectral correlation, is essential for deep learning-based denoising. Existing methods are often constrained by running time, space complexity, and computational complexity, employing strategies that explore these priors separately. While these strategies can avoid some redundant information, they inevitably overlook broader and more underlying long-range spatial-spectral information that positively impacts image restoration. This paper proposes a Spatial-Spectral Selective State Space Model-based U-shaped network, termed Spatial-Spectral U-Mamba (SSUMamba), for hyperspectral image denoising. We can obtain complete global spatial-spectral correlation within a module thanks to the linear space complexity in State Space Model (SSM) computations. We introduce a Spatial-Spectral Alternating Scan (SSAS) strategy for HSIs, which helps model the information flow in multiple directions in 3-D HSIs. Experimental results demonstrate that our method outperforms compared methods. The source code will be available at https://github.com/lronkitty/SSUMamba.
Authors: Xiaoyan Lei, Wenlong Zhang, Weifeng Cao
Abstract: Efficient Image Super-Resolution (SR) aims to accelerate SR network inference by minimizing computational complexity and network parameters while preserving performance. Existing state-of-the-art Efficient Image Super-Resolution methods are based on convolutional neural networks. Few attempts have been made with Mamba to harness its long-range modeling capability and efficient computational complexity, which have shown impressive performance on high-level vision tasks. In this paper, we propose DVMSR, a novel lightweight Image SR network that incorporates Vision Mamba and a distillation strategy. The network of DVMSR consists of three modules: feature extraction convolution, multiple stacked Residual State Space Blocks (RSSBs), and a reconstruction module. Specifically, the deep feature extraction module is composed of several residual state space blocks (RSSB), each of which has several Vision Mamba Moudles(ViMM) together with a residual connection. To achieve efficiency improvement while maintaining comparable performance, we employ a distillation strategy to the vision Mamba network for superior performance. Specifically, we leverage the rich representation knowledge of teacher network as additional supervision for the output of lightweight student networks. Extensive experiments have demonstrated that our proposed DVMSR can outperform state-of-the-art efficient SR methods in terms of model parameters while maintaining the performance of both PSNR and SSIM. The source code is available at https://github.com/nathan66666/DVMSR.git
Authors: Zhiwei Bao, Liu Liao-Liao, Zhiyu Wu, Yifan Zhou, Dan Fan, Michal Aibin, Yvonne Coady, Andrew Brownsword
Abstract: The exponential growth of artificial intelligence (AI) and machine learning (ML) applications has necessitated the development of efficient storage solutions for vector and tensor data. This paper presents a novel approach for tensor storage in a Lakehouse architecture using Delta Lake. By adopting the multidimensional array storage strategy from array databases and sparse encoding methods to Delta Lake tables, experiments show that this approach has demonstrated notable improvements in both space and time efficiencies when compared to traditional serialization of tensors. These results provide valuable insights for the development and implementation of optimized vector and tensor storage solutions in data-intensive applications, contributing to the evolution of efficient data management practices in AI and ML domains in cloud-native environments
Authors: Jinglue Xu, Jialong Li, Zhen Liu, Nagar Anthel Venkatesh Suryanarayanan, Guoyuan Zhou, Jia Guo, Hitoshi Iba, Kenji Tei
Abstract: Recently, program synthesis driven by large language models (LLMs) has become increasingly popular. However, program synthesis for machine learning (ML) tasks still poses significant challenges. This paper explores a novel form of program synthesis, targeting ML programs, by combining LLMs and automated machine learning (autoML). Specifically, our goal is to fully automate the generation and optimization of the code of the entire ML workflow, from data preparation to modeling and post-processing, utilizing only textual descriptions of the ML tasks. To manage the length and diversity of ML programs, we propose to break each ML program into smaller, manageable parts. Each part is generated separately by the LLM, with careful consideration of their compatibilities. To ensure compatibilities, we design a testing technique for ML programs. Unlike traditional program synthesis, which typically relies on binary evaluations (i.e., correct or incorrect), evaluating ML programs necessitates more than just binary judgments. Therefore, we further assess ML programs numerically and select the optimal programs from a range of candidates using AutoML methods. In experiments across various ML tasks, our method outperforms existing methods in 10 out of 12 tasks for generating ML programs. In addition, autoML significantly improves the performance of the generated ML programs. In experiments, given the textual task description, our method, Text-to-ML, generates the complete and optimized ML program in a fully autonomous process.
Authors: Charles Gaydon, Michel Daab, Floryne Roche
Abstract: Mapping agencies are increasingly adopting Aerial Lidar Scanning (ALS) as a new tool to monitor territory and support public policies. Processing ALS data at scale requires efficient point classification methods that perform well over highly diverse territories. To evaluate them, researchers need large annotated Lidar datasets, however, current Lidar benchmark datasets have restricted scope and often cover a single urban area. To bridge this data gap, we present the FRench ALS Clouds from TArgeted Landscapes (FRACTAL) dataset: an ultra-large-scale aerial Lidar dataset made of 100,000 dense point clouds with high-quality labels for 7 semantic classes and spanning 250 km$^2$. FRACTAL is built upon France's nationwide open Lidar data. It achieves spatial and semantic diversity via a sampling scheme that explicitly concentrates rare classes and challenging landscapes from five French regions. It should support the development of 3D deep learning approaches for large-scale land monitoring. We describe the nature of the source data, the sampling workflow, the content of the resulting dataset, and provide an initial evaluation of segmentation performance using a performant 3D neural architecture.
Authors: Yihan Mei, Xinyu Wang, Dell Zhang, Xiaoling Wang
Abstract: In today's interconnected world, achieving reliable out-of-distribution (OOD) detection poses a significant challenge for machine learning models. While numerous studies have introduced improved approaches for multi-class OOD detection tasks, the investigation into multi-label OOD detection tasks has been notably limited. We introduce Spectral Normalized Joint Energy (SNoJoE), a method that consolidates label-specific information across multiple labels through the theoretically justified concept of an energy-based function. Throughout the training process, we employ spectral normalization to manage the model's feature space, thereby enhancing model efficacy and generalization, in addition to bolstering robustness. Our findings indicate that the application of spectral normalization to joint energy scores notably amplifies the model's capability for OOD detection. We perform OOD detection experiments utilizing PASCAL-VOC as the in-distribution dataset and ImageNet-22K or Texture as the out-of-distribution datasets. Our experimental results reveal that, in comparison to prior top performances, SNoJoE achieves 11% and 54% relative reductions in FPR95 on the respective OOD datasets, thereby defining the new state of the art in this field of study.
Authors: Aimira Baitieva, David Hurych, Victor Besnier, Olivier Bernard
Abstract: Automating visual inspection in industrial production lines is essential for increasing product quality across various industries. Anomaly detection (AD) methods serve as robust tools for this purpose. However, existing public datasets primarily consist of images without anomalies, limiting the practical application of AD methods in production settings. To address this challenge, we present (1) the Valeo Anomaly Dataset (VAD), a novel real-world industrial dataset comprising 5000 images, including 2000 instances of challenging real defects across more than 20 subclasses. Acknowledging that traditional AD methods struggle with this dataset, we introduce (2) Segmentation-based Anomaly Detector (SegAD). First, SegAD leverages anomaly maps as well as segmentation maps to compute local statistics. Next, SegAD uses these statistics and an optional supervised classifier score as input features for a Boosted Random Forest (BRF) classifier, yielding the final anomaly score. Our SegAD achieves state-of-the-art performance on both VAD (+2.1% AUROC) and the VisA dataset (+0.4% AUROC). The code and the models are publicly available.
Authors: Sahel Vahedi Noori, Bin Hu, Geir Dullerud, Peter Seiler
Abstract: This paper presents sufficient conditions for the stability and $\ell_2$-gain performance of recurrent neural networks (RNNs) with ReLU activation functions. These conditions are derived by combining Lyapunov/dissipativity theory with Quadratic Constraints (QCs) satisfied by repeated ReLUs. We write a general class of QCs for repeated RELUs using known properties for the scalar ReLU. Our stability and performance condition uses these QCs along with a "lifted" representation for the ReLU RNN. We show that the positive homogeneity property satisfied by a scalar ReLU does not expand the class of QCs for the repeated ReLU. We present examples to demonstrate the stability / performance condition and study the effect of the lifting horizon.
Authors: Enqiang Xu, Yiming Qiu, Junyang Bai, Ping Zhang, Dadong Miao, Songlin Wang, Guoyu Tang, Lin Liu, Mingming Li
Abstract: In large e-commerce platforms, search systems are typically composed of a series of modules, including recall, pre-ranking, and ranking phases. The pre-ranking phase, serving as a lightweight module, is crucial for filtering out the bulk of products in advance for the downstream ranking module. Industrial efforts on optimizing the pre-ranking model have predominantly focused on enhancing ranking consistency, model structure, and generalization towards long-tail items. Beyond these optimizations, meeting the system performance requirements presents a significant challenge. Contrasting with existing industry works, we propose a novel method: a Generalizable and RAnk-ConsistEnt Pre-Ranking Model (GRACE), which achieves: 1) Ranking consistency by introducing multiple binary classification tasks that predict whether a product is within the top-k results as estimated by the ranking model, which facilitates the addition of learning objectives on common point-wise ranking models; 2) Generalizability through contrastive learning of representation for all products by pre-training on a subset of ranking product embeddings; 3) Ease of implementation in feature construction and online deployment. Our extensive experiments demonstrate significant improvements in both offline metrics and online A/B test: a 0.75% increase in AUC and a 1.28% increase in CVR.
Authors: Nick Nikzad, Yongsheng Gao, Jun Zhou
Abstract: In recent years, convolutional neural networks (CNNs) with channel-wise feature refining mechanisms have brought noticeable benefits to modelling channel dependencies. However, current attention paradigms fail to infer an optimal channel descriptor capable of simultaneously exploiting statistical and spatial relationships among feature maps. In this paper, to overcome this shortcoming, we present a novel channel-wise spatially autocorrelated (CSA) attention mechanism. Inspired by geographical analysis, the proposed CSA exploits the spatial relationships between channels of feature maps to produce an effective channel descriptor. To the best of our knowledge, this is the f irst time that the concept of geographical spatial analysis is utilized in deep CNNs. The proposed CSA imposes negligible learning parameters and light computational overhead to the deep model, making it a powerful yet efficient attention module of choice. We validate the effectiveness of the proposed CSA networks (CSA-Nets) through extensive experiments and analysis on ImageNet, and MS COCO benchmark datasets for image classification, object detection, and instance segmentation. The experimental results demonstrate that CSA-Nets are able to consistently achieve competitive performance and superior generalization than several state-of-the-art attention-based CNNs over different benchmark tasks and datasets.
Authors: Hartmut H\"antze, Lina Xu, Felix J. Dorfner, Leonhard Donle, Daniel Truhn, Hugo Aerts, Mathias Prokop, Bram van Ginneken, Alessa Hering, Lisa C. Adams, Keno K. Bressem
Abstract: Purpose: To introduce a deep learning model capable of multi-organ segmentation in MRI scans, offering a solution to the current limitations in MRI analysis due to challenges in resolution, standardized intensity values, and variability in sequences. Materials and Methods: he model was trained on 1,200 manually annotated MRI scans from the UK Biobank, 221 in-house MRI scans and 1228 CT scans, leveraging cross-modality transfer learning from CT segmentation models. A human-in-the-loop annotation workflow was employed to efficiently create high-quality segmentations. The model's performance was evaluated on NAKO and the AMOS22 dataset containing 600 and 60 MRI examinations. Dice Similarity Coefficient (DSC) and Hausdorff Distance (HD) was used to assess segmentation accuracy. The model will be open sourced. Results: The model showcased high accuracy in segmenting well-defined organs, achieving Dice Similarity Coefficient (DSC) scores of 0.97 for the right and left lungs, and 0.95 for the heart. It also demonstrated robustness in organs like the liver (DSC: 0.96) and kidneys (DSC: 0.95 left, 0.95 right), which present more variability. However, segmentation of smaller and complex structures such as the portal and splenic veins (DSC: 0.54) and adrenal glands (DSC: 0.65 left, 0.61 right) revealed the need for further model optimization. Conclusion: The proposed model is a robust, tool for accurate segmentation of 40 anatomical structures in MRI and CT images. By leveraging cross-modality learning and interactive annotation, the model achieves strong performance and generalizability across diverse datasets, making it a valuable resource for researchers and clinicians. It is open source and can be downloaded from https://github.com/hhaentze/MRSegmentator.
Authors: Andra\v{z} Jelin\v{c}i\v{c}, James Foster, Patrick Kidger
Abstract: Despite the success of adaptive time-stepping in ODE simulation, it has so far seen few applications for Stochastic Differential Equations (SDEs). To simulate SDEs adaptively, methods such as the Virtual Brownian Tree (VBT) have been developed, which can generate Brownian motion (BM) non-chronologically. However, in most applications, knowing only the values of Brownian motion is not enough to achieve a high order of convergence; for that, we must compute time-integrals of BM such as $\int_s^t W_r \, dr$. With the aim of using high order SDE solvers adaptively, we extend the VBT to generate these integrals of BM in addition to the Brownian increments. A JAX-based implementation of our construction is included in the popular Diffrax library (https://github.com/patrick-kidger/diffrax). Since the entire Brownian path produced by VBT is uniquely determined by a single PRNG seed, previously generated samples need not be stored, which results in a constant memory footprint and enables experiment repeatability and strong error estimation. Based on binary search, the VBT's time complexity is logarithmic in the tolerance parameter $\varepsilon$. Unlike the original VBT algorithm, which was only precise at some dyadic times, we prove that our construction exactly matches the joint distribution of the Brownian motion and its time integrals at any query times, provided they are at least $\varepsilon$ apart. We present two applications of adaptive high order solvers enabled by our new VBT. Using adaptive solvers to simulate a high-volatility CIR model, we achieve more than twice the convergence order of constant stepping. We apply an adaptive third order underdamped or kinetic Langevin solver to an MCMC problem, where our approach outperforms the No U-Turn Sampler, while using only a tenth of its function evaluations.