Authors: Junling Hu
Abstract: This paper presents a novel approach for predicting molecular properties with high accuracy without the need for extensive pre-training. Employing ensemble learning and supervised fine-tuning of BERT, RoBERTa, and XLNet, our method demonstrates significant effectiveness compared to existing advanced models. Crucially, it addresses the issue of limited computational resources faced by experimental groups, enabling them to accurately predict molecular properties. This innovation provides a cost-effective and resource-efficient solution, potentially advancing further research in the molecular domain.
Authors: Aryan Gulati, Devanshu Ladsaria, Shubhra Mishra, Jasdeep Sidhu, Brando Miranda
Abstract: Large Language Models (LLMs) hold the potential to revolutionize autoformalization. The introduction of Lean4, a mathematical programming language, presents an unprecedented opportunity to rigorously assess the autoformalization capabilities of LLMs. This paper introduces a novel evaluation benchmark designed for Lean4, applying it to test the abilities of state-of-the-art LLMs, including GPT-3.5, GPT-4, and Gemini Pro. Our comprehensive analysis reveals that, despite recent advancements, these LLMs still exhibit limitations in autoformalization, particularly in more complex areas of mathematics. These findings underscore the need for further development in LLMs to fully harness their potential in scientific research and development. This study not only benchmarks current LLM capabilities but also sets the stage for future enhancements in autoformalization.
Authors: Kaiye Zhou, Shucheng Wang
Abstract: In the era of large language models, the demand for efficient use of computational resources has become critically important. Although parameter-efficient fine-tuning techniques have achieved results comparable to full fine-tuning, their application during the pre-training phase poses significant challenges. Specifically, employing parameter-efficient strategies at the onset of pre-training can severely compromise efficiency, especially in larger models. In this paper, building upon the fine-tuning method LoRA, we introduce a novel parameter-efficient training technique that frequently alters trainable part of parameters, facilitating effective pre-training. Our method not only achieves memory reductions and computational overhead comparable to current state-of-the-art parameter-efficient algorithms during the pre-training phase but also maintains accuracy levels comparable to those of full pre-training. We provide both theoretical analyses and empirical evidence to demonstrate the effectiveness of our approach.
Authors: Yilong Chen, Linhao Zhang, Junyuan Shang, Zhenyu Zhang, Tingwen Liu, Shuohuan Wang, Yu Sun
Abstract: Large language models (LLMs) with billions of parameters demonstrate impressive performance. However, the widely used Multi-Head Attention (MHA) in LLMs incurs substantial computational and memory costs during inference. While some efforts have optimized attention mechanisms by pruning heads or sharing parameters among heads, these methods often lead to performance degradation or necessitate substantial continued pre-training costs to restore performance. Based on the analysis of attention redundancy, we design a Decoupled-Head Attention (DHA) mechanism. DHA adaptively configures group sharing for key heads and value heads across various layers, achieving a better balance between performance and efficiency. Inspired by the observation of clustering similar heads, we propose to progressively transform the MHA checkpoint into the DHA model through linear fusion of similar head parameters step by step, retaining the parametric knowledge of the MHA checkpoint. We construct DHA models by transforming various scales of MHA checkpoints given target head budgets. Our experiments show that DHA remarkably requires a mere 0.25\% of the original model's pre-training budgets to achieve 97.6\% of performance while saving 75\% of KV cache. Compared to Group-Query Attention (GQA), DHA achieves a 5$\times$ training acceleration, a maximum of 13.93\% performance improvement under 0.01\% pre-training budget, and 4\% relative improvement under 0.05\% pre-training budget.
Authors: Jeshwanth Challagundla
Abstract: This thesis presents a novel approach to neural network training that addresses the challenge of determining the optimal number of learning factors. The proposed Adaptive Multiple Optimal Learning Factors (AMOLF) algorithm dynamically adjusts the number of learning factors based on the error change per multiply, leading to improved training efficiency and accuracy. The thesis also introduces techniques for grouping weights based on the curvature of the objective function and for compressing large Hessian matrices. Experimental results demonstrate the superior performance of AMOLF compared to existing methods like OWO-MOLF and Levenberg-Marquardt.
Authors: Adarsh Iyer, Nibodh Boddupalli, Jeff Moehlis
Abstract: Interpretable mathematical expressions defining discrete-time dynamical systems (iterated maps) can model many phenomena of scientific interest, enabling a deeper understanding of system behaviors. Since formulating governing expressions from first principles can be difficult, it is of particular interest to identify expressions for iterated maps given only their data streams. In this work, we consider a modified Symbolic Artificial Neural Network-Trained Expressions (SymANNTEx) architecture for this task, an architecture more expressive than others in the literature. We make a modification to the model pipeline to optimize the regression, then characterize the behavior of the adjusted model in identifying several classical chaotic maps. With the goal of parsimony, sparsity-inducing weight regularization and information theory-informed simplification are implemented. We show that our modified SymANNTEx model properly identifies single-state maps and achieves moderate success in approximating a dual-state attractor. These performances offer significant promise for data-driven scientific discovery and interpretation.
Authors: Mingju Liu, Yingjie Li, Jiaqi Yin, Zhiru Zhang, Cunxi Yu
Abstract: This paper addresses the complex issue of resource-constrained scheduling, an NP-hard problem that spans critical areas including chip design and high-performance computing. Traditional scheduling methods often stumble over scalability and applicability challenges. We propose a novel approach using a differentiable combinatorial scheduling framework, utilizing Gumbel-Softmax differentiable sampling technique. This new technical allows for a fully differentiable formulation of linear programming (LP) based scheduling, extending its application to a broader range of LP formulations. To encode inequality constraints for scheduling tasks, we introduce \textit{constrained Gumbel Trick}, which adeptly encodes arbitrary inequality constraints. Consequently, our method facilitates an efficient and scalable scheduling via gradient descent without the need for training data. Comparative evaluations on both synthetic and real-world benchmarks highlight our capability to significantly improve the optimization efficiency of scheduling, surpassing state-of-the-art solutions offered by commercial and open-source solvers such as CPLEX, Gurobi, and CP-SAT in the majority of the designs.
Authors: Abubakar Isah, Ibrahim Aliyu, Jaechan Shim, Hoyong Ryu, Jinsul Kim
Abstract: Fifth-generation (5G) core networks in network digital twins (NDTs) are complex systems with numerous components, generating considerable data. Analyzing these data can be challenging due to rare failure types, leading to imbalanced classes in multiclass classification. To address this problem, we propose a novel method of integrating a graph Fourier transform (GFT) into a message-passing neural network (MPNN) designed for NDTs. This approach transforms the data into a graph using the GFT to address class imbalance, whereas the MPNN extracts features and models dependencies between network components. This combined approach identifies failure types in real and simulated NDT environments, demonstrating its potential for accurate failure classification in 5G and beyond (B5G) networks. Moreover, the MPNN is adept at learning complex local structures among neighbors in an end-to-end setting. Extensive experiments have demonstrated that the proposed approach can identify failure types in three multiclass domain datasets at multiple failure points in real networks and NDT environments. The results demonstrate that the proposed GFT-MPNN can accurately classify network failures in B5G networks, especially when employed within NDTs to detect failure types.
Authors: Yutao Sun, Mingshuai Chen, Kangjia Zhao, He Li, Jintao Chen, Linyu Yang, Zhongyi Wang, Tiancheng Zhao, Jianwei Yin
Abstract: Artificial intelligence is rapidly encroaching on the field of service regulation. This work presents the design principles behind HORAE, a unified specification language to model multimodal regulation rules across a diverse set of domains. We show how HORAE facilitates an intelligent service regulation pipeline by further exploiting a fine-tuned large language model named HORAE that automates the HORAE modeling process, thereby yielding an end-to-end framework for fully automated intelligent service regulation.
Authors: Run-Xuan Tang
Abstract: The surging demand for new energy vehicles is driven by the imperative to conserve energy, reduce emissions, and enhance the ecological ambiance. By conducting behavioral analysis and mining usage patterns of new energy vehicles, particular patterns can be identified. For instance, overloading the battery, operating with low battery power, and driving at excessive speeds can all detrimentally affect the battery's performance. To assess the impact of such driving behavior on the urban ecology, an environmental computational modeling method has been proposed to simulate the interaction between new energy vehicles and the environment. To extend the time series data of the vehicle's entire life cycle and the ecological environment within the model sequence data, the LSTM model with Bayesian optimizer is utilized for simulation. The analysis revealed the detrimental effects of poor driving behavior on the environment.
Authors: Chu Li, Pingjia Xiao, Qiping Yuan
Abstract: This study presents a novel time series prediction model, FPN-fusion, designed with linear computational complexity, demonstrating superior predictive performance compared to DLiner without increasing parameter count or computational demands. Our model introduces two key innovations: first, a Feature Pyramid Network (FPN) is employed to effectively capture time series data characteristics, bypassing the traditional decomposition into trend and seasonal components. Second, a multi-level fusion structure is developed to integrate deep and shallow features seamlessly. Empirically, FPN-fusion outperforms DLiner in 31 out of 32 test cases on eight open-source datasets, with an average reduction of 16.8% in mean squared error (MSE) and 11.8% in mean absolute error (MAE). Additionally, compared to the transformer-based PatchTST, FPN-fusion achieves 10 best MSE and 15 best MAE results, using only 8% of PatchTST's total computational load in the 32 test projects.
Authors: Han Sun, Kevin Ammann, Stylianos Giannoulakis, Olga Fink
Abstract: Fault detection is crucial in industrial systems to prevent failures and optimize performance by distinguishing abnormal from normal operating conditions. Data-driven methods have been gaining popularity for fault detection tasks as the amount of condition monitoring data from complex industrial systems increases. Despite these advances, early fault detection remains a challenge under real-world scenarios. The high variability of operating conditions and environments makes it difficult to collect comprehensive training datasets that can represent all possible operating conditions, especially in the early stages of system operation. Furthermore, these variations often evolve over time, potentially leading to entirely new data distributions in the future that were previously unseen. These challenges prevent direct knowledge transfer across different units and over time, leading to the distribution gap between training and testing data and inducing performance degradation of those methods in real-world scenarios. To overcome this, our work introduces a novel approach for continuous test-time domain adaptation. This enables early-stage robust anomaly detection by addressing domain shifts and limited data representativeness issues. We propose a Test-time domain Adaptation Anomaly Detection (TAAD) framework that separates input variables into system parameters and measurements, employing two domain adaptation modules to independently adapt to each input category. This method allows for effective adaptation to evolving operating conditions and is particularly beneficial in systems with scarce data. Our approach, tested on a real-world pump monitoring dataset, shows significant improvements over existing domain adaptation methods in fault detection, demonstrating enhanced accuracy and reliability.
Authors: Justin Cui, Ruochen Wang, Yuanhao Xiong, Cho-Jui Hsieh
Abstract: Dataset Condensation has emerged as a technique for compressing large datasets into smaller synthetic counterparts, facilitating downstream training tasks. In this paper, we study the impact of bias inside the original dataset on the performance of dataset condensation. With a comprehensive empirical evaluation on canonical datasets with color, corruption and background biases, we found that color and background biases in the original dataset will be amplified through the condensation process, resulting in a notable decline in the performance of models trained on the condensed dataset, while corruption bias is suppressed through the condensation process. To reduce bias amplification in dataset condensation, we introduce a simple yet highly effective approach based on a sample reweighting scheme utilizing kernel density estimation. Empirical results on multiple real-world and synthetic datasets demonstrate the effectiveness of the proposed method. Notably, on CMNIST with 5% bias-conflict ratio and IPC 50, our method achieves 91.5% test accuracy compared to 23.8% from vanilla DM, boosting the performance by 67.7%, whereas applying state-of-the-art debiasing method on the same dataset only achieves 53.7% accuracy. Our findings highlight the importance of addressing biases in dataset condensation and provide a promising avenue to address bias amplification in the process.
Authors: Raffaele Romagnoli, Jasmine Ratchford, Mark H. Klein
Abstract: Control systems are indispensable for ensuring the safety of cyber-physical systems (CPS), spanning various domains such as automobiles, airplanes, and missiles. Safeguarding CPS necessitates runtime methodologies that continuously monitor safety-critical conditions and respond in a verifiably safe manner. A fundamental aspect of many safety approaches involves predicting the future behavior of systems. However, achieving this requires accurate models that can operate in real time. Motivated by DeepONets, we propose a novel strategy that combines the inductive bias of B-splines with data-driven neural networks to facilitate real-time predictions of CPS behavior. We introduce our hybrid B-spline neural operator, establishing its capability as a universal approximator and providing rigorous bounds on the approximation error. These findings are applicable to a broad class of nonlinear autonomous systems and are validated through experimentation on a controlled 6-degree-of-freedom (DOF) quadrotor with a 12 dimensional state space. Furthermore, we conduct a comparative analysis of different network architectures, specifically fully connected networks (FCNN) and recurrent neural networks (RNN), to elucidate the practical utility and trade-offs associated with each architecture in real-world scenarios.
Authors: Weiqi Zhang, Jiexia Ye, Ziyue Li, Jia Li, Fugee Tsung
Abstract: The recent rapid development of language models (LMs) has attracted attention in the field of time series, including multimodal time series modeling. However, we note that current time series multimodal methods are biased, often assigning a primary role to one modality while the other assumes a secondary role. They overlook the mutual benefits and complementary of different modalities. For example, in seizure diagnosis, relying solely on textual clinical reports makes it difficult to pinpoint the area and type of the disease, while electroencephalograms (EEGs) alone cannot provide an accurate diagnosis without considering the symptoms. In this study, based on the complementary information mining of time series multimodal data, we propose DualTime, a Dual-adapter multimodal language model for Time series representation implementing temporal-primary and textual-primary modeling simultaneously. By injecting lightweight adaption tokens, the LM pipeline shared by dual adapters encourages embedding alignment and achieves efficient fine-tuning. Empirically, our method outperforms state-of-the-art models in both supervised and unsupervised settings, highlighting the complementary benefits of different modalities. In addition, we conduct few-shot label transfer experiments, which further verifies the transferability and expressiveness of our proposed DualTime.
Authors: Eric Hartford, Lucas Atkins, Fernando Fernandes Neto, David Golchinfar
Abstract: Efficiently post-training large language models remains a challenging task due to the vast computational resources required. We present Spectrum, a method that accelerates LLM training by selectively targeting layer modules based on their signal-to-noise ratio (SNR), and freezing the remaining modules. Our approach, which utilizes an algorithm to compute module SNRs prior to training, has shown to effectively match the performance of full fine-tuning while reducing GPU memory usage. Experiments comparing Spectrum to existing methods such as QLoRA demonstrate its effectiveness in terms of model quality and VRAM efficiency in distributed environments.
Authors: Amir Rafe, Patrick A. Singleton
Abstract: This study investigates pedestrian crash severity through Automated Machine Learning (AutoML), offering a streamlined and accessible method for analyzing critical factors. Utilizing a detailed dataset from Utah spanning 2010-2021, the research employs AutoML to assess the effects of various explanatory variables on crash outcomes. The study incorporates SHAP (SHapley Additive exPlanations) to interpret the contributions of individual features in the predictive model, enhancing the understanding of influential factors such as lighting conditions, road type, and weather on pedestrian crash severity. Emphasizing the efficiency and democratization of data-driven methodologies, the paper discusses the benefits of using AutoML in traffic safety analysis. This integration of AutoML with SHAP analysis not only bolsters predictive accuracy but also improves interpretability, offering critical insights into effective pedestrian safety measures. The findings highlight the potential of this approach in advancing the analysis of pedestrian crash severity.
Authors: Zhou Zhou, Guohang He, Zheng Zhang, Luziwei Leng, Qinghai Guo, Jianxing Liao, Xuan Song, Ran Cheng
Abstract: Traditional invasive Brain-Computer Interfaces (iBCIs) typically depend on neural decoding processes conducted on workstations within laboratory settings, which prevents their everyday usage. Implementing these decoding processes on edge devices, such as the wearables, introduces considerable challenges related to computational demands, processing speed, and maintaining accuracy. This study seeks to identify an optimal neural decoding backbone that boasts robust performance and swift inference capabilities suitable for edge deployment. We executed a series of neural decoding experiments involving nonhuman primates engaged in random reaching tasks, evaluating four prospective models, Gated Recurrent Unit (GRU), Transformer, Receptance Weighted Key Value (RWKV), and Selective State Space model (Mamba), across several metrics: single-session decoding, multi-session decoding, new session fine-tuning, inference speed, calibration speed, and scalability. The findings indicate that although the GRU model delivers sufficient accuracy, the RWKV and Mamba models are preferable due to their superior inference and calibration speeds. Additionally, RWKV and Mamba comply with the scaling law, demonstrating improved performance with larger data sets and increased model sizes, whereas GRU shows less pronounced scalability, and the Transformer model requires computational resources that scale prohibitively. This paper presents a thorough comparative analysis of the four models in various scenarios. The results are pivotal in pinpointing an optimal backbone that can handle increasing data volumes and is viable for edge implementation. This analysis provides essential insights for ongoing research and practical applications in the field.
Authors: Yuan Sun, Jorge Ortiz
Abstract: With the continuous advancement of technology, artificial intelligence has significantly impacted various fields, particularly healthcare. Generative models, a key AI technology, have revolutionized medical image generation, data analysis, and diagnosis. This article explores their application in intelligent medical devices. Generative models enhance diagnostic speed and accuracy, improving medical service quality and efficiency while reducing equipment costs. These models show great promise in medical image generation, data analysis, and diagnosis. Additionally, integrating generative models with IoT technology facilitates real-time data analysis and predictions, offering smarter healthcare services and aiding in telemedicine. Challenges include computational demands, ethical concerns, and scenario-specific limitations.
Authors: Gjorgjina Cenikj, Ana Nikolikj, Ga\v{s}per Petelin, Niki van Stein, Carola Doerr, Tome Eftimov
Abstract: The selection of the most appropriate algorithm to solve a given problem instance, known as algorithm selection, is driven by the potential to capitalize on the complementary performance of different algorithms across sets of problem instances. However, determining the optimal algorithm for an unseen problem instance has been shown to be a challenging task, which has garnered significant attention from researchers in recent years. In this survey, we conduct an overview of the key contributions to algorithm selection in the field of single-objective continuous black-box optimization. We present ongoing work in representation learning of meta-features for optimization problem instances, algorithm instances, and their interactions. We also study machine learning models for automated algorithm selection, configuration, and performance prediction. Through this analysis, we identify gaps in the state of the art, based on which we present ideas for further development of meta-feature representations.
Authors: Noufel Saad, Maaroufi Nadir, Najib Mehdi, Bakhouya Mohamed
Abstract: Accurate time series forecasts are crucial for various applications, such as traffic management, electricity consumption, and healthcare. However, limitations in models and data quality can significantly impact forecasts accuracy. One common issue with data quality is the absence of data points, referred to as missing data. It is often caused by sensor malfunctions, equipment failures, or human errors. This paper proposes Hinge-FM2I, a novel method for handling missing data values in univariate time series data. Hinge-FM2I builds upon the strengths of the Forecasting Method by Image Inpainting (FM2I). FM2I has proven effective, but selecting the most accurate forecasts remain a challenge. To overcome this issue, we proposed a selection algorithm. Inspired by door hinges, Hinge-FM2I drops a data point either before or after the gap (left/right-hinge), then use FM2I for imputation, and then select the imputed gap based on the lowest error of the dropped data point. Hinge-FM2I was evaluated on a comprehensive sample composed of 1356 time series, extracted from the M3 competition benchmark dataset, with missing value rates ranging from 3.57\% to 28.57\%. Experimental results demonstrate that Hinge-FM2I significantly outperforms established methods such as, linear/spline interpolation, K-Nearest Neighbors (K-NN), and ARIMA. Notably, Hinge-FM2I achieves an average Symmetric Mean Absolute Percentage Error (sMAPE) score of 5.6\% for small gaps, and up to 10\% for larger ones. These findings highlight the effectiveness of Hinge-FM2I as a promising new method for addressing missing values in univariate time series data.
Authors: Adrian Moldovan, Angel Ca\c{t}aron, R\u{a}zvan Andonie
Abstract: Graph Convolutional Networks (GCN) are Graph Neural Networks where the convolutions are applied over a graph. In contrast to Convolutional Neural Networks, GCN's are designed to perform inference on graphs, where the number of nodes can vary, and the nodes are unordered. In this study, we address two important challenges related to GCNs: i) oversmoothing; and ii) the utilization of node relational properties (i.e., heterophily and homophily). Oversmoothing is the degradation of the discriminative capacity of nodes as a result of repeated aggregations. Heterophily is the tendency for nodes of different classes to connect, whereas homophily is the tendency of similar nodes to connect. We propose a new strategy for addressing these challenges in GCNs based on Transfer Entropy (TE), which measures of the amount of directed transfer of information between two time varying nodes. Our findings indicate that using node heterophily and degree information as a node selection mechanism, along with feature-based TE calculations, enhances accuracy across various GCN models. Our model can be easily modified to improve classification accuracy of a GCN model. As a trade off, this performance boost comes with a significant computational overhead when the TE is computed for many graph nodes.
Authors: Xiaoqi Qiu, Yongjie Wang, Xu Guo, Zhiwei Zeng, Yue Yu, Yuhong Feng, Chunyan Miao
Abstract: Counterfactually Augmented Data (CAD) involves creating new data samples by applying minimal yet sufficient modifications to flip the label of existing data samples to other classes. Training with CAD enhances model robustness against spurious features that happen to correlate with labels by spreading the casual relationships across different classes. Yet, recent research reveals that training with CAD may lead models to overly focus on modified features while ignoring other important contextual information, inadvertently introducing biases that may impair performance on out-ofdistribution (OOD) datasets. To mitigate this issue, we employ contrastive learning to promote global feature alignment in addition to learning counterfactual clues. We theoretically prove that contrastive loss can encourage models to leverage a broader range of features beyond those modified ones. Comprehensive experiments on two human-edited CAD datasets demonstrate that our proposed method outperforms the state-of-the-art on OOD datasets.
Authors: Lev Telyatnikov, Guillermo Bernardez, Marco Montagna, Pavlo Vasylenko, Ghada Zamzmi, Mustafa Hajij, Michael T Schaub, Nina Miolane, Simone Scardapane, Theodore Papamarkou
Abstract: This work introduces TopoBenchmarkX, a modular open-source library designed to standardize benchmarking and accelerate research in Topological Deep Learning (TDL). TopoBenchmarkX maps the TDL pipeline into a sequence of independent and modular components for data loading and processing, as well as model training, optimization, and evaluation. This modular organization provides flexibility for modifications and facilitates the adaptation and optimization of various TDL pipelines. A key feature of TopoBenchmarkX is that it allows for the transformation and lifting between topological domains. This enables, for example, to obtain richer data representations and more fine-grained analyses by mapping the topology and features of a graph to higher-order topological domains such as simplicial and cell complexes. The range of applicability of TopoBenchmarkX is demonstrated by benchmarking several TDL architectures for various tasks and datasets.
Authors: Jianhua Pei, Feng Cheng, Ping Wang, Hina Tabassum, Dongyuan Shi
Abstract: Semantic communication (SemCom) has emerged as a new paradigm for communication systems, with deep learning (DL) models being one of the key drives to shift from the accuracy of bit/symbol to the semantics and pragmatics of data. Nevertheless, DL-based SemCom systems often face performance bottlenecks due to overfitting, poor generalization, and sensitivity to outliers. Furthermore, the varying-fading gains and noises with uncertain signal-to-noise ratios (SNRs) commonly present in wireless channels usually restrict the accuracy of semantic information transmission. Consequently, to address the aforementioned issues, this paper constructs a SemCom system based on the latent diffusion model, and proposes three improvements compared to existing works: i) To handle potential outliers in the source data, semantic errors obtained by projected gradient descent based on the vulnerabilities of DL models, are utilized to update the parameters and obtain an outlier-robust encoder. ii) A lightweight single-layer latent space transformation adapter completes one-shot learning at transmitter and is placed before the decoder at receiver, enabling adaptation for out-of-distribution data or enhancing human-perceptual quality. iii) An end-to-end consistency distillation (EECD) strategy is used to distill the diffusion models trained in latent space, enabling deterministic single or few-step real-time denoising in various noisy channels while maintaining high semantic quality. Extensive numerical experiments across different datasets demonstrate the superiority of the proposed SemCom system, consistently proving its robustness to outliers, the capability to transmit data with unknown distributions, and the ability to perform real-time channel denoising tasks while preserving high human perceptual quality, outperforming the existing denoising approaches in semantic metrics such as MS-SSIM and LPIPS.
Authors: Jiahui Wu, Vanessa Frias-Martinez
Abstract: Deep learning architectures enhanced with human mobility data have been shown to improve the accuracy of short-term crime prediction models trained with historical crime data. However, human mobility data may be scarce in some regions, negatively impacting the correct training of these models. To address this issue, we propose a novel transfer learning framework for short-term crime prediction models, whereby weights from the deep learning crime prediction models trained in source regions with plenty of mobility data are transferred to target regions to fine-tune their local crime prediction models and improve crime prediction accuracy. Our results show that the proposed transfer learning framework improves the F1 scores for target cities with mobility data scarcity, especially when the number of months of available mobility data is small. We also show that the F1 score improvements are pervasive across different types of crimes and diverse cities in the US.
Authors: Kazi Fuad Bin Akhter, Sadia Mobasshira, Saief Nowaz Haque, Mahjub Alam Khan Hesham, Tanvir Ahmed
Abstract: The precise forecasting of electricity demand also referred to as load forecasting, is essential for both planning and managing a power system. It is crucial for many tasks, including choosing which power units to commit to, making plans for future power generation capacity, enhancing the power network, and controlling electricity consumption. As Bangladesh is a developing country, the electricity infrastructure is critical for economic growth and employment in this country. Accurate forecasting of electricity demand is crucial for ensuring that this country has a reliable and sustainable electricity supply to meet the needs of its growing population and economy. The complex and nonlinear behavior of such energy systems inhibits the creation of precise algorithms. Within this context, this paper aims to propose a hybrid model of Convolutional Neural Network (CNN) and stacked Bidirectional Long-short Term Memory (BiLSTM) architecture to perform an accurate short-term forecast of the electricity demand of Dhaka city. Short-term forecasting is ordinarily done to anticipate load for the following few hours to a few weeks. Normalization techniques have been also investigated because of the sensitivity of these models towards the input range. The proposed approach produced the best prediction results in comparison to the other benchmark models (LSTM, CNN- BiLSTM and CNN-LSTM) used in the study, with MAPE 1.64%, MSE 0.015, RMSE 0.122 and MAE 0.092. The result of the proposed model also outperformed some of the existing works on load-forecasting.
Authors: Yubin Xiao, Di Wang, Xuan Wu, Yuesong Wu, Boyang Li, Wei Du, Liupu Wang, You Zhou
Abstract: Neural models produce promising results when solving Vehicle Routing Problems (VRPs), but often fall short in generalization. Recent attempts to enhance model generalization often incur unnecessarily large training cost or cannot be directly applied to other models solving different VRP variants. To address these issues, we take a novel perspective on model architecture in this study. Specifically, we propose a plug-and-play Entropy-based Scaling Factor (ESF) and a Distribution-Specific (DS) decoder to enhance the size and distribution generalization, respectively. ESF adjusts the attention weight pattern of the model towards familiar ones discovered during training when solving VRPs of varying sizes. The DS decoder explicitly models VRPs of multiple training distribution patterns through multiple auxiliary light decoders, expanding the model representation space to encompass a broader range of distributional scenarios. We conduct extensive experiments on both synthetic and widely recognized real-world benchmarking datasets and compare the performance with seven baseline models. The results demonstrate the effectiveness of using ESF and DS decoder to obtain a more generalizable model and showcase their applicability to solve different VRP variants, i.e., travelling salesman problem and capacitated VRP. Notably, our proposed generic components require minimal computational resources, and can be effortlessly integrated into conventional generalization strategies to further elevate model generalization.
Authors: Ovanes Petrosyan, Li Pengyi, He Yulong, Liu Jiarui, Sun Zhaoruikun, Fu Guofeng, Meng Liping
Abstract: Rolling bearing fault detection has developed rapidly in the field of fault diagnosis technology, and it occupies a very important position in this field. Deep learning-based bearing fault diagnosis models have achieved significant success. At the same time, with the continuous improvement of new signal processing technologies such as Fourier transform, wavelet transform and empirical mode decomposition, the fault diagnosis technology of rolling bearings has also been greatly developed, and it can be said that it has entered a new research stage. However, most of the existing methods are limited to varying degrees in the industrial field. The main ones are fast feature extraction and computational complexity. The key to this paper is to propose a lightweight bearing fault diagnosis model DKDL-Net to solve these challenges. The model is trained on the CWRU data set by decoupling knowledge distillation and low rank adaptive fine tuning. Specifically, we built and trained a teacher model based on a 6-layer neural network with 69,626 trainable parameters, and on this basis, using decoupling knowledge distillation (DKD) and Low-Rank adaptive (LoRA) fine-tuning, we trained the student sag model DKDL-Net, which has only 6838 parameters. Experiments show that DKDL-Net achieves 99.48\% accuracy in computational complexity on the test set while maintaining model performance, which is 0.58\% higher than the state-of-the-art (SOTA) model, and our model has lower parameters. Our code is available at Github link: https://github.com/SPBU-LiPengyi/DKDL-Net.git.
Authors: Vishnu Unnikrishnan, Clara Puga, Miro Schleicher, Uli Niemann, Berthod Langguth, Stefan Schoisswohl, Birgit Mazurek, Rilana Cima, Jose Antonio Lopez-Escamez, Dimitris Kikidis, Eleftheria Vellidou, Ruediger Pryss, Winfried Schlee, Myra Spiliopoulou
Abstract: Current clinical decision support systems (DSS) are trained and validated on observational data from the target clinic. This is problematic for treatments validated in a randomized clinical trial (RCT), but not yet introduced in any clinic. In this work, we report on a method for training and validating the DSS using the RCT data. The key challenges we address are of missingness -- missing rationale for treatment assignment (the assignment is at random), and missing verification evidence, since the effectiveness of a treatment for a patient can only be verified (ground truth) for treatments what were actually assigned to a patient. We use data from a multi-armed RCT that investigated the effectiveness of single- and combination- treatments for 240+ tinnitus patients recruited and treated in 5 clinical centers. To deal with the 'missing rationale' challenge, we re-model the target variable (outcome) in order to suppress the effect of the randomly-assigned treatment, and control on the effect of treatment in general. Our methods are also robust to missing values in features and with a small number of patients per RCT arm. We deal with 'missing verification evidence' by using counterfactual treatment verification, which compares the effectiveness of the DSS recommendations to the effectiveness of the RCT assignments when they are aligned v/s not aligned. We demonstrate that our approach leverages the RCT data for learning and verification, by showing that the DSS suggests treatments that improve the outcome. The results are limited through the small number of patients per treatment; while our ensemble is designed to mitigate this effect, the predictive performance of the methods is affected by the smallness of the data. We provide a basis for the establishment of decision supporting routines on treatments that have been tested in RCTs but have not yet been deployed clinically.
Authors: Ahmed Elbakary, Chaouki Ben Issaid, Mohammad Shehab, Karim Seddik, Tamer ElBatt, Mehdi Bennis
Abstract: Federated learning is a machine learning approach where multiple devices collaboratively learn with the help of a parameter server by sharing only their local updates. While gradient-based optimization techniques are widely adopted in this domain, the curvature information that second-order methods exhibit is crucial to guide and speed up the convergence. This paper introduces a scalable second-order method, allowing the adoption of curvature information in federated large models. Our method, coined Fed-Sophia, combines a weighted moving average of the gradient with a clipping operation to find the descent direction. In addition to that, a lightweight estimation of the Hessian's diagonal is used to incorporate the curvature information. Numerical evaluation shows the superiority, robustness, and scalability of the proposed Fed-Sophia scheme compared to first and second-order baselines.
Authors: David M. Knigge, David R. Wessels, Riccardo Valperga, Samuele Papa, Jan-Jakob Sonke, Efstratios Gavves, Erik J. Bekkers
Abstract: Recently, Conditional Neural Fields (NeFs) have emerged as a powerful modelling paradigm for PDEs, by learning solutions as flows in the latent space of the Conditional NeF. Although benefiting from favourable properties of NeFs such as grid-agnosticity and space-time-continuous dynamics modelling, this approach limits the ability to impose known constraints of the PDE on the solutions -- e.g. symmetries or boundary conditions -- in favour of modelling flexibility. Instead, we propose a space-time continuous NeF-based solving framework that - by preserving geometric information in the latent space - respects known symmetries of the PDE. We show that modelling solutions as flows of pointclouds over the group of interest $G$ improves generalization and data-efficiency. We validated that our framework readily generalizes to unseen spatial and temporal locations, as well as geometric transformations of the initial conditions - where other NeF-based PDE forecasting methods fail - and improve over baselines in a number of challenging geometries.
Authors: Eleni Straitouri, Suhas Thejaswi, Manuel Gomez Rodriguez
Abstract: Decision support systems based on prediction sets help humans solve multiclass classification tasks by narrowing down the set of potential label values to a subset of them, namely a prediction set, and asking them to always predict label values from the prediction sets. While this type of systems have been proven to be effective at improving the average accuracy of the predictions made by humans, by restricting human agency, they may cause harm$\unicode{x2014}$a human who has succeeded at predicting the ground-truth label of an instance on their own may have failed had they used these systems. In this paper, our goal is to control how frequently a decision support system based on prediction sets may cause harm, by design. To this end, we start by characterizing the above notion of harm using the theoretical framework of structural causal models. Then, we show that, under a natural, albeit unverifiable, monotonicity assumption, we can estimate how frequently a system may cause harm using only predictions made by humans on their own. Further, we also show that, under a weaker monotonicity assumption, which can be verified experimentally, we can bound how frequently a system may cause harm again using only predictions made by humans on their own. Building upon these assumptions, we introduce a computational framework to design decision support systems based on prediction sets that are guaranteed to cause harm less frequently than a user-specified value using conformal risk control. We validate our framework using real human predictions from two different human subject studies and show that, in decision support systems based on prediction sets, there is a trade-off between accuracy and counterfactual harm.
Authors: Ankit Vani, Frederick Tung, Gabriel L. Oliveira, Hossein Sharifi-Noghabi
Abstract: Despite attaining high empirical generalization, the sharpness of models trained with sharpness-aware minimization (SAM) do not always correlate with generalization error. Instead of viewing SAM as minimizing sharpness to improve generalization, our paper considers a new perspective based on SAM's training dynamics. We propose that perturbations in SAM perform perturbed forgetting, where they discard undesirable model biases to exhibit learning signals that generalize better. We relate our notion of forgetting to the information bottleneck principle, use it to explain observations like the better generalization of smaller perturbation batches, and show that perturbed forgetting can exhibit a stronger correlation with generalization than flatness. While standard SAM targets model biases exposed by the steepest ascent directions, we propose a new perturbation that targets biases exposed through the model's outputs. Our output bias forgetting perturbations outperform standard SAM, GSAM, and ASAM on ImageNet, robustness benchmarks, and transfer to CIFAR-{10,100}, while sometimes converging to sharper regions. Our results suggest that the benefits of SAM can be explained by alternative mechanistic principles that do not require flatness of the loss surface.
Authors: Michelle Pan, Mariah Schrum, Vivek Myers, Erdem B{\i}y{\i}k, Anca Dragan
Abstract: Adaptive brain stimulation can treat neurological conditions such as Parkinson's disease and post-stroke motor deficits by influencing abnormal neural activity. Because of patient heterogeneity, each patient requires a unique stimulation policy to achieve optimal neural responses. Model-free reinforcement learning (MFRL) holds promise in learning effective policies for a variety of similar control tasks, but is limited in domains like brain stimulation by a need for numerous costly environment interactions. In this work we introduce Coprocessor Actor Critic, a novel, model-based reinforcement learning (MBRL) approach for learning neural coprocessor policies for brain stimulation. Our key insight is that coprocessor policy learning is a combination of learning how to act optimally in the world and learning how to induce optimal actions in the world through stimulation of an injured brain. We show that our approach overcomes the limitations of traditional MFRL methods in terms of sample efficiency and task success and outperforms baseline MBRL approaches in a neurologically realistic model of an injured brain.
Authors: K M Tawsik Jawad, Anusha Verma, Fathi Amsaad
Abstract: Chronic Kidney Disease (CKD) is one of the widespread Chronic diseases with no known ultimo cure and high morbidity. Research demonstrates that progressive Chronic Kidney Disease (CKD) is a heterogeneous disorder that significantly impacts kidney structure and functions, eventually leading to kidney failure. With the progression of time, chronic kidney disease has moved from a life-threatening disease affecting few people to a common disorder of varying severity. The goal of this research is to visualize dominating features, feature scores, and values exhibited for early prognosis and detection of CKD using ensemble learning and explainable AI. For that, an AI-driven predictive analytics approach is proposed to aid clinical practitioners in prescribing lifestyle modifications for individual patients to reduce the rate of progression of this disease. Our dataset is collected on body vitals from individuals with CKD and healthy subjects to develop our proposed AI-driven solution accurately. In this regard, blood and urine test results are provided, and ensemble tree-based machine-learning models are applied to predict unseen cases of CKD. Our research findings are validated after lengthy consultations with nephrologists. Our experiments and interpretation results are compared with existing explainable AI applications in various healthcare domains, including CKD. The comparison shows that our developed AI models, particularly the Random Forest model, have identified more features as significant contributors than XgBoost. Interpretability (I), which measures the ratio of important to masked features, indicates that our XgBoost model achieved a higher score, specifically a Fidelity of 98\%, in this metric and naturally in the FII index compared to competing models.
Authors: Usman Gohar, Zeyu Tang, Jialu Wang, Kun Zhang, Peter L. Spirtes, Yang Liu, Lu Cheng
Abstract: The widespread integration of Machine Learning systems in daily life, particularly in high-stakes domains, has raised concerns about the fairness implications. While prior works have investigated static fairness measures, recent studies reveal that automated decision-making has long-term implications and that off-the-shelf fairness approaches may not serve the purpose of achieving long-term fairness. Additionally, the existence of feedback loops and the interaction between models and the environment introduces additional complexities that may deviate from the initial fairness goals. In this survey, we review existing literature on long-term fairness from different perspectives and present a taxonomy for long-term fairness studies. We highlight key challenges and consider future research directions, analyzing both current issues and potential further explorations.
Authors: Hanxuan Wang, Na Lu, Yinhong Liu, Zhuqing Wang, Zixuan Wang
Abstract: The success of deep learning in transient stability assessment (TSA) heavily relies on high-quality training data. However, the label information in TSA datasets is vulnerable to contamination through false label injection (FLI) cyberattacks, resulting in degraded performance of deep TSA models. To address this challenge, a Multi-Module Robust TSA method (MMR) is proposed to rectify the supervised training process misguided by FLI in an unsupervised manner. In MMR, a supervised classification module and an unsupervised clustering module are alternatively trained to improve the clustering friendliness of representation leaning, thereby achieving accurate clustering assignments. Leveraging the clustering assignments, we construct a training label corrector to rectify the injected false labels and progressively enhance robustness and resilience against FLI. However, there is still a gap on accuracy and convergence speed between MMR and FLI-free deep TSA models. To narrow this gap, we further propose a human-in-the-loop training strategy, named MMR-HIL. In MMR-HIL, potential false samples can be detected by modeling the training loss with a Gaussian distribution. From these samples, the most likely false samples and most ambiguous samples are re-labeled by a TSA experts guided bi-directional annotator and then subjected to penalized optimization, aimed at improving accuracy and convergence speed. Extensive experiments indicate that MMR and MMR-HIL both exhibit powerful robustness against FLI in TSA performance. Moreover, the contaminated labels can also be effectively corrected, demonstrating superior resilience of the proposed methods.
Authors: Md Hasibul Amin, Mohammadreza Mohammadi, Ramtin Zand
Abstract: In this work, we employ neural architecture search (NAS) to enhance the efficiency of deploying diverse machine learning (ML) tasks on in-memory computing (IMC) architectures. Initially, we design three fundamental components inspired by the convolutional layers found in VGG and ResNet models. Subsequently, we utilize Bayesian optimization to construct a convolutional neural network (CNN) model with adaptable depths, employing these components. Through the Bayesian search algorithm, we explore a vast search space comprising over 640 million network configurations to identify the optimal solution, considering various multi-objective cost functions like accuracy/latency and accuracy/energy. Our evaluation of this NAS approach for IMC architecture deployment spans three distinct image classification datasets, demonstrating the effectiveness of our method in achieving a balanced solution characterized by high accuracy and reduced latency and energy consumption.
Authors: Zachary Bastiani, Robert M. Kirby, Jacob Hochhalter, Shandian Zhe
Abstract: This paper proposes a novel deep symbolic regression approach to enhance the robustness and interpretability of data-driven mathematical expression discovery. Despite the success of the state-of-the-art method, DSR, it is built on recurrent neural networks, purely guided by data fitness, and potentially meet tail barriers, which can zero out the policy gradient and cause inefficient model updates. To overcome these limitations, we use transformers in conjunction with breadth-first-search to improve the learning performance. We use Bayesian information criterion (BIC) as the reward function to explicitly account for the expression complexity and optimize the trade-off between interpretability and data fitness. We propose a modified risk-seeking policy that not only ensures the unbiasness of the gradient, but also removes the tail barriers, thus ensuring effective updates from top performers. Through a series of benchmarks and systematic experiments, we demonstrate the advantages of our approach.
Authors: Dingrong Wang, Hitesh Sapkota, Zhiqiang Tao, Qi Yu
Abstract: Prior neural architecture search (NAS) for adversarial robustness works have discovered that a lightweight and adversarially robust neural network architecture could exist in a non-robust large teacher network, generally disclosed by heuristic rules through statistical analysis and neural architecture search, generally disclosed by heuristic rules from neural architecture search. However, heuristic methods cannot uniformly handle different adversarial attacks and "teacher" network capacity. To solve this challenge, we propose a Reinforced Compressive Neural Architecture Search (RC-NAS) for Versatile Adversarial Robustness. Specifically, we define task settings that compose datasets, adversarial attacks, and teacher network information. Given diverse tasks, we conduct a novel dual-level training paradigm that consists of a meta-training and a fine-tuning phase to effectively expose the RL agent to diverse attack scenarios (in meta-training), and making it adapt quickly to locate a sub-network (in fine-tuning) for any previously unseen scenarios. Experiments show that our framework could achieve adaptive compression towards different initial teacher networks, datasets, and adversarial attacks, resulting in more lightweight and adversarially robust architectures.
Authors: Chang Chen, Junyeob Baek, Fei Deng, Kenji Kawaguchi, Caglar Gulcehre, Sungjin Ahn
Abstract: Despite the recent advancements in offline RL, no unified algorithm could achieve superior performance across a broad range of tasks. Offline \textit{value function learning}, in particular, struggles with sparse-reward, long-horizon tasks due to the difficulty of solving credit assignment and extrapolation errors that accumulates as the horizon of the task grows.~On the other hand, models that can perform well in long-horizon tasks are designed specifically for goal-conditioned tasks, which commonly perform worse than value function learning methods on short-horizon, dense-reward scenarios. To bridge this gap, we propose a hierarchical planner designed for offline RL called PlanDQ. PlanDQ incorporates a diffusion-based planner at the high level, named D-Conductor, which guides the low-level policy through sub-goals. At the low level, we used a Q-learning based approach called the Q-Performer to accomplish these sub-goals. Our experimental results suggest that PlanDQ can achieve superior or competitive performance on D4RL continuous control benchmark tasks as well as AntMaze, Kitchen, and Calvin as long-horizon tasks.
Authors: Alex Lewandowski, Saurabh Kumar, Dale Schuurmans, Andr\'as Gy\"orgy, Marlos C. Machado
Abstract: Loss of plasticity is a phenomenon where neural networks become more difficult to train during the course of learning. Continual learning algorithms seek to mitigate this effect by sustaining good predictive performance while maintaining network trainability. We develop new techniques for improving continual learning by first reconsidering how initialization can ensure trainability during early phases of learning. From this perspective, we derive new regularization strategies for continual learning that ensure beneficial initialization properties are better maintained throughout training. In particular, we investigate two new regularization techniques for continual learning: (i) Wasserstein regularization toward the initial weight distribution, which is less restrictive than regularizing toward initial weights; and (ii) regularizing weight matrix singular values, which directly ensures gradient diversity is maintained throughout training. We present an experimental analysis that shows these alternative regularizers can improve continual learning performance across a range of supervised learning tasks and model architectures. The alternative regularizers prove to be less sensitive to hyperparameters while demonstrating better training in individual tasks, sustaining trainability as new tasks arrive, and achieving better generalization performance.
Authors: David W. Sroczynski, Felix Dietrich, Eleni D. Koronaki, Ronen Talmon, Ronald R. Coifman, Erik Bollt, Ioannis G. Kevrekidis
Abstract: Before we attempt to learn a function between two (sets of) observables of a physical process, we must first decide what the inputs and what the outputs of the desired function are going to be. Here we demonstrate two distinct, data-driven ways of initially deciding ``the right quantities'' to relate through such a function, and then proceed to learn it. This is accomplished by processing multiple simultaneous heterogeneous data streams (ensembles of time series) from observations of a physical system: multiple observation processes of the system. We thus determine (a) what subsets of observables are common between the observation processes (and therefore observable from each other, relatable through a function); and (b) what information is unrelated to these common observables, and therefore particular to each observation process, and not contributing to the desired function. Any data-driven function approximation technique can subsequently be used to learn the input-output relation, from k-nearest neighbors and Geometric Harmonics to Gaussian Processes and Neural Networks. Two particular ``twists'' of the approach are discussed. The first has to do with the identifiability of particular quantities of interest from the measurements. We now construct mappings from a single set of observations of one process to entire level sets of measurements of the process, consistent with this single set. The second attempts to relate our framework to a form of causality: if one of the observation processes measures ``now'', while the second observation process measures ``in the future'', the function to be learned among what is common across observation processes constitutes a dynamical model for the system evolution.
Authors: Yuanjie Shi, Subhankar Ghosh, Taha Belkhouja, Janardhan Rao Doppa, Yan Yan
Abstract: Conformal prediction (CP) is an emerging uncertainty quantification framework that allows us to construct a prediction set to cover the true label with a pre-specified marginal or conditional probability. Although the valid coverage guarantee has been extensively studied for classification problems, CP often produces large prediction sets which may not be practically useful. This issue is exacerbated for the setting of class-conditional coverage on imbalanced classification tasks. This paper proposes the Rank Calibrated Class-conditional CP (RC3P) algorithm to reduce the prediction set sizes to achieve class-conditional coverage, where the valid coverage holds for each class. In contrast to the standard class-conditional CP (CCP) method that uniformly thresholds the class-wise conformity score for each class, the augmented label rank calibration step allows RC3P to selectively iterate this class-wise thresholding subroutine only for a subset of classes whose class-wise top-k error is small. We prove that agnostic to the classifier and data distribution, RC3P achieves class-wise coverage. We also show that RC3P reduces the size of prediction sets compared to the CCP method. Comprehensive experiments on multiple real-world datasets demonstrate that RC3P achieves class-wise coverage and 26.25% reduction in prediction set sizes on average.
Authors: Alex DeWeese, Guannan Qu
Abstract: Many multi-agent systems in practice are decentralized and have dynamically varying dependencies. There has been a lack of attempts in the literature to analyze these systems theoretically. In this paper, we propose and theoretically analyze a decentralized model with dynamically varying dependencies called the Locally Interdependent Multi-Agent MDP. This model can represent problems in many disparate domains such as cooperative navigation, obstacle avoidance, and formation control. Despite the intractability that general partially observable multi-agent systems suffer from, we propose three closed-form policies that are theoretically near-optimal in this setting and can be scalable to compute and store. Consequentially, we reveal a fundamental property of Locally Interdependent Multi-Agent MDP's that the partially observable decentralized solution is exponentially close to the fully observable solution with respect to the visibility radius. We then discuss extensions of our closed-form policies to further improve tractability. We conclude by providing simulations to investigate some long horizon behaviors of our closed-form policies.
Authors: Boxin Zhao, Weishi Wang, Dingyuan Zhu, Ziqi Liu, Dong Wang, Zhiqiang Zhang, Jun Zhou, Mladen Kolar
Abstract: The causal dependence in data is often characterized by Directed Acyclic Graphical (DAG) models, widely used in many areas. Causal discovery aims to recover the DAG structure using observational data. This paper focuses on causal discovery with multi-variate count data. We are motivated by real-world web visit data, recording individual user visits to multiple websites. Building a causal diagram can help understand user behavior in transitioning between websites, inspiring operational strategy. A challenge in modeling is user heterogeneity, as users with different backgrounds exhibit varied behaviors. Additionally, social network connections can result in similar behaviors among friends. We introduce personalized Binomial DAG models to address heterogeneity and network dependency between observations, which are common in real-world applications. To learn the proposed DAG model, we develop an algorithm that embeds the network structure into a dimension-reduced covariate, learns each node's neighborhood to reduce the DAG search space, and explores the variance-mean relation to determine the ordering. Simulations show our algorithm outperforms state-of-the-art competitors in heterogeneous data. We demonstrate its practical usefulness on a real-world web visit dataset.
Authors: Dan Qiao, Kaiqi Zhang, Esha Singh, Daniel Soudry, Yu-Xiang Wang
Abstract: We study the generalization of two-layer ReLU neural networks in a univariate nonparametric regression problem with noisy labels. This is a problem where kernels (\emph{e.g.} NTK) are provably sub-optimal and benign overfitting does not happen, thus disqualifying existing theory for interpolating (0-loss, global optimal) solutions. We present a new theory of generalization for local minima that gradient descent with a constant learning rate can \emph{stably} converge to. We show that gradient descent with a fixed learning rate $\eta$ can only find local minima that represent smooth functions with a certain weighted \emph{first order total variation} bounded by $1/\eta - 1/2 + \widetilde{O}(\sigma + \sqrt{\mathrm{MSE}})$ where $\sigma$ is the label noise level, $\mathrm{MSE}$ is short for mean squared error against the ground truth, and $\widetilde{O}(\cdot)$ hides a logarithmic factor. Under mild assumptions, we also prove a nearly-optimal MSE bound of $\widetilde{O}(n^{-4/5})$ within the strict interior of the support of the $n$ data points. Our theoretical results are validated by extensive simulation that demonstrates large learning rate training induces sparse linear spline fits. To the best of our knowledge, we are the first to obtain generalization bound via minima stability in the non-interpolation case and the first to show ReLU NNs without regularization can achieve near-optimal rates in nonparametric regression.
Authors: Ahmet Sarigun, Vedran Franke, Altuna Akalin
Abstract: While there has been discussion about noise levels in molecular docking datasets such as PDBBind, a thorough analysis of their physical/chemical and bioactivity noise characteristics is still lacking. PoseCheck addresses this issue by examining molecular strain energy, molecular-protein clashes, and interactions, but it is primarily created for $de$ $novo$ drug design. Another important metric in molecular docking, Binding Affinity Energy, is better assessed by the new empirical score function, AA-Score, which has demonstrated improved performance over existing methods. To tackle these challenges, we propose the COMPASS method, which integrates the PoseCheck and AA-Score modules. This approach evaluates dataset noise levels and the physical/chemical and bioactivity feasibility of docked molecules. Our analysis of the PDBBind dataset using COMPASS reveals significant noise in the ground truth data. Additionally, we incorporate COMPASS with the state-of-the-art molecular docking method, DiffDock, in inference mode to achieve efficient and accurate assessments of docked ligands. Finally, we propose a new paradigm to enhance model performance for molecular docking through fine-tuning and discuss the potential benefits of this approach. The source code is available publicly at https://github.com/BIMSBbioinfo/Compass.
Authors: Adhyyan Narang, Andrew Wagenmaker, Lillian Ratliff, Kevin Jamieson
Abstract: In this paper, we study the non-asymptotic sample complexity for the pure exploration problem in contextual bandits and tabular reinforcement learning (RL): identifying an epsilon-optimal policy from a set of policies with high probability. Existing work in bandits has shown that it is possible to identify the best policy by estimating only the difference between the behaviors of individual policies, which can be substantially cheaper than estimating the behavior of each policy directly. However, the best-known complexities in RL fail to take advantage of this and instead estimate the behavior of each policy directly. Does it suffice to estimate only the differences in the behaviors of policies in RL? We answer this question positively for contextual bandits but in the negative for tabular RL, showing a separation between contextual bandits and RL. However, inspired by this, we show that it almost suffices to estimate only the differences in RL: if we can estimate the behavior of a single reference policy, it suffices to only estimate how any other policy deviates from this reference policy. We develop an algorithm which instantiates this principle and obtains, to the best of our knowledge, the tightest known bound on the sample complexity of tabular RL.
Authors: Liwen Chang, Wenlei Bao, Qi Hou, Chengquan Jiang, Ningxin Zheng, Yinmin Zhong, Xuanrun Zhang, Zuquan Song, Ziheng Jiang, Haibin Lin, Xin Jin, Xin Liu
Abstract: Large deep learning models have demonstrated strong ability to solve many tasks across a wide range of applications. Those large models typically require training and inference to be distributed. Tensor parallelism is a common technique partitioning computation of an operation or layer across devices to overcome the memory capacity limitation of a single processor, and/or to accelerate computation to meet a certain latency requirement. However, this kind of parallelism introduces additional communication that might contribute a significant portion of overall runtime. Thus limits scalability of this technique within a group of devices with high speed interconnects, such as GPUs with NVLinks in a node. This paper proposes a novel method, Flux, to significantly hide communication latencies with dependent computations for GPUs. Flux over-decomposes communication and computation operations into much finer-grained operations and further fuses them into a larger kernel to effectively hide communication without compromising kernel efficiency. Flux can potentially overlap up to 96% of communication given a fused kernel. Overall, it can achieve up to 1.24x speedups for training over Megatron-LM on a cluster of 128 GPUs with various GPU generations and interconnects, and up to 1.66x and 1.30x speedups for prefill and decoding inference over vLLM on a cluster with 8 GPUs with various GPU generations and interconnects.
Authors: Quangao Liu, Wei Yang, Chen Liang, Longlong Pang, Zhuozhang Zou
Abstract: Traditional methods for tabular classification usually rely on supervised learning from scratch, which requires extensive training data to determine model parameters. However, a novel approach called Prior-Data Fitted Networks (TabPFN) has changed this paradigm. TabPFN uses a 12-layer transformer trained on large synthetic datasets to learn universal tabular representations. This method enables fast and accurate predictions on new tasks with a single forward pass and no need for additional training. Although TabPFN has been successful on small datasets, it generally shows weaker performance when dealing with categorical features. To overcome this limitation, we propose FT-TabPFN, which is an enhanced version of TabPFN that includes a novel Feature Tokenization layer to better handle classification features. By fine-tuning it for downstream tasks, FT-TabPFN not only expands the functionality of the original model but also significantly improves its applicability and accuracy in tabular classification. Our full source code is available for community use and development.
Authors: Jonathan Y. Zhou, Yao Xie
Abstract: In the wild, we often encounter collections of sequential data such as electrocardiograms, motion capture, genomes, and natural language, and sequences may be multichannel or symbolic with nonlinear dynamics. We introduce a new method to learn low-dimensional representations of nonlinear time series without supervision and can have provable recovery guarantees. The learned representation can be used for downstream machine-learning tasks such as clustering and classification. The method is based on the assumption that the observed sequences arise from a common domain, but each sequence obeys its own autoregressive models that are related to each other through low-rank regularization. We cast the problem as a computationally efficient convex matrix parameter recovery problem using monotone Variational Inequality and encode the common domain assumption via low-rank constraint across the learned representations, which can learn the geometry for the entire domain as well as faithful representations for the dynamics of each individual sequence using the domain information in totality. We show the competitive performance of our method on real-world time-series data with the baselines and demonstrate its effectiveness for symbolic text modeling and RNA sequence clustering.
Authors: Lineghuan Meng, Chuang Wang
Abstract: This letter presents a high-dimensional analysis of the training dynamics for a single-layer nonlinear contrastive learning model. The empirical distribution of the model weights converges to a deterministic measure governed by a McKean-Vlasov nonlinear partial differential equation (PDE). Under L2 regularization, this PDE reduces to a closed set of low-dimensional ordinary differential equations (ODEs), reflecting the evolution of the model performance during the training process. We analyze the fixed point locations and their stability of the ODEs unveiling several interesting findings. First, only the hidden variable's second moment affects feature learnability at the state with uninformative initialization. Second, higher moments influence the probability of feature selection by controlling the attraction region, rather than affecting local stability. Finally, independent noises added in the data argumentation degrade performance but negatively correlated noise can reduces the variance of gradient estimation yielding better performance. Despite of the simplicity of the analyzed model, it exhibits a rich phenomena of training dynamics, paving a way to understand more complex mechanism behind practical large models.
Authors: Wenchuan Yang, Cheng Yang, Jichao Li, Yuejin Tan, Xin Lu, Chuan Shi
Abstract: The personalized bundle generation problem, which aims to create a preferred bundle for user from numerous candidate items, receives increasing attention in recommendation. However, existing works ignore the order-invariant nature of the bundle and adopt sequential modeling methods as the solution, which might introduce inductive bias and cause a large latency in prediction. To address this problem, we propose to perform the bundle generation via non-autoregressive mechanism and design a novel encoder-decoder framework named BundleNAT, which can effectively output the targeted bundle in one-shot without relying on any inherent order. In detail, instead of learning sequential dependency, we propose to adopt pre-training techniques and graph neural network to fully embed user-based preference and item-based compatibility information, and use a self-attention based encoder to further extract global dependency pattern. We then design a permutation-equivariant decoding architecture that is able to directly output the desired bundle in a one-shot manner. Experiments on three real-world datasets from Youshu and Netease show the proposed BundleNAT significantly outperforms the current state-of-the-art methods in average by up to 35.92%, 10.97% and 23.67% absolute improvements in Precision, Precision+, and Recall, respectively.
Authors: Weimin Huang, Taoan Huang, Aaron M Ferber, Bistra Dilkina
Abstract: Mixed Integer Linear Programming (MILP) is a fundamental tool for modeling combinatorial optimization problems. Recently, a growing body of research has used machine learning to accelerate MILP solving. Despite the increasing popularity of this approach, there is a lack of a common repository that provides distributions of similar MILP instances across different domains, at different hardness levels, with standardized test sets. In this paper, we introduce Distributional MIPLIB, a multi-domain library of problem distributions for advancing ML-guided MILP methods. We curate MILP distributions from existing work in this area as well as real-world problems that have not been used, and classify them into different hardness levels. It will facilitate research in this area by enabling comprehensive evaluation on diverse and realistic domains. We empirically illustrate the benefits of using Distributional MIPLIB as a research vehicle in two ways. We evaluate the performance of ML-guided variable branching on previously unused distributions to identify potential areas for improvement. Moreover, we propose to learn branching policies from a mix of distributions, demonstrating that mixed distributions achieve better performance compared to homogeneous distributions when there is limited data and generalize well to larger instances.
Authors: Jiawei Zhang, Jiaxin Zhuang, Cheng Jin, Gen Li, Yuantao Gu
Abstract: The recent emergence of diffusion models has significantly advanced the precision of learnable priors, presenting innovative avenues for addressing inverse problems. Since inverse problems inherently entail maximum a posteriori estimation, previous works have endeavored to integrate diffusion priors into the optimization frameworks. However, prevailing optimization-based inverse algorithms primarily exploit the prior information within the diffusion models while neglecting their denoising capability. To bridge this gap, this work leverages the diffusion process to reframe noisy inverse problems as a two-variable constrained optimization task by introducing an auxiliary optimization variable. By employing gradient truncation, the projection gradient descent method is efficiently utilized to solve the corresponding optimization problem. The proposed algorithm, termed ProjDiff, effectively harnesses the prior information and the denoising capability of a pre-trained diffusion model within the optimization framework. Extensive experiments on the image restoration tasks and source separation and partial generation tasks demonstrate that ProjDiff exhibits superior performance across various linear and nonlinear inverse problems, highlighting its potential for practical applications. Code is available at https://github.com/weigerzan/ProjDiff/.
Authors: Boya Ma, Maxwell McNeil, Abram Magner, Petko Bogdanov
Abstract: The sparse dictionary coding framework represents signals as a linear combination of a few predefined dictionary atoms. It has been employed for images, time series, graph signals and recently for 2-way (or 2D) spatio-temporal data employing jointly temporal and spatial dictionaries. Large and over-complete dictionaries enable high-quality models, but also pose scalability challenges which are exacerbated in multi-dictionary settings. Hence, an important problem that we address in this paper is: How to scale multi-dictionary coding for large dictionaries and datasets? We propose a multi-dictionary atom selection technique for low-rank sparse coding named LRMDS. To enable scalability to large dictionaries and datasets, it progressively selects groups of row-column atom pairs based on their alignment with the data and performs convex relaxation coding via the corresponding sub-dictionaries. We demonstrate both theoretically and experimentally that when the data has a low-rank encoding with a sparse subset of the atoms, LRMDS is able to select them with strong guarantees under mild assumptions. Furthermore, we demonstrate the scalability and quality of LRMDS in both synthetic and real-world datasets and for a range of coding dictionaries. It achieves 3X to 10X speed-up compared to baselines, while obtaining up to two orders of magnitude improvement in representation quality on some of the real world datasets given a fixed target number of atoms.
Authors: Andres Altieri, Marco Romanelli, Georg Pichler, Florence Alberge, Pablo Piantanida
Abstract: This paper tackles the challenge of detecting unreliable behavior in regression algorithms, which may arise from intrinsic variability (e.g., aleatoric uncertainty) or modeling errors (e.g., model uncertainty). First, we formally introduce the notion of unreliability in regression, i.e., when the output of the regressor exceeds a specified discrepancy (or error). Then, using powerful tools for probabilistic modeling, we estimate the discrepancy density, and we measure its statistical diversity using our proposed metric for statistical dissimilarity. In turn, this allows us to derive a data-driven score that expresses the uncertainty of the regression outcome. We show empirical improvements in error detection for multiple regression tasks, consistently outperforming popular baseline approaches, and contributing to the broader field of uncertainty quantification and safe machine learning systems. Our code is available at https://zenodo.org/records/11281964.
Authors: Taewon Park, Hyun-Chul Kim, Minho Lee
Abstract: Neuro-symbolic neural networks have been extensively studied to integrate symbolic operations with neural networks, thereby improving systematic generalization. Specifically, Tensor Product Representation (TPR) framework enables neural networks to perform differentiable symbolic operations by encoding the symbolic structure of data within vector spaces. However, TPR-based neural networks often struggle to decompose unseen data into structured TPR representations, undermining their symbolic operations. To address this decomposition problem, we propose a Discrete Dictionary-based Decomposition (D3) layer designed to enhance the decomposition capabilities of TPR-based models. D3 employs discrete, learnable key-value dictionaries trained to capture symbolic features essential for decomposition operations. It leverages the prior knowledge acquired during training to generate structured TPR representations by mapping input data to pre-learned symbolic features within these dictionaries. D3 is a straightforward drop-in layer that can be seamlessly integrated into any TPR-based model without modifications. Our experimental results demonstrate that D3 significantly improves the systematic generalization of various TPR-based models while requiring fewer additional parameters. Notably, D3 outperforms baseline models on the synthetic task that demands the systematic decomposition of unseen combinatorial data.
Authors: Yushi Sun, Jiachuan Wang, Peng Cheng, Libin Zheng, Lei Chen, Jian Yin
Abstract: Annotation through crowdsourcing draws incremental attention, which relies on an effective selection scheme given a pool of workers. Existing methods propose to select workers based on their performance on tasks with ground truth, while two important points are missed. 1) The historical performances of workers in other tasks. In real-world scenarios, workers need to solve a new task whose correlation with previous tasks is not well-known before the training, which is called cross-domain. 2) The dynamic worker performance as workers will learn from the ground truth. In this paper, we consider both factors in designing an allocation scheme named cross-domain-aware worker selection with training approach. Our approach proposes two estimation modules to both statistically analyze the cross-domain correlation and simulate the learning gain of workers dynamically. A framework with a theoretical analysis of the worker elimination process is given. To validate the effectiveness of our methods, we collect two novel real-world datasets and generate synthetic datasets. The experiment results show that our method outperforms the baselines on both real-world and synthetic datasets.
Authors: Hongbin Liu, Moyang Guo, Zhengyuan Jiang, Lun Wang, Neil Zhenqiang Gong
Abstract: The increasing realism of synthetic speech, driven by advancements in text-to-speech models, raises ethical concerns regarding impersonation and disinformation. Audio watermarking offers a promising solution via embedding human-imperceptible watermarks into AI-generated audios. However, the robustness of audio watermarking against common/adversarial perturbations remains understudied. We present AudioMarkBench, the first systematic benchmark for evaluating the robustness of audio watermarking against watermark removal and watermark forgery. AudioMarkBench includes a new dataset created from Common-Voice across languages, biological sexes, and ages, 3 state-of-the-art watermarking methods, and 15 types of perturbations. We benchmark the robustness of these methods against the perturbations in no-box, black-box, and white-box settings. Our findings highlight the vulnerabilities of current watermarking techniques and emphasize the need for more robust and fair audio watermarking solutions. Our dataset and code are publicly available at \url{https://github.com/moyangkuo/AudioMarkBench}.
Authors: Yair Davidson, Nadav Dym
Abstract: Famously, multiset neural networks based on sum-pooling can separate all distinct multisets, and as a result can be used by message passing neural networks (MPNNs) to separate all pairs of graphs that can be separated by the 1-WL graph isomorphism test. However, the quality of this separation may be very weak, to the extent that the embeddings of "separable" multisets and graphs might even be considered identical when using fixed finite precision. In this work, we propose to fully analyze the separation quality of multiset models and MPNNs via a novel adaptation of Lipschitz and H\"{o}lder continuity to parametric functions. We prove that common sum-based models are lower-H\"{o}lder continuous, with a H\"{o}lder exponent that decays rapidly with the network's depth. Our analysis leads to adversarial examples of graphs which can be separated by three 1-WL iterations, but cannot be separated in practice by standard maximally powerful MPNNs. To remedy this, we propose two novel MPNNs with improved separation quality, one of which is lower Lipschitz continuous. We show these MPNNs can easily classify our adversarial examples, and compare favorably with standard MPNNs on standard graph learning tasks.
Authors: Zhang Liu, Hongyang Du, Junzhe Lin, Zhibin Gao, Lianfen Huang, Seyyedali Hosseinalipour, Dusit Niyato
Abstract: The rapid advancement of Artificial Intelligence (AI) has introduced Deep Neural Network (DNN)-based tasks to the ecosystem of vehicular networks. These tasks are often computation-intensive, requiring substantial computation resources, which are beyond the capability of a single vehicle. To address this challenge, Vehicular Edge Computing (VEC) has emerged as a solution, offering computing services for DNN-based tasks through resource pooling via Vehicle-to-Vehicle/Infrastructure (V2V/V2I) communications. In this paper, we formulate the problem of joint DNN partitioning, task offloading, and resource allocation in VEC as a dynamic long-term optimization. Our objective is to minimize the DNN-based task completion time while guaranteeing the system stability over time. To this end, we first leverage a Lyapunov optimization technique to decouple the original long-term optimization with stability constraints into a per-slot deterministic problem. Afterwards, we propose a Multi-Agent Diffusion-based Deep Reinforcement Learning (MAD2RL) algorithm, incorporating the innovative use of diffusion models to determine the optimal DNN partitioning and task offloading decisions. Furthermore, we integrate convex optimization techniques into MAD2RL as a subroutine to allocate computation resources, enhancing the learning efficiency. Through simulations under real-world movement traces of vehicles, we demonstrate the superior performance of our proposed algorithm compared to existing benchmark solutions.
Authors: Zixiao Wang, Jingwei Zhang, Wenqian Zhao, Farzan Farnia, Bei Yu
Abstract: Few-shot gradient methods have been extensively utilized in existing model pruning methods, where the model weights are regarded as static values and the effects of potential weight perturbations are not considered. However, the widely used large language models (LLMs) have several billion model parameters, which could increase the fragility of few-shot gradient pruning. In this work, we experimentally show that one-shot gradient pruning algorithms could lead to unstable results under perturbations to model weights. And the minor error of switching between data formats bfloat16 and float16 could result in drastically different outcomes. To address such instabilities, we leverage optimization analysis and propose an LLM structural pruning method, called MoreauPruner, with provable robustness against weight perturbations. In MoreauPruner, the model weight importance is estimated based on the neural network's Moreau envelope, which can be flexibly combined with $\ell_1$-norm regularization techniques to induce the sparsity required in the pruning task. We extensively evaluate the MoreauPruner algorithm on several well-known LLMs, including LLaMA-7B, LLaMA-13B, LLaMA3-8B, and Vicuna-7B. Our numerical results suggest the robustness of MoreauPruner against weight perturbations, and indicate the MoreauPruner's successful accuracy-based scores in comparison to several existing pruning methods. We have released the code in \url{https://github.com/ShiningSord/MoreauPruner}.
Authors: Zhengming Chen, Ruichu Cai, Feng Xie, Jie Qiao, Anpeng Wu, Zijian Li, Zhifeng Hao, Kun Zhang
Abstract: Unobserved discrete data are ubiquitous in many scientific disciplines, and how to learn the causal structure of these latent variables is crucial for uncovering data patterns. Most studies focus on the linear latent variable model or impose strict constraints on latent structures, which fail to address cases in discrete data involving non-linear relationships or complex latent structures. To achieve this, we explore a tensor rank condition on contingency tables for an observed variable set $\mathbf{X}_p$, showing that the rank is determined by the minimum support of a specific conditional set (not necessary in $\mathbf{X}_p$) that d-separates all variables in $\mathbf{X}_p$. By this, one can locate the latent variable through probing the rank on different observed variables set, and further identify the latent causal structure under some structure assumptions. We present the corresponding identification algorithm and conduct simulated experiments to verify the effectiveness of our method. In general, our results elegantly extend the identification boundary for causal discovery with discrete latent variables and expand the application scope of causal discovery with latent variables.
Authors: Xuefeng Liu, Chih-chan Tien, Peng Ding, Songhao Jiang, Rick L. Stevens
Abstract: The objective of drug discovery is to identify chemical compounds that possess specific pharmaceutical properties toward a binding target. Existing large language models (LLMS) can achieve high token matching scores in terms of likelihood for molecule generation. However, relying solely on LLM decoding often results in the generation of molecules that are either invalid due to a single misused token, or suboptimal due to unbalanced exploration and exploitation as a consequence of the LLMs prior experience. Here we propose ERP, Entropy-Reinforced Planning for Transformer Decoding, which employs an entropy-reinforced planning algorithm to enhance the Transformer decoding process and strike a balance between exploitation and exploration. ERP aims to achieve improvements in multiple properties compared to direct sampling from the Transformer. We evaluated ERP on the SARS-CoV-2 virus (3CLPro) and human cancer cell target protein (RTCB) benchmarks and demonstrated that, in both benchmarks, ERP consistently outperforms the current state-of-the-art algorithm by 1-5 percent, and baselines by 5-10 percent, respectively. Moreover, such improvement is robust across Transformer models trained with different objectives. Finally, to further illustrate the capabilities of ERP, we tested our algorithm on three code generation benchmarks and outperformed the current state-of-the-art approach as well. Our code is publicly available at: https://github.com/xuefeng-cs/ERP.
Authors: Chenxia Tang
Abstract: In this paper, we attempt to address the challenge of applying Neural Architecture Search (NAS) algorithms, specifically the Differentiable Architecture Search (DARTS), to long-tailed datasets where class distribution is highly imbalanced. We observe that traditional re-sampling and re-weighting techniques, which are effective in standard classification tasks, lead to performance degradation when combined with DARTS. To mitigate this, we propose a novel adaptive learning rate scheduling strategy tailored for the architecture parameters of DARTS when integrated with the Bilateral Branch Network (BBN) for handling imbalanced datasets. Our approach dynamically adjusts the learning rate of the architecture parameters based on the training epoch, preventing the disruption of well-trained representations in the later stages of training. Additionally, we explore the impact of branch mixing factors on the algorithm's performance. Through extensive experiments on the CIFAR-10 dataset with an artificially induced long-tailed distribution, we demonstrate that our method achieves comparable accuracy to using DARTS alone. And the experiment results suggest that re-sampling methods inherently harm the performance of the DARTS algorithm. Our findings highlight the importance of careful data augment when applying DNAS to imbalanced learning scenarios.
Authors: Yi Zeng, Xuelin Yang, Li Chen, Cristian Canton Ferrer, Ming Jin, Michael I. Jordan, Ruoxi Jia
Abstract: To address issues of group-level fairness in machine learning, it is natural to adjust model parameters based on specific fairness objectives over a sensitive-attributed validation set. Such an adjustment procedure can be cast within a meta-learning framework. However, naive integration of fairness goals via meta-learning can cause hypergradient conflicts for subgroups, resulting in unstable convergence and compromising model performance and fairness. To navigate this issue, we frame the resolution of hypergradient conflicts as a multi-player cooperative bargaining game. We introduce a two-stage meta-learning framework in which the first stage involves the use of a Nash Bargaining Solution (NBS) to resolve hypergradient conflicts and steer the model toward the Pareto front, and the second stage optimizes with respect to specific fairness goals. Our method is supported by theoretical results, notably a proof of the NBS for gradient aggregation free from linear independence assumptions, a proof of Pareto improvement, and a proof of monotonic improvement in validation loss. We also show empirical effects across various fairness objectives in six key fairness datasets and two image classification tasks.
Authors: Briti Gangopadhyay, Zhao Wang, Jia-Fong Yeh, Shingo Takamatsu
Abstract: With the ability to learn from static datasets, Offline Reinforcement Learning (RL) emerges as a compelling avenue for real-world applications. However, state-of-the-art offline RL algorithms perform sub-optimally when confronted with limited data confined to specific regions within the state space. The performance degradation is attributed to the inability of offline RL algorithms to learn appropriate actions for rare or unseen observations. This paper proposes a novel domain knowledge-based regularization technique and adaptively refines the initial domain knowledge to considerably boost performance in limited data with partially omitted states. The key insight is that the regularization term mitigates erroneous actions for sparse samples and unobserved states covered by domain knowledge. Empirical evaluations on standard discrete environment datasets demonstrate a substantial average performance increase of at least 27% compared to existing offline RL algorithms operating on limited data.
Authors: Alexandra Hotti, Oskar Kviman, Ricky Mol\'en, V\'ictor Elvira, Jens Lagergren
Abstract: Mixture variational distributions in black box variational inference (BBVI) have demonstrated impressive results in challenging density estimation tasks. However, currently scaling the number of mixture components can lead to a linear increase in the number of learnable parameters and a quadratic increase in inference time due to the evaluation of the evidence lower bound (ELBO). Our two key contributions address these limitations. First, we introduce the novel Multiple Importance Sampling Variational Autoencoder (MISVAE), which amortizes the mapping from input to mixture-parameter space using one-hot encodings. Fortunately, with MISVAE, each additional mixture component incurs a negligible increase in network parameters. Second, we construct two new estimators of the ELBO for mixtures in BBVI, enabling a tremendous reduction in inference time with marginal or even improved impact on performance. Collectively, our contributions enable scalability to hundreds of mixture components and provide superior estimation performance in shorter time, with fewer network parameters compared to previous Mixture VAEs. Experimenting with MISVAE, we achieve astonishing, SOTA results on MNIST. Furthermore, we empirically validate our estimators in other BBVI settings, including Bayesian phylogenetic inference, where we improve inference times for the SOTA mixture model on eight data sets.
Authors: Leonardo Marini, Linus Gissl\'en, Alessandro Sestini
Abstract: In games, and more generally in the field of software development, early detection of bugs is vital to maintain a high quality of the final product. Automated tests are a powerful tool that can catch a problem earlier in development by executing periodically. As an example, when new code is submitted to the code base, a new automated test verifies these changes. However, identifying the specific change responsible for a test failure becomes harder when dealing with batches of changes -- especially in the case of a large-scale project such as a AAA game, where thousands of people contribute to a single code base. This paper proposes a new approach to automatically identify which change in the code caused a test to fail. The method leverages Large Language Models (LLMs) to associate error messages with the corresponding code changes causing the failure. We investigate the effectiveness of our approach with quantitative and qualitative evaluations. Our approach reaches an accuracy of 71% in our newly created dataset, which comprises issues reported by developers at EA over a period of one year. We further evaluated our model through a user study to assess the utility and usability of the tool from a developer perspective, resulting in a significant reduction in time -- up to 60% -- spent investigating issues.
Authors: Soham Mukherjee, Shreyas N. Samaga, Cheng Xin, Steve Oudot, Tamal K. Dey
Abstract: End-to-end topological learning using 1-parameter persistence is well-known. We show that the framework can be enhanced using 2-parameter persistence by adopting a recently introduced 2-parameter persistence based vectorization technique called GRIL. We establish a theoretical foundation of differentiating GRIL producing D-GRIL. We show that D-GRIL can be used to learn a bifiltration function on standard benchmark graph datasets. Further, we exhibit that this framework can be applied in the context of bio-activity prediction in drug discovery.
Authors: Van-Anh Nguyen, Quyen Tran, Tuan Truong, Thanh-Toan Do, Dinh Phung, Trung Le
Abstract: Sharpness-aware minimization (SAM) has been instrumental in improving deep neural network training by minimizing both the training loss and the sharpness of the loss landscape, leading the model into flatter minima that are associated with better generalization properties. In another aspect, Model-Agnostic Meta-Learning (MAML) is a framework designed to improve the adaptability of models. MAML optimizes a set of meta-models that are specifically tailored for quick adaptation to multiple tasks with minimal fine-tuning steps and can generalize well with limited data. In this work, we explore the connection between SAM and MAML, particularly in terms of enhancing model generalization. We introduce Agnostic-SAM, a novel approach that combines the principles of both SAM and MAML. Agnostic-SAM adapts the core idea of SAM by optimizing the model towards wider local minima using training data, while concurrently maintaining low loss values on validation data. By doing so, it seeks flatter minima that are not only robust to small perturbations but also less vulnerable to data distributional shift problems. Our experimental results demonstrate that Agnostic-SAM significantly improves generalization over baselines across a range of datasets and under challenging conditions such as noisy labels and data limitation.
Authors: Alexander Pluska, Pascal Welke, Thomas G\"artner, Sagar Malhotra
Abstract: We present a logic based interpretable model for learning on graphs and an algorithm to distill this model from a Graph Neural Network (GNN). Recent results have shown connections between the expressivity of GNNs and the two-variable fragment of first-order logic with counting quantifiers (C2). We introduce a decision-tree based model which leverages an extension of C2 to distill interpretable logical classifiers from GNNs. We test our approach on multiple GNN architectures. The distilled models are interpretable, succinct, and attain similar accuracy to the underlying GNN. Furthermore, when the ground truth is expressible in C2, our approach outperforms the GNN.
Authors: Avinash Kori, Francesco Locatello, Ainkaran Santhirasekaram, Francesca Toni, Ben Glocker, Fabio De Sousa Ribeiro
Abstract: Learning modular object-centric representations is crucial for systematic generalization. Existing methods show promising object-binding capabilities empirically, but theoretical identifiability guarantees remain relatively underdeveloped. Understanding when object-centric representations can theoretically be identified is crucial for scaling slot-based methods to high-dimensional images with correctness guarantees. To that end, we propose a probabilistic slot-attention algorithm that imposes an aggregate mixture prior over object-centric slot representations, thereby providing slot identifiability guarantees without supervision, up to an equivalence relation. We provide empirical verification of our theoretical identifiability result using both simple 2-dimensional data and high-resolution imaging datasets.
Authors: Som Sagar, Aditya Taparia, Ransalu Senanayake
Abstract: In large deep neural networks that seem to perform surprisingly well on many tasks, we also observe a few failures related to accuracy, social biases, and alignment with human values, among others. Therefore, before deploying these models, it is crucial to characterize this failure landscape for engineers to debug and legislative bodies to audit models. Nevertheless, it is infeasible to exhaustively test for all possible combinations of factors that could lead to a model's failure. In this paper, we introduce a post-hoc method that utilizes \emph{deep reinforcement learning} to explore and construct the landscape of failure modes in pre-trained discriminative and generative models. With the aid of limited human feedback, we then demonstrate how to restructure the failure landscape to be more desirable by moving away from the discovered failure modes. We empirically show the effectiveness of the proposed method across common Computer Vision, Natural Language Processing, and Vision-Language tasks.
Authors: Ali Elkeshawy, Ha\"Ifa Far\`es, Amor Nafkha
Abstract: Modern wireless networks must reliably support a wide array of connectivity demands, encompassing various user needs across diverse scenarios. Machine-Type Communication (mMTC) is pivotal in these networks, particularly given the challenges posed by massive connectivity and sporadic device activation patterns. Traditional grant-based random access (GB-RA) protocols face limitations due to constrained orthogonal preamble resources. In response, the adoption of grant-free random access (GF-RA) protocols offers a promising solution. This paper explores the application of supervised machine learning models to tackle activity detection issues in scenarios where non-orthogonal preamble design is considered. We introduce a data-driven algorithm specifically designed for user activity detection in Cell-Free Massive Multiple-Input Multiple-Output (CF-mMIMO) networks operating under GF-RA protocols. Additionally, this study presents a novel clustering strategy that simplifies and enhances activity detection accuracy, assesses the resilience of the algorithm to input perturbations, and investigates the effects of adopting floating-to-fixed-point conversion on algorithm performance. Simulations conducted adhere to 3GPP standards, ensuring accurate channel modeling, and employ a deep learning approach to boost the detection capabilities of mMTC GF-RA devices. The results are compelling: the algorithm achieves an exceptional 99\% accuracy rate, confirming its efficacy in real-world applications.
Authors: Tianqi Chen, Zhe Li, Weixiang Xu, Zeyu Zhu, Dong Li, Lu Tian, Emad Barsoum, Peisong Wang, Jian Cheng
Abstract: Large language models (LLMs) have achieved remarkable performance on Natural Language Processing (NLP) tasks, but they are hindered by high computational costs and memory requirements. Ternarization, an extreme form of quantization, offers a solution by reducing memory usage and enabling energy-efficient floating-point additions. However, applying ternarization to LLMs faces challenges stemming from outliers in both weights and activations. In this work, observing asymmetric outliers and non-zero means in weights, we introduce Dual Learnable Ternarization (DLT), which enables both scales and shifts to be learnable. We also propose Outlier-Friendly Feature Knowledge Distillation (OFF) to recover the information lost in extremely low-bit quantization. The proposed OFF can incorporate semantic information and is insensitive to outliers. At the core of OFF is maximizing the mutual information between features in ternarized and floating-point models using cosine similarity. Extensive experiments demonstrate that our TernaryLLM surpasses previous low-bit quantization methods on the standard text generation and zero-shot benchmarks for different LLM families. Specifically, for one of the most powerful open-source models, LLaMA-3, our approach (W1.58A16) outperforms the previous state-of-the-art method (W2A16) by 5.8 in terms of perplexity on C4 and by 8.2% in terms of average accuracy on zero-shot tasks.
Authors: Zhiyu Shao, Qiong Wu, Pingyi Fan, Nan Cheng, Wen Chen, Jiangzhou Wang, Khaled B. Letaief
Abstract: This work aims to investigate semantic communication in high-speed mobile Internet of vehicles (IoV) environments, with a focus on the spectrum sharing between vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communications. We specifically address spectrum scarcity and network traffic and then propose a semantic-aware spectrum sharing algorithm (SSS) based on the deep reinforcement learning (DRL) soft actor-critic (SAC) approach. Firstly, we delve into the extraction of semantic information. Secondly, we redefine metrics for semantic information in V2V and V2I spectrum sharing in IoV environments, introducing high-speed semantic spectrum efficiency (HSSE) and semantic transmission rate (HSR). Finally, we employ the SAC algorithm for decision optimization in V2V and V2I spectrum sharing based on semantic information. This optimization encompasses the optimal link of V2V and V2I sharing strategies, the transmission power for vehicles sending semantic information and the length of transmitted semantic symbols, aiming at maximizing HSSE of V2I and enhancing success rate of effective semantic information transmission (SRS) of V2V. Experimental results demonstrate that the SSS algorithm outperforms other baseline algorithms, including other traditional-communication-based spectrum sharing algorithms and spectrum sharing algorithm using other reinforcement learning approaches. The SSS algorithm exhibits a 15% increase in HSSE and approximately a 7% increase in SRS.
Authors: Hanna Yukhymenko, Robin Staab, Mark Vero, Martin Vechev
Abstract: Recently, powerful Large Language Models (LLMs) have become easily accessible to hundreds of millions of users worldwide. However, their strong capabilities and vast world knowledge do not come without associated privacy risks. In this work, we focus on the emerging privacy threat LLMs pose - the ability to accurately infer personal information from online texts. Despite the growing importance of LLM-based author profiling, research in this area has been hampered by a lack of suitable public datasets, largely due to ethical and privacy concerns associated with real personal data. In this work, we take two steps to address this problem: (i) we construct a simulation framework for the popular social media platform Reddit using LLM agents seeded with synthetic personal profiles; (ii) using this framework, we generate SynthPAI, a diverse synthetic dataset of over 7800 comments manually labeled for personal attributes. We validate our dataset with a human study showing that humans barely outperform random guessing on the task of distinguishing our synthetic comments from real ones. Further, we verify that our dataset enables meaningful personal attribute inference research by showing across 18 state-of-the-art LLMs that our synthetic comments allow us to draw the same conclusions as real-world data. Together, this indicates that our dataset and pipeline provide a strong and privacy-preserving basis for future research toward understanding and mitigating the inference-based privacy threats LLMs pose.
Authors: Sean Lovett, Miha Zgubic, Sofia Liguori, Sephora Madjiheurem, Hamish Tomlinson, Sophie Elster, Chris Apps, Sims Witherspoon, Luis Piloto
Abstract: Solving the AC optimal power flow problem (AC-OPF) is critical to the efficient and safe planning and operation of power grids. Small efficiency improvements in this domain have the potential to lead to billions of dollars of cost savings, and significant reductions in emissions from fossil fuel generators. Recent work on data-driven solution methods for AC-OPF shows the potential for large speed improvements compared to traditional solvers; however, no large-scale open datasets for this problem exist. We present the largest readily-available collection of solved AC-OPF problems to date. This collection is orders of magnitude larger than existing readily-available datasets, allowing training of high-capacity data-driven models. Uniquely, it includes topological perturbations - a critical requirement for usage in realistic power grid operations. We hope this resource will spur the community to scale research to larger grid sizes with variable topology.
Authors: Artyom Gadetsky, Yulun Jiang, Maria Brbic
Abstract: Foundation vision-language models have enabled remarkable zero-shot transferability of the pre-trained representations to a wide range of downstream tasks. However, to solve a new task, zero-shot transfer still necessitates human guidance to define visual categories that appear in the data. Here, we show that fully unsupervised transfer emerges when searching for the labeling of a dataset that induces maximal margin classifiers in representation spaces of different foundation models. We present TURTLE, a fully unsupervised method that effectively employs this guiding principle to uncover the underlying labeling of a downstream dataset without any supervision and task-specific representation learning. We evaluate TURTLE on a diverse benchmark suite of 26 datasets and show that it achieves new state-of-the-art unsupervised performance. Furthermore, TURTLE, although being fully unsupervised, outperforms zero-shot transfer baselines on a wide range of datasets. In particular, TURTLE matches the average performance of CLIP zero-shot on 26 datasets by employing the same representation space, spanning a wide range of architectures and model sizes. By guiding the search for the underlying labeling using the representation spaces of two foundation models, TURTLE surpasses zero-shot transfer and unsupervised prompt tuning baselines, demonstrating the surprising power and effectiveness of unsupervised transfer.
Authors: Vijaya Krishna Yalavarthi, Randolf Scholz, Kiran Madhusudhanan, Stefan Born, Lars Schmidt-Thieme
Abstract: Probabilistic forecasting models for joint distributions of targets in irregular time series are a heavily under-researched area in machine learning with, to the best of our knowledge, only three models researched so far: GPR, the Gaussian Process Regression model~\citep{Durichen2015.Multitask}, TACTiS, the Transformer-Attentional Copulas for Time Series~\cite{Drouin2022.Tactis, ashok2024tactis} and ProFITi \citep{Yalavarthi2024.Probabilistica}, a multivariate normalizing flow model based on invertible attention layers. While ProFITi, thanks to using multivariate normalizing flows, is the more expressive model with better predictive performance, we will show that it suffers from marginalization inconsistency: it does not guarantee that the marginal distributions of a subset of variables in its predictive distributions coincide with the directly predicted distributions of these variables. Also, TACTiS does not provide any guarantees for marginalization consistency. We develop a novel probabilistic irregular time series forecasting model, Marginalization Consistent Mixtures of Separable Flows (moses), that mixes several normalizing flows with (i) Gaussian Processes with full covariance matrix as source distributions and (ii) a separable invertible transformation, aiming to combine the expressivity of normalizing flows with the marginalization consistency of Gaussians. In experiments on four different datasets we show that moses outperforms other state-of-the-art marginalization consistent models, performs on par with ProFITi, but different from ProFITi, guarantee marginalization consistency.
Authors: Yuda Song, J. Andrew Bagnell, Aarti Singh
Abstract: We consider the hybrid reinforcement learning setting where the agent has access to both offline data and online interactive access. While Reinforcement Learning (RL) research typically assumes offline data contains complete action, reward and transition information, datasets with only state information (also known as observation-only datasets) are more general, abundant and practical. This motivates our study of the hybrid RL with observation-only offline dataset framework. While the task of competing with the best policy "covered" by the offline data can be solved if a reset model of the environment is provided (i.e., one that can be reset to any state), we show evidence of hardness when only given the weaker trace model (i.e., one can only reset to the initial states and must produce full traces through the environment), without further assumption of admissibility of the offline data. Under the admissibility assumptions -- that the offline data could actually be produced by the policy class we consider -- we propose the first algorithm in the trace model setting that provably matches the performance of algorithms that leverage a reset model. We also perform proof-of-concept experiments that suggest the effectiveness of our algorithm in practice.
Authors: Alexandra Gessner, Sebastian W. Ober, Owen Vickery, Dino Ogli\'c, Talip U\c{c}ar
Abstract: The primary objective of most lead optimization campaigns is to enhance the binding affinity of ligands. For large molecules such as antibodies, identifying mutations that enhance antibody affinity is particularly challenging due to the combinatorial explosion of potential mutations. When the structure of the antibody-antigen complex is available, relative binding free energy (RBFE) methods can offer valuable insights into how different mutations will impact the potency and selectivity of a drug candidate, thereby reducing the reliance on costly and time-consuming wet-lab experiments. However, accurately simulating the physics of large molecules is computationally intensive. We present an active learning framework that iteratively proposes promising sequences for simulators to evaluate, thereby accelerating the search for improved binders. We explore different modeling approaches to identify the most effective surrogate model for this task, and evaluate our framework both using pre-computed pools of data and in a realistic full-loop setting.
Authors: Ross Irwin, Alessandro Tibo, Jon-Paul Janet, Simon Olsson
Abstract: Generative models for 3D drug design have gained prominence recently for their potential to design ligands directly within protein pockets. Current approaches, however, often suffer from very slow sampling times or generate molecules with poor chemical validity. Addressing these limitations, we propose Semla, a scalable E(3)-equivariant message passing architecture. We further introduce a molecular generation model, MolFlow, which is trained using flow matching along with scale optimal transport, a novel extension of equivariant optimal transport. Our model produces state-of-the-art results on benchmark datasets with just 100 sampling steps. Crucially, MolFlow samples high quality molecules with as few as 20 steps, corresponding to a two order-of-magnitude speed-up compared to state-of-the-art, without sacrificing performance. Furthermore, we highlight limitations of current evaluation methods for 3D generation and propose new benchmark metrics for unconditional molecular generators. Finally, using these new metrics, we compare our model's ability to generate high quality samples against current approaches and further demonstrate MolFlow's strong performance.
Authors: Marcus Williams
Abstract: This paper presents Multi-Objective Reinforcement Learning from AI Feedback (MORLAIF), a novel approach to improving the alignment and performance of language models trained using reinforcement learning from AI feedback (RLAIF). In contrast to standard approaches that train a single preference model to represent all human preferences, MORLAIF decomposes this task into multiple simpler principles, such as toxicity, factuality, and sycophancy. Separate preference models are trained for each principle using feedback from GPT-3.5-Turbo. These preference model scores are then combined using different scalarization functions to provide a reward signal for Proximal Policy Optimization (PPO) training of the target language model. Our experiments indicate that MORLAIF outperforms the standard RLAIF baselines and that MORLAIF can be used to align larger language models using smaller ones. Surprisingly, the choice of scalarization function does not appear to significantly impact the results.
Authors: De Li, Xianxian Li, Zeming Gan, Qiyu Li, Bin Qu, Jinyan Wang
Abstract: Graph neural networks based on message-passing mechanisms have achieved advanced results in graph classification tasks. However, their generalization performance degrades when noisy labels are present in the training data. Most existing noisy labeling approaches focus on the visual domain or graph node classification tasks and analyze the impact of noisy labels only from a utility perspective. Unlike existing work, in this paper, we measure the effects of noise labels on graph classification from data privacy and model utility perspectives. We find that noise labels degrade the model's generalization performance and enhance the ability of membership inference attacks on graph data privacy. To this end, we propose the robust graph neural network approach with noisy labeled graph classification. Specifically, we first accurately filter the noisy samples by high-confidence samples and the first feature principal component vector of each class. Then, the robust principal component vectors and the model output under data augmentation are utilized to achieve noise label correction guided by dual spatial information. Finally, supervised graph contrastive learning is introduced to enhance the embedding quality of the model and protect the privacy of the training graph data. The utility and privacy of the proposed method are validated by comparing twelve different methods on eight real graph classification datasets. Compared with the state-of-the-art methods, the RGLC method achieves at most and at least 7.8% and 0.8% performance gain at 30% noisy labeling rate, respectively, and reduces the accuracy of privacy attacks to below 60%.
Authors: Shikai Qiu, Boran Han, Danielle C. Maddix, Shuai Zhang, Yuyang Wang, Andrew Gordon Wilson
Abstract: How do we transfer the relevant knowledge from ever larger foundation models into small, task-specific downstream models that can run at much lower costs? Standard transfer learning using pre-trained weights as the initialization transfers limited information and commits us to often massive pre-trained architectures. This procedure also precludes combining multiple pre-trained models that learn complementary information. To address these shortcomings, we introduce Adaptive Feature Transfer (AFT). Instead of transferring weights, AFT operates purely on features, thereby decoupling the choice of the pre-trained model from the smaller downstream model. Rather than indiscriminately compressing all pre-trained features, AFT adaptively transfers pre-trained features that are most useful for performing the downstream task, using a simple regularization that adds minimal overhead. Across multiple vision, language, and multi-modal datasets, AFT achieves significantly better downstream performance compared to alternatives with a similar computational cost. Furthermore, AFT reliably translates improvement in pre-trained models into improvement in downstream performance, even if the downstream model is over $50\times$ smaller, and can effectively transfer complementary information learned by multiple pre-trained models.
Authors: Zijian Hei, Weiling Liu, Wenjie Ou, Juyi Qiao, Junming Jiao, Zhiqing Zhu, Guowen Song
Abstract: Retrieval-Augmented Generation (RAG) has significantly demonstrated the performance of Large Language Models (LLMs) in the knowledge-intensive tasks, such as Question-Answering (QA). RAG expands the query context by incorporating external knowledge bases to enhance the response accuracy. However, it would be inefficient to access LLMs multiple times for each query and unreliable to retrieve all the relevant documents by a single query. We find that even though there is low relevance between some critical documents and query, it is possible to retrieve the remaining documents by combining parts of the documents with the query. To mine the relevance, a two-stage retrieval framework called Dynamic-Relevant Retrieval-Augmented Generation (DR-RAG) is proposed to improve document retrieval recall and the accuracy of answers while maintaining efficiency. Also, a small classifier is applied to two different selection strategies to determine the contribution of the retrieved documents to answering the query and retrieve the relatively relevant documents. Meanwhile, DR-RAG call the LLMs only once, which significantly improves the efficiency of the experiment. The experimental results on multi-hop QA datasets show that DR-RAG can significantly improve the accuracy of the answers and achieve new progress in QA systems.
Authors: Ruxin Zheng, Shunqiao Sun, Holger Caesar, Honglei Chen, Jian Li
Abstract: Millimeter-wave (mmWave) radars are indispensable for perception tasks of autonomous vehicles, thanks to their resilience in challenging weather conditions. Yet, their deployment is often limited by insufficient spatial resolution for precise semantic scene interpretation. Classical super-resolution techniques adapted from optical imaging inadequately address the distinct characteristics of radar signal data. In response, our study redefines radar imaging super-resolution as a one-dimensional (1D) signal super-resolution spectra estimation problem by harnessing the radar signal processing domain knowledge, introducing innovative data normalization and a domain-informed signal-to-noise ratio (SNR)-guided loss function. Our tailored deep learning network for automotive radar imaging exhibits remarkable scalability, parameter efficiency and fast inference speed, alongside enhanced performance in terms of radar imaging quality and resolution. Extensive testing confirms that our SR-SPECNet sets a new benchmark in producing high-resolution radar range-azimuth images, outperforming existing methods across varied antenna configurations and dataset sizes. Source code and new radar dataset will be made publicly available online.
Authors: William Murphy, Nikolaus Holzer, Nathan Koenig, Leyi Cui, Raven Rothkopf, Feitong Qiao, Mark Santolucito
Abstract: Temporal logics are powerful tools that are widely used for the synthesis and verification of reactive systems. The recent progress on Large Language Models (LLMs) has the potential to make the process of writing such specifications more accessible. However, writing specifications in temporal logics remains challenging for all but the most expert users. A key question in using LLMs for temporal logic specification engineering is to understand what kind of guidance is most helpful to the LLM and the users to easily produce specifications. Looking specifically at the problem of reactive program synthesis, we explore the impact of providing an LLM with guidance on the separation of control and data--making explicit for the LLM what functionality is relevant for the specification, and treating the remaining functionality as an implementation detail for a series of pre-defined functions and predicates. We present a benchmark set and find that this separation of concerns improves specification generation. Our benchmark provides a test set against which to verify future work in LLM generation of temporal logic specifications.
Authors: Elika Bozorgi, Sakher Khalil Alqaiidi, Afsaneh Shams, Hamid Reza Arabnia, Krzysztof Kochut
Abstract: Machine learning, deep learning, and NLP methods on knowledge graphs are present in different fields and have important roles in various domains from self-driving cars to friend recommendations on social media platforms. However, to apply these methods to knowledge graphs, the data usually needs to be in an acceptable size and format. In fact, knowledge graphs normally have high dimensions and therefore we need to transform them to a low-dimensional vector space. An embedding is a low-dimensional space into which you can translate high dimensional vectors in a way that intrinsic features of the input data are preserved. In this review, we first explain knowledge graphs and their embedding and then review some of the random walk-based embedding methods that have been developed recently.
Authors: Xiaohan Huang, Dongjie Wang, Zhiyuan Ning, Ziyue Qiao, Qingqing Long, Haowei Zhu, Min Wu, Yuanchun Zhou, Meng Xiao
Abstract: Tabular data optimization methods aim to automatically find an optimal feature transformation process that generates high-value features and improves the performance of downstream machine learning tasks. Current frameworks for automated feature transformation rely on iterative sequence generation tasks, optimizing decision strategies through performance feedback from downstream tasks. However, these approaches fail to effectively utilize historical decision-making experiences and overlook potential relationships among generated features, thus limiting the depth of knowledge extraction. Moreover, the granularity of the decision-making process lacks dynamic backtracking capabilities for individual features, leading to insufficient adaptability when encountering inefficient pathways, adversely affecting overall robustness and exploration efficiency. To address the limitations observed in current automatic feature engineering frameworks, we introduce a novel method that utilizes a feature-state transformation graph to effectively preserve the entire feature transformation journey, where each node represents a specific transformation state. During exploration, three cascading agents iteratively select nodes and idea mathematical operations to generate new transformation states. This strategy leverages the inherent properties of the graph structure, allowing for the preservation and reuse of valuable transformations. It also enables backtracking capabilities through graph pruning techniques, which can rectify inefficient transformation paths. To validate the efficacy and flexibility of our approach, we conducted comprehensive experiments and detailed case studies, demonstrating superior performance in diverse scenarios.
Authors: Mahdi Haghifam, Thomas Steinke, Jonathan Ullman
Abstract: In this paper, we study differentially private (DP) algorithms for computing the geometric median (GM) of a dataset: Given $n$ points, $x_1,\dots,x_n$ in $\mathbb{R}^d$, the goal is to find a point $\theta$ that minimizes the sum of the Euclidean distances to these points, i.e., $\sum_{i=1}^{n} \|\theta - x_i\|_2$. Off-the-shelf methods, such as DP-GD, require strong a priori knowledge locating the data within a ball of radius $R$, and the excess risk of the algorithm depends linearly on $R$. In this paper, we ask: can we design an efficient and private algorithm with an excess error guarantee that scales with the (unknown) radius containing the majority of the datapoints? Our main contribution is a pair of polynomial-time DP algorithms for the task of private GM with an excess error guarantee that scales with the effective diameter of the datapoints. Additionally, we propose an inefficient algorithm based on the inverse smooth sensitivity mechanism, which satisfies the more restrictive notion of pure DP. We complement our results with a lower bound and demonstrate the optimality of our polynomial-time algorithms in terms of sample complexity.
Authors: Ziyue Qiao, Junren Xiao, Qingqiang Sun, Meng Xiao, Hui Xiong
Abstract: This paper addresses the challenge of incremental learning in growing graphs with increasingly complex tasks. The goal is to continually train a graph model to handle new tasks while retaining its inference ability on previous tasks. Existing methods usually neglect the importance of memory diversity, limiting in effectively selecting high-quality memory from previous tasks and remembering broad previous knowledge within the scarce memory on graphs. To address that, we introduce a novel holistic Diversified Memory Selection and Generation (DMSG) framework for incremental learning in graphs, which first introduces a buffer selection strategy that considers both intra-class and inter-class diversities, employing an efficient greedy algorithm for sampling representative training nodes from graphs into memory buffers after learning each new task. Then, to adequately rememorize the knowledge preserved in the memory buffer when learning new tasks, we propose a diversified memory generation replay method. This method first utilizes a variational layer to generate the distribution of buffer node embeddings and sample synthesized ones for replaying. Furthermore, an adversarial variational embedding learning method and a reconstruction-based decoder are proposed to maintain the integrity and consolidate the generalization of the synthesized node embeddings, respectively. Finally, we evaluate our model on node classification tasks involving increasing class numbers. Extensive experimental results on publicly accessible datasets demonstrate the superiority of DMSG over state-of-the-art methods.
Authors: Denis Blessing, Xiaogang Jia, Johannes Esslinger, Francisco Vargas, Gerhard Neumann
Abstract: Monte Carlo methods, Variational Inference, and their combinations play a pivotal role in sampling from intractable probability distributions. However, current studies lack a unified evaluation framework, relying on disparate performance measures and limited method comparisons across diverse tasks, complicating the assessment of progress and hindering the decision-making of practitioners. In response to these challenges, our work introduces a benchmark that evaluates sampling methods using a standardized task suite and a broad range of performance criteria. Moreover, we study existing metrics for quantifying mode collapse and introduce novel metrics for this purpose. Our findings provide insights into strengths and weaknesses of existing sampling methods, serving as a valuable reference for future developments. The code is publicly available here.
Authors: Yuxuan Shu, Vasileios Lampos
Abstract: In multivariate time series (MTS) forecasting, existing state-of-the-art deep learning approaches tend to focus on autoregressive formulations and overlook the information within exogenous indicators. To address this limitation, we present DeformTime, a neural network architecture that attempts to capture correlated temporal patterns from the input space, and hence, improve forecasting accuracy. It deploys two core operations performed by deformable attention blocks (DABs): learning dependencies across variables from different time steps (variable DAB), and preserving temporal dependencies in data from previous time steps (temporal DAB). Input data transformation is explicitly designed to enhance learning from the deformed series of information while passing through a DAB. We conduct extensive experiments on 6 MTS data sets, using previously established benchmarks as well as challenging infectious disease modelling tasks with more exogenous variables. The results demonstrate that DeformTime improves accuracy against previous competitive methods across the vast majority of MTS forecasting tasks, reducing the mean absolute error by 10% on average. Notably, performance gains remain consistent across longer forecasting horizons.
Authors: Xiaoyan Hu, Ho-fung Leung, Farzan Farnia
Abstract: Existing frameworks for evaluating and comparing generative models typically target an offline setting, where the evaluator has access to full batches of data produced by the models. However, in many practical scenarios, the goal is to identify the best model using the fewest generated samples to minimize the costs of querying data from the models. Such an online comparison is challenging with current offline assessment methods. In this work, we propose an online evaluation framework to find the generative model that maximizes a standard assessment score among a group of available models. Our method uses an optimism-based multi-armed bandit framework to identify the model producing data with the highest evaluation score, quantifying the quality and diversity of generated data. Specifically, we study the online assessment of generative models based on the Fr\'echet Inception Distance (FID) and Inception Score (IS) metrics and propose the FID-UCB and IS-UCB algorithms leveraging the upper confidence bound approach in online learning. We prove sub-linear regret bounds for these algorithms and present numerical results on standard image datasets, demonstrating their effectiveness in identifying the score-maximizing generative model.
Authors: Qining Zhang, Honghao Wei, Lei Ying
Abstract: In this paper, we study reinforcement learning from human feedback (RLHF) under an episodic Markov decision process with a general trajectory-wise reward model. We developed a model-free RLHF best policy identification algorithm, called $\mathsf{BSAD}$, without explicit reward model inference, which is a critical intermediate step in the contemporary RLHF paradigms for training large language models (LLM). The algorithm identifies the optimal policy directly from human preference information in a backward manner, employing a dueling bandit sub-routine that constantly duels actions to identify the superior one. $\mathsf{BSAD}$ adopts a reward-free exploration and best-arm-identification-like adaptive stopping criteria to equalize the visitation among all states in the same decision step while moving to the previous step as soon as the optimal action is identifiable, leading to a provable, instance-dependent sample complexity $\tilde{\mathcal{O}}(c_{\mathcal{M}}SA^3H^3M\log\frac{1}{\delta})$ which resembles the result in classic RL, where $c_{\mathcal{M}}$ is the instance-dependent constant and $M$ is the batch size. Moreover, $\mathsf{BSAD}$ can be transformed into an explore-then-commit algorithm with logarithmic regret and generalized to discounted MDPs using a frame-based approach. Our results show: (i) sample-complexity-wise, RLHF is not significantly harder than classic RL and (ii) end-to-end RLHF may deliver improved performance by avoiding pitfalls in reward inferring such as overfit and distribution shift.
Authors: Alireza Afzal Aghaei
Abstract: Recent advancements in neural network design have given rise to the development of Kolmogorov-Arnold Networks (KANs), which enhance speed, interpretability, and precision. This paper presents the Fractional Kolmogorov-Arnold Network (fKAN), a novel neural network architecture that incorporates the distinctive attributes of KANs with a trainable adaptive fractional-orthogonal Jacobi function as its basis function. By leveraging the unique mathematical properties of fractional Jacobi functions, including simple derivative formulas, non-polynomial behavior, and activity for both positive and negative input values, this approach ensures efficient learning and enhanced accuracy. The proposed architecture is evaluated across a range of tasks in deep learning and physics-informed deep learning. Precision is tested on synthetic regression data, image classification, image denoising, and sentiment analysis. Additionally, the performance is measured on various differential equations, including ordinary, partial, and fractional delay differential equations. The results demonstrate that integrating fractional Jacobi functions into KANs significantly improves training speed and performance across diverse fields and applications.
Authors: Andrew Jesson, Nicolas Beltran-Velez, Quentin Chu, Sweta Karlekar, Jannik Kossen, Yarin Gal, John P. Cunningham, David Blei
Abstract: This work is about estimating the hallucination rate for in-context learning (ICL) with Generative AI. In ICL, a conditional generative model (CGM) is prompted with a dataset and asked to make a prediction based on that dataset. The Bayesian interpretation of ICL assumes that the CGM is calculating a posterior predictive distribution over an unknown Bayesian model of a latent parameter and data. With this perspective, we define a \textit{hallucination} as a generated prediction that has low-probability under the true latent parameter. We develop a new method that takes an ICL problem -- that is, a CGM, a dataset, and a prediction question -- and estimates the probability that a CGM will generate a hallucination. Our method only requires generating queries and responses from the model and evaluating its response log probability. We empirically evaluate our method on synthetic regression and natural language ICL tasks using large language models.
Authors: Anming Gu, Edward Chien, Kristjan Greenewald
Abstract: Trajectory inference seeks to recover the temporal dynamics of a population from snapshots of its (uncoupled) temporal marginals, i.e. where observed particles are not tracked over time. Lavenant et al. arXiv:2102.09204 addressed this challenging problem under a stochastic differential equation (SDE) model with a gradient-driven drift in the observed space, introducing a minimum entropy estimator relative to the Wiener measure. Chizat et al. arXiv:2205.07146 then provided a practical grid-free mean-field Langevin (MFL) algorithm using Schr\"odinger bridges. Motivated by the overwhelming success of observable state space models in the traditional paired trajectory inference problem (e.g. target tracking), we extend the above framework to a class of latent SDEs in the form of observable state space models. In this setting, we use partial observations to infer trajectories in the latent space under a specified dynamics model (e.g. the constant velocity/acceleration models from target tracking). We introduce PO-MFL to solve this latent trajectory inference problem and provide theoretical guarantees by extending the results of arXiv:2102.09204 to the partially observed setting. We leverage the MFL framework of arXiv:2205.07146, yielding an algorithm based on entropic OT between dynamics-adjusted adjacent time marginals. Experiments validate the robustness of our method and the exponential convergence of the MFL dynamics, and demonstrate significant outperformance over the latent-free method of arXiv:2205.07146 in key scenarios.
Authors: Bekir Z. Demiray, Ibrahim Demir
Abstract: This study explores the efficacy of a Transformer model for 120-hour streamflow prediction across 125 diverse locations in Iowa, US. Utilizing data from the preceding 72 hours, including precipitation, evapotranspiration, and discharge values, we developed a generalized model to predict future streamflow. Our approach contrasts with traditional methods that typically rely on location-specific models. We benchmarked the Transformer model's performance against three deep learning models (LSTM, GRU, and Seq2Seq) and the Persistence approach, employing Nash-Sutcliffe Efficiency (NSE), Kling-Gupta Efficiency (KGE), Pearson's r, and Normalized Root Mean Square Error (NRMSE) as metrics. The study reveals the Transformer model's superior performance, maintaining higher median NSE and KGE scores and exhibiting the lowest NRMSE values. This indicates its capability to accurately simulate and predict streamflow, adapting effectively to varying hydrological conditions and geographical variances. Our findings underscore the Transformer model's potential as an advanced tool in hydrological modeling, offering significant improvements over traditional and contemporary approaches.
Authors: Nicholas M. Boffi, Michael S. Albergo, Eric Vanden-Eijnden
Abstract: Generative models based on dynamical transport of measure, such as diffusion models, flow matching models, and stochastic interpolants, learn an ordinary or stochastic differential equation whose trajectories push initial conditions from a known base distribution onto the target. While training is cheap, samples are generated via simulation, which is more expensive than one-step models like GANs. To close this gap, we introduce flow map matching -- an algorithm that learns the two-time flow map of an underlying ordinary differential equation. The approach leads to an efficient few-step generative model whose step count can be chosen a-posteriori to smoothly trade off accuracy for computational expense. Leveraging the stochastic interpolant framework, we introduce losses for both direct training of flow maps and distillation from pre-trained (or otherwise known) velocity fields. Theoretically, we show that our approach unifies many existing few-step generative models, including consistency models, consistency trajectory models, progressive distillation, and neural operator approaches, which can be obtained as particular cases of our formalism. With experiments on CIFAR-10 and ImageNet 32x32, we show that flow map matching leads to high-quality samples with significantly reduced sampling cost compared to diffusion or stochastic interpolant methods.
Authors: Yunzhen Feng, Elvis Dohmatob, Pu Yang, Francois Charton, Julia Kempe
Abstract: Synthesized data from generative models is increasingly considered as an alternative to human-annotated data for fine-tuning Large Language Models. This raises concerns about model collapse: a drop in performance of models fine-tuned on generated data. Considering that it is easier for both humans and machines to tell between good and bad examples than to generate high-quality samples, we investigate the use of feedback on synthesized data to prevent model collapse. We derive theoretical conditions under which a Gaussian mixture classification model can achieve asymptotically optimal performance when trained on feedback-augmented synthesized data, and provide supporting simulations for finite regimes. We illustrate our theoretical predictions on two practical problems: computing matrix eigenvalues with transformers and news summarization with large language models, which both undergo model collapse when trained on model-generated data. We show that training from feedback-augmented synthesized data, either by pruning incorrect predictions or by selecting the best of several guesses, can prevent model collapse, validating popular approaches like RLHF.
Authors: Jingyao Li, Han Shi, Xin Jiang, Zhenguo Li, Hong Xu, Jiaya Jia
Abstract: The capacity of Large Language Models (LLMs) to comprehend and reason over long contexts is pivotal for advancements in diverse fields. Yet, they still stuggle with capturing long-distance dependencies within sequences to deeply understand semantics. To address this issue, we introduce Query-aware Inference for LLMs (Q-LLM), a system designed to process extensive sequences akin to human cognition. By focusing on memory data relevant to a given query, Q-LLM can accurately capture pertinent information within a fixed window size and provide precise answers to queries. It doesn't require extra training and can be seamlessly integrated with any LLMs. Q-LLM using LLaMA3 (QuickLLaMA) can read Harry Potter within 30s and accurately answer the questions. Q-LLM improved by 7.17% compared to the current state-of-the-art on LLaMA3, and by 3.26% on Mistral on the $\infty$-bench. In the Needle-in-a-Haystack task, On widely recognized benchmarks, Q-LLM improved upon the current SOTA by 7.0% on Mistral and achieves 100% on LLaMA3. Our code can be found in https://github.com/dvlab-research/Q-LLM.
Authors: Lu Li, Tianyu Zhang, Zhiqi Bu, Suyuchen Wang, Huan He, Jie Fu, Yonghui Wu, Jiang Bian, Yong Chen, Yoshua Bengio
Abstract: Model merging has emerged as an effective approach to combine multiple single-task models, fine-tuned from the same pre-trained model, into a multitask model. This process typically involves computing a weighted average of the model parameters without any additional training. Existing model-merging methods focus on enhancing average task accuracy. However, interference and conflicts between the objectives of different tasks can lead to trade-offs during model merging. In real-world applications, a set of solutions with various trade-offs can be more informative, helping practitioners make decisions based on diverse preferences. In this paper, we introduce a novel low-compute algorithm, Model Merging with Amortized Pareto Front (MAP). MAP identifies a Pareto set of scaling coefficients for merging multiple models to reflect the trade-offs. The core component of MAP is approximating the evaluation metrics of the various tasks using a quadratic approximation surrogate model derived from a pre-selected set of scaling coefficients, enabling amortized inference. Experimental results on vision and natural language processing tasks show that MAP can accurately identify the Pareto front. To further reduce the required computation of MAP, we propose (1) a Bayesian adaptive sampling algorithm and (2) a nested merging scheme with multiple stages.
Authors: Wenxiao Wang, Weiming Zhuang, Lingjuan Lyu
Abstract: The advancement of deep learning technologies is bringing new models every day, motivating the study of scalable model selection. An ideal model selection scheme should minimally support two operations efficiently over a large pool of candidate models: update, which involves either adding a new candidate model or removing an existing candidate model, and selection, which involves locating highly performing models for a given task. However, previous solutions to model selection require high computational complexity for at least one of these two operations. In this work, we target fundamentally (more) scalable model selection that supports asymptotically fast update and asymptotically fast selection at the same time. Firstly, we define isolated model embedding, a family of model selection schemes supporting asymptotically fast update and selection: With respect to the number of candidate models $m$, the update complexity is O(1) and the selection consists of a single sweep over $m$ vectors in addition to O(1) model operations. Isolated model embedding also implies several desirable properties for applications. Secondly, we present Standardized Embedder, an empirical realization of isolated model embedding. We assess its effectiveness by using it to select representations from a pool of 100 pre-trained vision models for classification tasks and measuring the performance gaps between the selected models and the best candidates with a linear probing protocol. Experiments suggest our realization is effective in selecting models with competitive performances and highlight isolated model embedding as a promising direction towards model selection that is fundamentally (more) scalable.
Authors: Zeyuan Liu, Kai Yang, Xiu Li
Abstract: Distribution shift is a major obstacle in offline reinforcement learning, which necessitates minimizing the discrepancy between the learned policy and the behavior policy to avoid overestimating rare or unseen actions. Previous conservative offline RL algorithms struggle to generalize to unseen actions, despite their success in learning good in-distribution policy. In contrast, we propose to use the gradient fields of the dataset density generated from a pre-trained offline RL algorithm to adjust the original actions. We decouple the conservatism constraints from the policy, thus can benefit wide offline RL algorithms. As a consequence, we propose the Conservative Denoising Score-based Algorithm (CDSA) which utilizes the denoising score-based model to model the gradient of the dataset density, rather than the dataset density itself, and facilitates a more accurate and efficient method to adjust the action generated by the pre-trained policy in a deterministic and continuous MDP environment. In experiments, we show that our approach significantly improves the performance of baseline algorithms in D4RL datasets, and demonstrate the generalizability and plug-and-play capability of our model across different pre-trained offline RL policy in different tasks. We also validate that the agent exhibits greater risk aversion after employing our method while showcasing its ability to generalize effectively across diverse tasks.
Authors: David Ortiz-Perez, Jose Garcia-Rodriguez, David Tom\'as
Abstract: Cognitive decline is a natural process that occurs as individuals age. Early diagnosis of anomalous decline is crucial for initiating professional treatment that can enhance the quality of life of those affected. To address this issue, we propose a multimodal model capable of predicting Mild Cognitive Impairment and cognitive scores. The TAUKADIAL dataset is used to conduct the evaluation, which comprises audio recordings of clinical interviews. The proposed model demonstrates the ability to transcribe and differentiate between languages used in the interviews. Subsequently, the model extracts audio and text features, combining them into a multimodal architecture to achieve robust and generalized results. Our approach involves in-depth research to implement various features obtained from the proposed modalities.
Authors: Ziliang Zhang, Huaming Yu, Danqin Ren
Abstract: Traditional wave forecasting models, although based on energy conservation equations, are computationally expensive. On the other hand, existing deep learning geophysical fluid models, while computationally efficient, often suffer from issues such as energy dissipation in long-term forecasts. This paper proposes a novel energy-balanced deep learning wave forecasting model called OceanCastNet (OCN). By incorporating wind fields at the current, previous, and future time steps, as well as wave fields at the current and previous time steps as input variables, OCN maintains energy balance within the model. Furthermore, the model employs adaptive Fourier operators as its core components and designs a masked loss function to better handle the impact of land-sea boundaries. A series of experiments on the ERA5 dataset demonstrate that OCN can achieve short-term forecast accuracy comparable to traditional models while exhibiting an understanding of the wave generation process. In comparative experiments under both normal and extreme conditions, OCN consistently outperforms the widely used WaveWatch III model in the industry. Even after long-term forecasting, OCN maintains a stable and energy-rich state. By further constructing a simple meteorological model, OCN-wind, which considers energy balance, this paper confirms the importance of energy constraints for improving the long-term forecast performance of deep learning meteorological models. This finding provides new ideas for future research on deep learning geophysical fluid models.
Authors: Shubhayan Ghosal
Abstract: This paper delves into recent advancements in Quantum Reinforcement Learning (QRL), particularly focusing on non-commutative environments, which represent uncharted territory in this field. Our research endeavors to redefine the boundaries of decision-making by introducing formulations and strategies that harness the inherent properties of quantum systems. At the core of our investigation characterization of the agent's state space within a Hilbert space ($\mathcal{H}$). Here, quantum states emerge as complex superpositions of classical state introducing non-commutative quantum actions governed by unitary operators, necessitating a reimagining of state transitions. Complementing this framework is a refined reward function, rooted in quantum mechanics as a Hermitian operator on $\mathcal{H}$. This reward function serves as the foundation for the agent's decision-making process. By leveraging the quantum Bellman equation, we establish a methodology for maximizing expected cumulative reward over an infinite horizon, considering the entangled dynamics of quantum systems. We also connect the Quantum Bellman Equation to the Degree of Non Commutativity of the Environment, evident in Pure Algebra. We design a quantum advantage function. This ingeniously designed function exploits latent quantum parallelism inherent in the system, enhancing the agent's decision-making capabilities and paving the way for exploration of quantum advantage in uncharted territories. Furthermore, we address the significant challenge of quantum exploration directly, recognizing the limitations of traditional strategies in this complex environment.
Authors: Ivan Iliash (Technical University of Munich), Simeon Allmendinger (University of Bayreuth), Felix Meissen (Technical University of Munich), Niklas K\"uhl (University of Bayreuth), Daniel R\"uckert (Technical University of Munich)
Abstract: Generative AI, in general, and synthetic visual data generation, in specific, hold much promise for benefiting surgical training by providing photorealism to simulation environments. Current training methods primarily rely on reading materials and observing live surgeries, which can be time-consuming and impractical. In this work, we take a significant step towards improving the training process. Specifically, we use diffusion models in combination with a zero-shot video diffusion method to interactively generate realistic laparoscopic images and videos by specifying a surgical action through text and guiding the generation with tool positions through segmentation masks. We demonstrate the performance of our approach using the publicly available Cholec dataset family and evaluate the fidelity and factual correctness of our generated images using a surgical action recognition model as well as the pixel-wise F1-score for the spatial control of tool generation. We achieve an FID of 38.097 and an F1-score of 0.71.
Authors: Sergio Y. Hayashi, Nina S. T. Hirata
Abstract: Deep neural networks are largely used for complex prediction tasks. There is plenty of empirical evidence of their successful end-to-end training for a diversity of tasks. Success is often measured based solely on the final performance of the trained network, and explanations on when, why and how they work are less emphasized. In this paper we study encoder-decoder recurrent neural networks with attention mechanisms for the task of reading handwritten chess scoresheets. Rather than prediction performance, our concern is to better understand how learning occurs in these type of networks. We characterize the task in terms of three subtasks, namely input-output alignment, sequential pattern recognition, and handwriting recognition, and experimentally investigate which factors affect their learning. We identify competition, collaboration and dependence relations between the subtasks, and argue that such knowledge might help one to better balance factors to properly train a network.
Authors: Size Zheng, Renze Chen, Meng Li, Zihao Ye, Luis Ceze, Yun Liang
Abstract: IoT devices based on microcontroller units (MCU) provide ultra-low power consumption and ubiquitous computation for near-sensor deep learning models (DNN). However, the memory of MCU is usually 2-3 orders of magnitude smaller than mobile devices, which makes it challenging to map DNNs onto MCUs. Previous work separates memory management and kernel implementation for MCU and relies on coarse-grained memory management techniques such as inplace update to reduce memory consumption. In this paper, we propose to coordinate memory management and kernel optimization for DNN inference on MCUs to enable fine-grained memory management. The key idea is to virtualize the limited memory of MCU as a large memory pool. Each kernel divides the memory pool into kernel-specific segments and handles segment load and store while computing DNN layers. Memory consumption can be reduced because using the fine-grained segment-level memory control, we can overlap the memory footprint of different tensors without the need to materialize them at the same time. Following this idea, we implement \ours{} for DNN inference on MCU. Evaluation for single layers on ARM Cortex-M4 and Cortex-M7 processors shows that \ours{} can reduce from $12.0\%$ to $49.5\%$ RAM usage and from $20.6\%$ to $53.0\%$ energy consumption compared to state-of-the-art work. For full DNN evaluation, \ours{} can reduce the memory bottleneck by $61.5\%$, enabling more models to be deployed on low-end MCUs.
Authors: Zhanglu Yan, Zhenyu Bai, Tulika Mitra, Weng-Fai Wong
Abstract: Heart disease is one of the leading causes of death worldwide. Given its high risk and often asymptomatic nature, real-time continuous monitoring is essential. Unlike traditional artificial neural networks (ANNs), spiking neural networks (SNNs) are well-known for their energy efficiency, making them ideal for wearable devices and energy-constrained edge computing platforms. However, current energy measurement of SNN implementations for detecting heart diseases typically rely on empirical values, often overlooking hardware overhead. Additionally, the integer and fire activations in SNNs require multiple memory accesses and repeated computations, which can further compromise energy efficiency. In this paper, we propose sparrowSNN, a redesign of the standard SNN workflow from a hardware perspective, and present a dedicated ASIC design for SNNs, optimized for ultra-low power wearable devices used in heartbeat classification. Using the MIT-BIH dataset, our SNN achieves a state-of-the-art accuracy of 98.29% for SNNs, with energy consumption of 31.39nJ per inference and power usage of 6.1uW, making sparrowSNN the highest accuracy with the lowest energy use among comparable systems. We also compare the energy-to-accuracy trade-offs between SNNs and quantized ANNs, offering recommendations on insights on how best to use SNNs.
Authors: Sabrina Khurshid, Mohammed Shahid Abdulla, Gourab Ghatak
Abstract: Sharpe Ratio (SR) is a critical parameter in characterizing financial time series as it jointly considers the reward and the volatility of any stock/portfolio through its variance. Deriving online algorithms for optimizing the SR is particularly challenging since even offline policies experience constant regret with respect to the best expert Even-Dar et al (2006). Thus, instead of optimizing the usual definition of SR, we optimize regularized square SR (RSSR). We consider two settings for the RSSR, Regret Minimization (RM) and Best Arm Identification (BAI). In this regard, we propose a novel multi-armed bandit (MAB) algorithm for RM called UCB-RSSR for RSSR maximization. We derive a path-dependent concentration bound for the estimate of the RSSR. Based on that, we derive the regret guarantees of UCB-RSSR and show that it evolves as O(log n) for the two-armed bandit case played for a horizon n. We also consider a fixed budget setting for well-known BAI algorithms, i.e., sequential halving and successive rejects, and propose SHVV, SHSR, and SuRSR algorithms. We derive the upper bound for the error probability of all proposed BAI algorithms. We demonstrate that UCB-RSSR outperforms the only other known SR optimizing bandit algorithm, U-UCB Cassel et al (2023). We also establish its efficacy with respect to other benchmarks derived from the GRA-UCB and MVTS algorithms. We further demonstrate the performance of proposed BAI algorithms for multiple different setups. Our research highlights that our proposed algorithms will find extensive applications in risk-aware portfolio management problems. Consequently, our research highlights that our proposed algorithms will find extensive applications in risk-aware portfolio management problems.
Authors: Yujia Bao, Ankit Parag Shah, Neeru Narang, Jonathan Rivers, Rajeev Maksey, Lan Guan, Louise N. Barrere, Shelley Evenson, Rahul Basole, Connie Miao, Ankit Mehta, Fabien Boulay, Su Min Park, Natalie E. Pearson, Eldhose Joy, Tiger He, Sumiran Thakur, Koustav Ghosal, Josh On, Phoebe Morrison, Tim Major, Eva Siqi Wang, Gina Escobar, Jiaheng Wei, Tharindu Cyril Weerasooriya, Queena Song, Daria Lashkevich, Clare Chen, Gyuhak Kim, Dengpan Yin, Don Hejna, Mo Nomeli, Wei Wei
Abstract: This paper introduces Fortune Analytics Language Model (FALM). FALM empowers users with direct access to comprehensive business analysis, including market trends, company performance metrics, and expert insights. Unlike generic LLMs, FALM leverages a curated knowledge base built from professional journalism, enabling it to deliver precise and in-depth answers to intricate business questions. Users can further leverage natural language queries to directly visualize financial data, generating insightful charts and graphs to understand trends across diverse business sectors clearly. FALM fosters user trust and ensures output accuracy through three novel methods: 1) Time-aware reasoning guarantees accurate event registration and prioritizes recent updates. 2) Thematic trend analysis explicitly examines topic evolution over time, providing insights into emerging business landscapes. 3) Content referencing and task decomposition enhance answer fidelity and data visualization accuracy. We conduct both automated and human evaluations, demonstrating FALM's significant performance improvements over baseline methods while prioritizing responsible AI practices. These benchmarks establish FALM as a cutting-edge LLM in the business and media domains, with exceptional accuracy and trustworthiness.
Authors: Jinjie Ni, Fuzhao Xue, Xiang Yue, Yuntian Deng, Mahir Shah, Kabir Jain, Graham Neubig, Yang You
Abstract: Evaluating large language models (LLMs) is challenging. Traditional ground-truth-based benchmarks fail to capture the comprehensiveness and nuance of real-world queries, while LLM-as-judge benchmarks suffer from grading biases and limited query quantity. Both of them may also become contaminated over time. User-facing evaluation, such as Chatbot Arena, provides reliable signals but is costly and slow. In this work, we propose MixEval, a new paradigm for establishing efficient, gold-standard LLM evaluation by strategically mixing off-the-shelf benchmarks. It bridges (1) comprehensive and well-distributed real-world user queries and (2) efficient and fairly-graded ground-truth-based benchmarks, by matching queries mined from the web with similar queries from existing benchmarks. Based on MixEval, we further build MixEval-Hard, which offers more room for model improvement. Our benchmarks' advantages lie in (1) a 0.96 model ranking correlation with Chatbot Arena arising from the highly impartial query distribution and grading mechanism, (2) fast, cheap, and reproducible execution (6% of the time and cost of MMLU), and (3) dynamic evaluation enabled by the rapid and stable data update pipeline. We provide extensive meta-evaluation and analysis for our and existing LLM benchmarks to deepen the community's understanding of LLM evaluation and guide future research directions.
Authors: Carolina Fortuna, Vid Han\v{z}el, Bla\v{z} Bertalani\v{c}
Abstract: In this paper, we investigate the integration of Retrieval Augmented Generation (RAG) with large language models (LLMs) such as ChatGPT, Gemini, and Llama to enhance the accuracy and specificity of responses to complex questions about electricity datasets. Recognizing the limitations of LLMs in generating precise and contextually relevant answers due to their dependency on the patterns in training data rather than factual understanding, we propose a solution that leverages a specialized electricity knowledge graph. This approach facilitates the retrieval of accurate, real-time data which is then synthesized with the generative capabilities of LLMs. Our findings illustrate that the RAG approach not only reduces the incidence of incorrect information typically generated by LLMs but also significantly improves the quality of the output by grounding responses in verifiable data. This paper details our methodology, presents a comparative analysis of responses with and without RAG, and discusses the implications of our findings for future applications of AI in specialized sectors like energy data analysis.
Authors: Anjanava Biswas, Wrick Talukdar
Abstract: Accurate and comprehensive clinical documentation is crucial for delivering high-quality healthcare, facilitating effective communication among providers, and ensuring compliance with regulatory requirements. However, manual transcription and data entry processes can be time-consuming, error-prone, and susceptible to inconsistencies, leading to incomplete or inaccurate medical records. This paper proposes a novel approach to augment clinical documentation by leveraging synthetic data generation techniques to generate realistic and diverse clinical transcripts. We present a methodology that combines state-of-the-art generative models, such as Generative Adversarial Networks (GANs) and Variational Autoencoders (VAEs), with real-world clinical transcript and other forms of clinical data to generate synthetic transcripts. These synthetic transcripts can then be used to supplement existing documentation workflows, providing additional training data for natural language processing models and enabling more accurate and efficient transcription processes. Through extensive experiments on a large dataset of anonymized clinical transcripts, we demonstrate the effectiveness of our approach in generating high-quality synthetic transcripts that closely resemble real-world data. Quantitative evaluation metrics, including perplexity scores and BLEU scores, as well as qualitative assessments by domain experts, validate the fidelity and utility of the generated synthetic transcripts. Our findings highlight synthetic data generation's potential to address clinical documentation challenges, improving patient care, reducing administrative burdens, and enhancing healthcare system efficiency.
Authors: Robert Osazuwa Ness, Katie Matton, Hayden Helm, Sheng Zhang, Junaid Bajwa, Carey E. Priebe, Eric Horvitz
Abstract: Large language models (LLM) have achieved impressive performance on medical question-answering benchmarks. However, high benchmark accuracy does not imply that the performance generalizes to real-world clinical settings. Medical question-answering benchmarks rely on assumptions consistent with quantifying LLM performance but that may not hold in the open world of the clinic. Yet LLMs learn broad knowledge that can help the LLM generalize to practical conditions regardless of unrealistic assumptions in celebrated benchmarks. We seek to quantify how well LLM medical question-answering benchmark performance generalizes when benchmark assumptions are violated. Specifically, we present an adversarial method that we call MedFuzz (for medical fuzzing). MedFuzz attempts to modify benchmark questions in ways aimed at confounding the LLM. We demonstrate the approach by targeting strong assumptions about patient characteristics presented in the MedQA benchmark. Successful "attacks" modify a benchmark item in ways that would be unlikely to fool a medical expert but nonetheless "trick" the LLM into changing from a correct to an incorrect answer. Further, we present a permutation test technique that can ensure a successful attack is statistically significant. We show how to use performance on a "MedFuzzed" benchmark, as well as individual successful attacks. The methods show promise at providing insights into the ability of an LLM to operate robustly in more realistic settings.
Authors: Owen Dugan, Donato Manuel Jimenez Beneto, Charlotte Loh, Zhuo Chen, Rumen Dangovski, Marin Solja\v{c}i\'c
Abstract: Despite significant advancements in text generation and reasoning, Large Language Models (LLMs) still face challenges in accurately performing complex arithmetic operations. To achieve accurate calculations, language model systems often enable LLMs to generate code for arithmetic operations. However, this approach compromises speed and security and, if finetuning is involved, risks the language model losing prior capabilities. We propose a framework that enables exact arithmetic in \textit{a single autoregressive step}, providing faster, more secure, and more interpretable LLM systems with arithmetic capabilities. We use the hidden states of an LLM to control a symbolic architecture which performs arithmetic. Our implementation using Llama 3 8B Instruct with OccamNet as a symbolic model (OccamLlama) achieves 100\% accuracy on single arithmetic operations ($+,-,\times,\div,\sin{},\cos{},\log{},\exp{},\sqrt{}$), outperforming GPT 4o and on par with GPT 4o using a code interpreter. OccamLlama also outperforms both Llama 3 8B Instruct and GPT 3.5 Turbo on multistep reasoning problems involving challenging arithmetic, thus enabling small LLMs to match the arithmetic performance of even much larger models. We will make our code public shortly.
Authors: Dare Azeez Oyeyemi, Adebola K. Ojo
Abstract: In the modern era, mobile phones have become ubiquitous, and Short Message Service (SMS) has grown to become a multi-million-dollar service due to the widespread adoption of mobile devices and the millions of people who use SMS daily. However, SMS spam has also become a pervasive problem that endangers users' privacy and security through phishing and fraud. Despite numerous spam filtering techniques, there is still a need for a more effective solution to address this problem [1]. This research addresses the pervasive issue of SMS spam, which poses threats to users' privacy and security. Despite existing spam filtering techniques, the high false-positive rate persists as a challenge. The study introduces a novel approach utilizing Natural Language Processing (NLP) and machine learning models, particularly BERT (Bidirectional Encoder Representations from Transformers), for SMS spam detection and classification. Data preprocessing techniques, such as stop word removal and tokenization, are applied, along with feature extraction using BERT. Machine learning models, including SVM, Logistic Regression, Naive Bayes, Gradient Boosting, and Random Forest, are integrated with BERT for differentiating spam from ham messages. Evaluation results revealed that the Na\"ive Bayes classifier + BERT model achieves the highest accuracy at 97.31% with the fastest execution time of 0.3 seconds on the test dataset. This approach demonstrates a notable enhancement in spam detection efficiency and a low false-positive rate. The developed model presents a valuable solution to combat SMS spam, ensuring faster and more accurate detection. This model not only safeguards users' privacy but also assists network providers in effectively identifying and blocking SMS spam messages.
Authors: Reid McIlroy-Young, Katrina Brown, Conlan Olson, Linjun Zhang, Cynthia Dwork
Abstract: The development of generative language models that can create long and coherent textual outputs via autoregression has lead to a proliferation of uses and a corresponding sweep of analyses as researches work to determine the limitations of this new paradigm. Unlike humans, these 'Large Language Models' (LLMs) are highly sensitive to small changes in their inputs, leading to unwanted inconsistency in their behavior. One problematic inconsistency when LLMs are used to answer multiple-choice questions or analyze multiple inputs is order dependency: the output of an LLM can (and often does) change significantly when sub-sequences are swapped, despite both orderings being semantically identical. In this paper we present Set-Based Prompting, a technique that guarantees the output of an LLM will not have order dependence on a specified set of sub-sequences. We show that this method provably eliminates order dependency, and that it can be applied to any transformer-based LLM to enable text generation that is unaffected by re-orderings. Delving into the implications of our method, we show that, despite our inputs being out of distribution, the impact on expected accuracy is small, where the expectation is over the order of uniformly chosen shuffling of the candidate responses, and usually significantly less in practice. Thus, Set-Based Prompting can be used as a 'dropped-in' method on fully trained models. Finally, we discuss how our method's success suggests that other strong guarantees can be obtained on LLM performance via modifying the input representations.
Authors: Viet Anh Trinh, Rosy Southwell, Yiwen Guan, Xinlu He, Zhiyong Wang, Jacob Whitehill
Abstract: Recent work on discrete speech tokenization has paved the way for models that can seamlessly perform multiple tasks across modalities, e.g., speech recognition, text to speech, speech to speech translation. Moreover, large language models (LLMs) pretrained from vast text corpora contain rich linguistic information that can improve accuracy in a variety of tasks. In this paper, we present a decoder-only Discrete Multimodal Language Model (DMLM), which can be flexibly applied to multiple tasks (ASR, T2S, S2TT, etc.) and modalities (text, speech, vision). We explore several critical aspects of discrete multi-modal models, including the loss function, weight initialization, mixed training supervision, and codebook. Our results show that DMLM benefits significantly, across multiple tasks and datasets, from a combination of supervised and unsupervised training. Moreover, for ASR, it benefits from initializing DMLM from a pretrained LLM, and from a codebook derived from Whisper activations.
Authors: Flavio Petruzzellis, Alberto Testolin, Alessandro Sperduti
Abstract: Large Language Models (LLMs) achieve impressive performance in a wide range of tasks, even if they are often trained with the only objective of chatting fluently with users. Among other skills, LLMs show emergent abilities in mathematical reasoning benchmarks, which can be elicited with appropriate prompting methods. In this work, we systematically investigate the capabilities and limitations of popular open-source LLMs on different symbolic reasoning tasks. We evaluate three models of the Llama 2 family on two datasets that require solving mathematical formulas of varying degrees of difficulty. We test a generalist LLM (Llama 2 Chat) as well as two fine-tuned versions of Llama 2 (MAmmoTH and MetaMath) specifically designed to tackle mathematical problems. We observe that both increasing the scale of the model and fine-tuning it on relevant tasks lead to significant performance gains. Furthermore, using fine-grained evaluation measures, we find that such performance gains are mostly observed with mathematical formulas of low complexity, which nevertheless often remain challenging even for the largest fine-tuned models.
Authors: Hidetoshi Matsuo, Mizuho Nishio, Takaaki Matsunaga, Koji Fujimoto, Takamichi Murakami
Abstract: Background: Structured radiology reports remains underdeveloped due to labor-intensive structuring and narrative-style reporting. Deep learning, particularly large language models (LLMs) like GPT-3.5, offers promise in automating the structuring of radiology reports in natural languages. However, although it has been reported that LLMs are less effective in languages other than English, their radiological performance has not been extensively studied. Purpose: This study aimed to investigate the accuracy of TNM classification based on radiology reports using GPT3.5-turbo (GPT3.5) and the utility of multilingual LLMs in both Japanese and English. Material and Methods: Utilizing GPT3.5, we developed a system to automatically generate TNM classifications from chest CT reports for lung cancer and evaluate its performance. We statistically analyzed the impact of providing full or partial TNM definitions in both languages using a Generalized Linear Mixed Model. Results: Highest accuracy was attained with full TNM definitions and radiology reports in English (M = 94%, N = 80%, T = 47%, and ALL = 36%). Providing definitions for each of the T, N, and M factors statistically improved their respective accuracies (T: odds ratio (OR) = 2.35, p < 0.001; N: OR = 1.94, p < 0.01; M: OR = 2.50, p < 0.001). Japanese reports exhibited decreased N and M accuracies (N accuracy: OR = 0.74 and M accuracy: OR = 0.21). Conclusion: This study underscores the potential of multilingual LLMs for automatic TNM classification in radiology reports. Even without additional model training, performance improvements were evident with the provided TNM definitions, indicating LLMs' relevance in radiology contexts.
Authors: Liangchen Luo, Yinxiao Liu, Rosanne Liu, Samrat Phatale, Harsh Lara, Yunxuan Li, Lei Shu, Yun Zhu, Lei Meng, Jiao Sun, Abhinav Rastogi
Abstract: Complex multi-step reasoning tasks, such as solving mathematical problems or generating code, remain a significant hurdle for even the most advanced large language models (LLMs). Verifying LLM outputs with an Outcome Reward Model (ORM) is a standard inference-time technique aimed at enhancing the reasoning performance of LLMs. However, this still proves insufficient for reasoning tasks with a lengthy or multi-hop reasoning chain, where the intermediate outcomes are neither properly rewarded nor penalized. Process supervision addresses this limitation by assigning intermediate rewards during the reasoning process. To date, the methods used to collect process supervision data have relied on either human annotation or per-step Monte Carlo estimation, both prohibitively expensive to scale, thus hindering the broad application of this technique. In response to this challenge, we propose a novel divide-and-conquer style Monte Carlo Tree Search (MCTS) algorithm named \textit{OmegaPRM} for the efficient collection of high-quality process supervision data. This algorithm swiftly identifies the first error in the Chain of Thought (CoT) with binary search and balances the positive and negative examples, thereby ensuring both efficiency and quality. As a result, we are able to collect over 1.5 million process supervision annotations to train a Process Reward Model (PRM). Utilizing this fully automated process supervision alongside the weighted self-consistency algorithm, we have enhanced the instruction tuned Gemini Pro model's math reasoning performance, achieving a 69.4\% success rate on the MATH benchmark, a 36\% relative improvement from the 51\% base model performance. Additionally, the entire process operates without any human intervention, making our method both financially and computationally cost-effective compared to existing methods.
Authors: Chang Zong, Jian Shao, Weiming Lu, Yueting Zhuang
Abstract: The accurate prediction of stock movements is crucial for investment strategies. Stock prices are subject to the influence of various forms of information, including financial indicators, sentiment analysis, news documents, and relational structures. Predominant analytical approaches, however, tend to address only unimodal or bimodal sources, neglecting the complexity of multimodal data. Further complicating the landscape are the issues of data sparsity and semantic conflicts between these modalities, which are frequently overlooked by current models, leading to unstable performance and limiting practical applicability. To address these shortcomings, this study introduces a novel architecture, named Multimodal Stable Fusion with Gated Cross-Attention (MSGCA), designed to robustly integrate multimodal input for stock movement prediction. The MSGCA framework consists of three integral components: (1) a trimodal encoding module, responsible for processing indicator sequences, dynamic documents, and a relational graph, and standardizing their feature representations; (2) a cross-feature fusion module, where primary and consistent features guide the multimodal fusion of the three modalities via a pair of gated cross-attention networks; and (3) a prediction module, which refines the fused features through temporal and dimensional reduction to execute precise movement forecasting. Empirical evaluations demonstrate that the MSGCA framework exceeds current leading methods, achieving performance gains of 8.1%, 6.1%, 21.7% and 31.6% on four multimodal datasets, respectively, attributed to its enhanced multimodal fusion stability.
Authors: Lingfeng Zhang, Yuheng Guo, Yepeng Ding, Hiroyuki Sato
Abstract: Online signature verification plays a pivotal role in security infrastructures. However, conventional online signature verification models pose significant risks to data privacy, especially during training processes. To mitigate these concerns, we propose a novel federated learning framework that leverages 1-D Convolutional Neural Networks (CNN) for online signature verification. Furthermore, our experiments demonstrate the effectiveness of our framework regarding 1-D CNN and federated learning. Particularly, the experiment results highlight that our framework 1) minimizes local computational resources; 2) enhances transfer effects with substantial initialization data; 3) presents remarkable scalability. The centralized 1-D CNN model achieves an Equal Error Rate (EER) of 3.33% and an accuracy of 96.25%. Meanwhile, configurations with 2, 5, and 10 agents yield EERs of 5.42%, 5.83%, and 5.63%, along with accuracies of 95.21%, 94.17%, and 94.06%, respectively.
Authors: Abigail Gurin Schleifer, Beata Beigman Klebanov, Moriah Ariely, Giora Alexandron
Abstract: Unsupervised clustering of student responses to open-ended questions into behavioral and cognitive profiles using pre-trained LLM embeddings is an emerging technique, but little is known about how well this captures pedagogically meaningful information. We investigate this in the context of student responses to open-ended questions in biology, which were previously analyzed and clustered by experts into theory-driven Knowledge Profiles (KPs). Comparing these KPs to ones discovered by purely data-driven clustering techniques, we report poor discoverability of most KPs, except for the ones including the correct answers. We trace this "discoverability bias" to the representations of KPs in the pre-trained LLM embeddings space.
Authors: Walid S. Saba
Abstract: We argue that the relative success of large language models (LLMs) is not a reflection on the symbolic vs. subsymbolic debate but a reflection on employing a successful bottom-up strategy of a reverse engineering of language at scale. However, and due to their subsymbolic nature whatever knowledge these systems acquire about language will always be buried in millions of weights none of which is meaningful on its own, rendering such systems utterly unexplainable. Furthermore, and due to their stochastic nature, LLMs will often fail in making the correct inferences in various linguistic contexts that require reasoning in intensional, temporal, or modal contexts. To remedy these shortcomings we suggest employing the same successful bottom-up strategy employed in LLMs but in a symbolic setting, resulting in explainable, language-agnostic, and ontologically grounded language models.
Authors: Rishit Dagli, Shivesh Prakash, Robert Wu, Houman Khosravani
Abstract: Generating combined visual and auditory sensory experiences is critical for the consumption of immersive content. Recent advances in neural generative models have enabled the creation of high-resolution content across multiple modalities such as images, text, speech, and videos. Despite these successes, there remains a significant gap in the generation of high-quality spatial audio that complements generated visual content. Furthermore, current audio generation models excel in either generating natural audio or speech or music but fall short in integrating spatial audio cues necessary for immersive experiences. In this work, we introduce SEE-2-SOUND, a zero-shot approach that decomposes the task into (1) identifying visual regions of interest; (2) locating these elements in 3D space; (3) generating mono-audio for each; and (4) integrating them into spatial audio. Using our framework, we demonstrate compelling results for generating spatial audio for high-quality videos, images, and dynamic images from the internet, as well as media generated by learned approaches.
Authors: Seungeun Rho, Laura Smith, Tianyu Li, Sergey Levine, Xue Bin Peng, Sehoon Ha
Abstract: Skill discovery methods enable agents to learn diverse emergent behaviors without explicit rewards. To make learned skills useful for unknown downstream tasks, obtaining a semantically diverse repertoire of skills is essential. While some approaches introduce a discriminator to distinguish skills and others aim to increase state coverage, no existing work directly addresses the "semantic diversity" of skills. We hypothesize that leveraging the semantic knowledge of large language models (LLMs) can lead us to improve semantic diversity of resulting behaviors. In this sense, we introduce Language Guided Skill Discovery (LGSD), a skill discovery framework that aims to directly maximize the semantic diversity between skills. LGSD takes user prompts as input and outputs a set of semantically distinctive skills. The prompts serve as a means to constrain the search space into a semantically desired subspace, and the generated LLM outputs guide the agent to visit semantically diverse states within the subspace. We demonstrate that LGSD enables legged robots to visit different user-intended areas on a plane by simply changing the prompt. Furthermore, we show that language guidance aids in discovering more diverse skills compared to five existing skill discovery methods in robot-arm manipulation environments. Lastly, LGSD provides a simple way of utilizing learned skills via natural language.
Authors: Masoumeh Farhadi Nia, Mohsen Ahmadi, Elyas Irankhah
Abstract: Artificial intelligence has dramatically reshaped our interaction with digital technologies, ushering in an era where advancements in AI algorithms and Large Language Models (LLMs) have natural language processing (NLP) systems like ChatGPT. This study delves into the impact of cutting-edge LLMs, notably OpenAI's ChatGPT, on medical diagnostics, with a keen focus on the dental sector. Leveraging publicly accessible datasets, these models augment the diagnostic capabilities of medical professionals, streamline communication between patients and healthcare providers, and enhance the efficiency of clinical procedures. The advent of ChatGPT-4 is poised to make substantial inroads into dental practices, especially in the realm of oral surgery. This paper sheds light on the current landscape and explores potential future research directions in the burgeoning field of LLMs, offering valuable insights for both practitioners and developers. Furthermore, it critically assesses the broad implications and challenges within various sectors, including academia and healthcare, thus mapping out an overview of AI's role in transforming dental diagnostics for enhanced patient care.
Authors: Shuo Yu, Fayez Alqahtani, Amr Tolba, Ivan Lee, Tao Jia, Feng Xia
Abstract: Scientific collaboration is a significant behavior in knowledge creation and idea exchange. To tackle large and complex research questions, a trend of team formation has been observed in recent decades. In this study, we focus on recognizing collaborative teams and exploring inner patterns using scholarly big graph data. We propose a collaborative team recognition (CORE) model with a "core + extension" team structure to recognize collaborative teams in large academic networks. In CORE, we combine an effective evaluation index called the collaboration intensity index with a series of structural features to recognize collaborative teams in which members are in close collaboration relationships. Then, CORE is used to guide the core team members to their extension members. CORE can also serve as the foundation for team-based research. The simulation results indicate that CORE reveals inner patterns of scientific collaboration: senior scholars have broad collaborative relationships and fixed collaboration patterns, which are the underlying mechanisms of team assembly. The experimental results demonstrate that CORE is promising compared with state-of-the-art methods.
Authors: Shuo Yu, Feng Xia, Yueru Wang, Shihao Li, Falih Febrinanto, Madhu Chetty
Abstract: COVID-19 as a global pandemic causes a massive disruption to social stability that threatens human life and the economy. Policymakers and all elements of society must deliver measurable actions based on the pandemic's severity to minimize the detrimental impact of COVID-19. A proper forecasting system is arguably important to provide an early signal of the risk of COVID-19 infection so that the authorities are ready to protect the people from the worst. However, making a good forecasting model for infection risks in different cities or regions is not an easy task, because it has a lot of influential factors that are difficult to be identified manually. To address the current limitations, we propose a deep graph learning model, called PANDORA, to predict the infection risks of COVID-19, by considering all essential factors and integrating them into a geographical network. The framework uses geographical position relations and transportation frequency as higher-order structural properties formulated by higher-order network structures (i.e., network motifs). Moreover, four significant node attributes (i.e., multiple features of a particular area, including climate, medical condition, economy, and human mobility) are also considered. We propose three different aggregators to better aggregate node attributes and structural features, namely, Hadamard, Summation, and Connection. Experimental results over real data show that PANDORA outperforms the baseline method with higher accuracy and faster convergence speed, no matter which aggregator is chosen. We believe that PANDORA using deep graph learning provides a promising approach to get superior performance in infection risk level forecasting and help humans battle the COVID-19 crisis.
Authors: Harry Li, Gabriel Appleby, Ashley Suh
Abstract: We present LinkQ, a system that leverages a large language model (LLM) to facilitate knowledge graph (KG) query construction through natural language question-answering. Traditional approaches often require detailed knowledge of complex graph querying languages, limiting the ability for users -- even experts -- to acquire valuable insights from KG data. LinkQ simplifies this process by first interpreting a user's question, then converting it into a well-formed KG query. By using the LLM to construct a query instead of directly answering the user's question, LinkQ guards against the LLM hallucinating or generating false, erroneous information. By integrating an LLM into LinkQ, users are able to conduct both exploratory and confirmatory data analysis, with the LLM helping to iteratively refine open-ended questions into precise ones. To demonstrate the efficacy of LinkQ, we conducted a qualitative study with five KG practitioners and distill their feedback. Our results indicate that practitioners find LinkQ effective for KG question-answering, and desire future LLM-assisted systems for the exploratory analysis of graph databases.
Authors: Jonathan Svirsky, Uri Shaham, Ofir Lindenbaum
Abstract: With the increasing prevalence of voice-activated devices and applications, keyword spotting (KWS) models enable users to interact with technology hands-free, enhancing convenience and accessibility in various contexts. Deploying KWS models on edge devices, such as smartphones and embedded systems, offers significant benefits for real-time applications, privacy, and bandwidth efficiency. However, these devices often possess limited computational power and memory. This necessitates optimizing neural network models for efficiency without significantly compromising their accuracy. To address these challenges, we propose a novel keyword-spotting model based on sparse input representation followed by a linear classifier. The model is four times faster than the previous state-of-the-art edge device-compatible model with better accuracy. We show that our method is also more robust in noisy environments while being fast. Our code is available at: https://github.com/jsvir/sparknet.
Authors: Gony Rosenman, Lior Wolf, Talma Hendler
Abstract: We employ a Large Language Model (LLM) to convert unstructured psychological interviews into structured questionnaires spanning various psychiatric and personality domains. The LLM is prompted to answer these questionnaires by impersonating the interviewee. The obtained answers are coded as features, which are used to predict standardized psychiatric measures of depression (PHQ-8) and PTSD (PCL-C), using a Random Forest regressor. Our approach is shown to enhance diagnostic accuracy compared to multiple baselines. It thus establishes a novel framework for interpreting unstructured psychological interviews, bridging the gap between narrative-driven and data-driven approaches for mental health assessment.
Authors: Muhammad Usman, M Husnain Shahid, Maheen Ejaz, Ummay Hani, Nayab Fatima, Abdul Rehman Khan, Asifullah Khan, Nasir Majid Mirza
Abstract: Jet tagging is an essential categorization problem in high energy physics. In recent times, Deep Learning has not only risen to the challenge of jet tagging but also significantly improved its performance. In this article, we propose an idea of a new architecture, Particle Multi-Axis transformer (ParMAT) which is a modified version of Particle transformer (ParT). ParMAT contains local and global spatial interactions within a single unit which improves its ability to handle various input lengths. We trained our model on JETCLASS, a publicly available large dataset that contains 100M jets of 10 different classes of particles. By integrating a parallel attention mechanism and pairwise interactions of particles in the attention mechanism,ParMAT achieves robustness and higher accuracy over the ParT and ParticleNet. The scalability of the model to huge datasets and its ability to automatically extract essential features demonstrate its potential for enhancing jet tagging.
Authors: Yun Bai, Simon Camal, Andrea Michiorri
Abstract: The relationship between energy demand and variables such as economic activity and weather is well established. However, this paper aims to explore the connection between energy demand and other social aspects, which receive little attention. Through the use of natural language processing on a large news corpus, we shed light on this important link. This study was carried out in five regions of the UK and Ireland and considers multiple horizons from 1 to 30 days. It also considers economic variables such as GDP, unemployment and inflation. We found that: 1) News about military conflicts, transportation, the global pandemic, regional economics, and the international energy market are related to electricity demand. 2) Economic indicators are more important in the East Midlands and Northern Ireland, while social indicators are more useful in the West Midlands and the South West of England. 3) The use of these indices improved forecasting performance by up to 9%.
Authors: Ruizhong Qiu, Weiliang Will Zeng, Hanghang Tong, James Ezick, Christopher Lott
Abstract: The emergence of large language models (LLMs) has significantly pushed the frontiers of program synthesis. Advancement of LLM-based program synthesis calls for a thorough evaluation of LLM-generated code. Most evaluation frameworks focus on the (functional) correctness of generated code; efficiency, as an important measure of code quality, has been overlooked in existing evaluations. In this work, we develop ENAMEL (EfficeNcy AutoMatic EvaLuator), a rigorous and high-standard benchmark for evaluating the capability of LLMs in generating efficient code. Firstly, we propose a new efficiency metric called eff@k, which generalizes the pass@k metric from correctness to efficiency and appropriately handles right-censored execution time. Furthermore, we derive an unbiased and variance-reduced estimator of eff@k via Rao--Blackwellization; we also provide a numerically stable implementation for the new estimator. Secondly, to set a high-standard for efficiency evaluation, we employ a human expert to design best algorithms and implementations as our reference solutions of efficiency, many of which are much more efficient than existing canonical solutions in HumanEval and HumanEval+. Moreover, to ensure a rigorous evaluation, we employ a human expert to curate strong test case generators to filter out wrong code and differentiate suboptimal algorithms. An extensive study across 30 popular LLMs using our benchmark ENAMEL shows that LLMs still fall short of generating expert-level efficient code. Using two subsets of our problem set, we demonstrate that such deficiency is because current LLMs struggle in designing advanced algorithms and are barely aware of implementation optimization. Our benchmark is publicly available at https://github.com/q-rz/enamel .
Authors: Jung-Ho Kim, Mathew Huerta-Enochian, Changyong Ko, Du Hui Lee
Abstract: Sign languages are multi-channel languages that communicate information through not just the hands (manual signals) but also facial expressions and upper body movements (non-manual signals). However, since automatic sign language translation is usually performed by generating a single sequence of glosses, researchers eschew non-manual and co-occurring manual signals in favor of a simplified list of manual glosses. This can lead to significant information loss and ambiguity. In this paper, we introduce a new task named multi-channel sign language translation (MCSLT) and present a novel metric, SignBLEU, designed to capture multiple signal channels. We validated SignBLEU on a system-level task using three sign language corpora with varied linguistic structures and transcription methodologies and examined its correlation with human judgment through two segment-level tasks. We found that SignBLEU consistently correlates better with human judgment than competing metrics. To facilitate further MCSLT research, we report benchmark scores for the three sign language corpora and release the source code for SignBLEU at https://github.com/eq4all-projects/SignBLEU.
Authors: Kai Liu, Haotong Qin, Yong Guo, Xin Yuan, Linghe Kong, Guihai Chen, Yulun Zhang
Abstract: Low-bit quantization has become widespread for compressing image super-resolution (SR) models for edge deployment, which allows advanced SR models to enjoy compact low-bit parameters and efficient integer/bitwise constructions for storage compression and inference acceleration, respectively. However, it is notorious that low-bit quantization degrades the accuracy of SR models compared to their full-precision (FP) counterparts. Despite several efforts to alleviate the degradation, the transformer-based SR model still suffers severe degradation due to its distinctive activation distribution. In this work, we present a dual-stage low-bit post-training quantization (PTQ) method for image super-resolution, namely 2DQuant, which achieves efficient and accurate SR under low-bit quantization. The proposed method first investigates the weight and activation and finds that the distribution is characterized by coexisting symmetry and asymmetry, long tails. Specifically, we propose Distribution-Oriented Bound Initialization (DOBI), using different searching strategies to search a coarse bound for quantizers. To obtain refined quantizer parameters, we further propose Distillation Quantization Calibration (DQC), which employs a distillation approach to make the quantized model learn from its FP counterpart. Through extensive experiments on different bits and scaling factors, the performance of DOBI can reach the state-of-the-art (SOTA) while after stage two, our method surpasses existing PTQ in both metrics and visual effects. 2DQuant gains an increase in PSNR as high as 4.52dB on Set5 (x2) compared with SOTA when quantized to 2-bit and enjoys a 3.60x compression ratio and 5.08x speedup ratio. The code and models will be available at https://github.com/Kai-Liu001/2DQuant.
Authors: Mohammadmahdi Toobaee, Andrea Schiffauerova, Ashkan Ebadi
Abstract: The role of geographical proximity in facilitating inter-regional or inter-organizational collaborations has been studied thoroughly in recent years. However, the effect of geographical proximity on forming scientific collaborations at the individual level still needs to be addressed. Using publication data in the field of artificial intelligence from 2001 to 2019, in this work, the effect of geographical proximity on the likelihood of forming future scientific collaborations among researchers is studied. In addition, the interaction between geographical and network proximities is examined to see whether network proximity can substitute geographical proximity in encouraging long-distance scientific collaborations. Employing conventional and machine learning techniques, our results suggest that geographical distance impedes scientific collaboration at the individual level despite the tremendous improvements in transportation and communication technologies during recent decades. Moreover, our findings show that the effect of network proximity on the likelihood of scientific collaboration increases with geographical distance, implying that network proximity can act as a substitute for geographical proximity.
Authors: Sakshi Mahendru, Tejul Pandit
Abstract: Phishing, whether through email, SMS, or malicious websites, poses a major threat to organizations by using social engineering to trick users into revealing sensitive information. It not only compromises company's data security but also incurs significant financial losses. In this paper, we investigate whether the remarkable performance of Large Language Models (LLMs) can be leveraged for particular task like text classification, particularly detecting malicious content and compare its results with state-of-the-art Deberta V3 (DeBERTa using ELECTRA-Style Pre-Training with Gradient-Disentangled Embedding Sharing) model. We systematically assess the potential and limitations of both approaches using comprehensive public datasets comprising diverse data sources such as email, HTML, URL, SMS, and synthetic data generation. Additionally, we demonstrate how LLMs can generate convincing phishing emails, making it harder to spot scams and evaluate the performance of both models in this context. Our study delves further into the challenges encountered by DeBERTa V3 during its training phases, fine-tuning methodology and transfer learning processes. Similarly, we examine the challenges associated with LLMs and assess their respective performance. Among our experimental approaches, the transformer-based DeBERTa method emerged as the most effective, achieving a test dataset (HuggingFace phishing dataset) recall (sensitivity) of 95.17% closely followed by GPT-4 providing a recall of 91.04%. We performed additional experiments with other datasets on the trained DeBERTa V3 model and LLMs like GPT 4 and Gemini 1.5. Based on our findings, we provide valuable insights into the effectiveness and robustness of these advanced language models, offering a detailed comparative analysis that can inform future research efforts in strengthening cybersecurity measures for detecting and mitigating phishing threats.
Authors: Neeraj Gaur, Rohan Agrawal, Gary Wang, Parisa Haghani, Andrew Rosenberg, Bhuvana Ramabhadran
Abstract: This paper introduces ASTRA, a novel method for improving Automatic Speech Recognition (ASR) through text injection.Unlike prevailing techniques, ASTRA eliminates the need for sampling to match sequence lengths between speech and text modalities. Instead, it leverages the inherent alignments learned within CTC/RNNT models. This approach offers the following two advantages, namely, avoiding potential misalignment between speech and text features that could arise from upsampling and eliminating the need for models to accurately predict duration of sub-word tokens. This novel formulation of modality (length) matching as a weighted RNNT objective matches the performance of the state-of-the-art duration-based methods on the FLEURS benchmark, while opening up other avenues of research in speech processing.
Authors: J\'er\'emie Cabessa, Hugo Hernault, Umer Mushtaq
Abstract: Large Language Models (LLMs) have become ubiquitous in NLP and deep learning. In-Context Learning (ICL) has been suggested as a bridging paradigm between the training-free and fine-tuning LLMs settings. In ICL, an LLM is conditioned to solve tasks by means of a few solved demonstration examples included as prompt. Argument Mining (AM) aims to extract the complex argumentative structure of a text, and Argument Type Classification (ATC) is an essential sub-task of AM. We introduce an ICL strategy for ATC combining kNN-based examples selection and majority vote ensembling. In the training-free ICL setting, we show that GPT-4 is able to leverage relevant information from only a few demonstration examples and achieve very competitive classification accuracy on ATC. We further set up a fine-tuning strategy incorporating well-crafted structural features given directly in textual form. In this setting, GPT-3.5 achieves state-of-the-art performance on ATC. Overall, these results emphasize the emergent ability of LLMs to grasp global discursive flow in raw text in both off-the-shelf and fine-tuned setups.
Authors: Manvik Pasula, Pramit Saha
Abstract: This paper introduces a simple yet effective strategy for exercise classification and muscle group activation prediction (MGAP). These tasks have significant implications for personal fitness, facilitating more affordable, accessible, safer, and simpler exercise routines. This is particularly relevant for novices and individuals with disabilities. Previous research in the field is mostly dominated by the reliance on mounted sensors and a limited scope of exercises, reducing practicality for everyday use. Furthermore, existing MGAP methodologies suffer from a similar dependency on sensors and a restricted range of muscle groups, often excluding strength training exercises, which are pivotal for a comprehensive fitness regimen. Addressing these limitations, our research employs a video-based deep learning framework that encompasses a broad spectrum of exercises and muscle groups, including those vital for strength training. Utilizing the "Workout/Exercises Video" dataset, our approach integrates the X3D and SlowFast video activity recognition models in an effective way to enhance exercise classification and MGAP performance. Our findings demonstrate that this hybrid method obtained via weighted ensemble outperforms existing baseline models in accuracy. Pretrained models play a crucial role in enhancing overall performance, with optimal channel reduction values for the SlowFast model identified near 10. Through an ablation study that explores fine-tuning, we further elucidate the interrelation between the two tasks. Our composite model, a weighted-average ensemble of X3D and SlowFast, sets a new benchmark in both exercise classification and MGAP across all evaluated categories, offering a robust solution to the limitations of previous approaches.
Authors: Ravisri Valluri, Akash Kumar Mohankumar, Kushal Dave, Amit Singh, Jian Jiao, Manik Varma, Gaurav Sinha
Abstract: Generative Retrieval introduces a new approach to Information Retrieval by reframing it as a constrained generation task, leveraging recent advancements in Autoregressive (AR) language models. However, AR-based Generative Retrieval methods suffer from high inference latency and cost compared to traditional dense retrieval techniques, limiting their practical applicability. This paper investigates fully Non-autoregressive (NAR) language models as a more efficient alternative for generative retrieval. While standard NAR models alleviate latency and cost concerns, they exhibit a significant drop in retrieval performance (compared to AR models) due to their inability to capture dependencies between target tokens. To address this, we question the conventional choice of limiting the target token space to solely words or sub-words. We propose PIXAR, a novel approach that expands the target vocabulary of NAR models to include multi-word entities and common phrases (up to 5 million tokens), thereby reducing token dependencies. PIXAR employs inference optimization strategies to maintain low inference latency despite the significantly larger vocabulary. Our results demonstrate that PIXAR achieves a relative improvement of 31.0% in MRR@10 on MS MARCO and 23.2% in Hits@5 on Natural Questions compared to standard NAR models with similar latency and cost. Furthermore, online A/B experiments on a large commercial search engine show that PIXAR increases ad clicks by 5.08% and revenue by 4.02%.
Authors: T. Tony Cai, Abhinav Chakraborty, Lasse Vuursteen
Abstract: Federated learning has attracted significant recent attention due to its applicability across a wide range of settings where data is collected and analyzed across disparate locations. In this paper, we study federated nonparametric goodness-of-fit testing in the white-noise-with-drift model under distributed differential privacy (DP) constraints. We first establish matching lower and upper bounds, up to a logarithmic factor, on the minimax separation rate. This optimal rate serves as a benchmark for the difficulty of the testing problem, factoring in model characteristics such as the number of observations, noise level, and regularity of the signal class, along with the strictness of the $(\epsilon,\delta)$-DP requirement. The results demonstrate interesting and novel phase transition phenomena. Furthermore, the results reveal an interesting phenomenon that distributed one-shot protocols with access to shared randomness outperform those without access to shared randomness. We also construct a data-driven testing procedure that possesses the ability to adapt to an unknown regularity parameter over a large collection of function classes with minimal additional cost, all while maintaining adherence to the same set of DP constraints.
Authors: T. Tony Cai, Abhinav Chakraborty, Lasse Vuursteen
Abstract: This paper studies federated learning for nonparametric regression in the context of distributed samples across different servers, each adhering to distinct differential privacy constraints. The setting we consider is heterogeneous, encompassing both varying sample sizes and differential privacy constraints across servers. Within this framework, both global and pointwise estimation are considered, and optimal rates of convergence over the Besov spaces are established. Distributed privacy-preserving estimators are proposed and their risk properties are investigated. Matching minimax lower bounds, up to a logarithmic factor, are established for both global and pointwise estimation. Together, these findings shed light on the tradeoff between statistical accuracy and privacy preservation. In particular, we characterize the compromise not only in terms of the privacy budget but also concerning the loss incurred by distributing data within the privacy framework as a whole. This insight captures the folklore wisdom that it is easier to retain privacy in larger samples, and explores the differences between pointwise and global estimation under distributed privacy constraints.
Authors: Ruoxuan Xiong, Alex Chin, Sean J. Taylor
Abstract: We study the design and analysis of switchback experiments conducted on a single aggregate unit. The design problem is to partition the continuous time space into intervals and switch treatments between intervals, in order to minimize the estimation error of the treatment effect. We show that the estimation error depends on four factors: carryover effects, periodicity, serially correlated outcomes, and impacts from simultaneous experiments. We derive a rigorous bias-variance decomposition and show the tradeoffs of the estimation error from these factors. The decomposition provides three new insights in choosing a design: First, balancing the periodicity between treated and control intervals reduces the variance; second, switching less frequently reduces the bias from carryover effects while increasing the variance from correlated outcomes, and vice versa; third, randomizing interval start and end points reduces both bias and variance from simultaneous experiments. Combining these insights, we propose a new empirical Bayes design approach. This approach uses prior data and experiments for designing future experiments. We illustrate this approach using real data from a ride-sharing platform, yielding a design that reduces MSE by 33% compared to the status quo design used on the platform.
Authors: James Lowman, Kelly Liu Zheng, Roydon Fraser, Jesse Van Griensven The, Mojtaba Valipour
Abstract: SeeFar is an evolving collection of multi-resolution satellite images from public and commercial satellites. We specifically curated this dataset for training geospatial foundation models, unconstrained by satellite type. In recent years, advances in technology have made satellite imagery more accessible than ever. More earth-observing satellites have been launched in the last five years than in the previous fifty. Modern commercial satellites now offer up to 100 times the spatial resolution of public access satellites. However, the high cost and limited historical availability of commercial satellite imagery is a barrier to the training of foundational models, impacting what images can be used during inference. The SeeFar dataset represents a step towards training models that are satellite-agnostic by combining multi-resolution commercial and public access pre-processed images. This will enable users to utilize historical data alongside higher-resolution, more expensive satellite imagery, offering greater flexibility during inference. To achieve this, we describe a process for standardizing data from diverse satellite sources, normalizing different data formats, and aligning spectral bands to enhance interoperability. The SeeFar dataset includes images at a resolution of 384x384 pixels, spanning four spectral bands (Blue, Green, Red, and Near-Infrared) and expanding spatial resolutions (starting with 30, 10, 1.5, and 1.0 meters), all in cloud-optimized GeoTIFF format. It also provides consistent and comprehensive metadata to enhance data transparency and reliability. By aggregating data from multiple sources, SeeFar makes processed and consistent satellite data accessible to a wider range of users - from researchers to policymakers - fostering competition and innovation in satellite imagery analysis. The dataset is available at \url{coastalcarbon.ai/seefar}.
Authors: Jason Wu, Ziqi Wang, Xiaomin Ouyang, Ho Lyun Jeong, Colin Samplawski, Lance Kaplan, Benjamin Marlin, Mani Srivastava
Abstract: Localization is a critical technology for various applications ranging from navigation and surveillance to assisted living. Localization systems typically fuse information from sensors viewing the scene from different perspectives to estimate the target location while also employing multiple modalities for enhanced robustness and accuracy. Recently, such systems have employed end-to-end deep neural models trained on large datasets due to their superior performance and ability to handle data from diverse sensor modalities. However, such neural models are often trained on data collected from a particular set of sensor poses (i.e., locations and orientations). During real-world deployments, slight deviations from these sensor poses can result in extreme inaccuracies. To address this challenge, we introduce FlexLoc, which employs conditional neural networks to inject node perspective information to adapt the localization pipeline. Specifically, a small subset of model weights are derived from node poses at run time, enabling accurate generalization to unseen perspectives with minimal additional overhead. Our evaluations on a multimodal, multiview indoor tracking dataset showcase that FlexLoc improves the localization accuracy by almost 50% in the zero-shot case (no calibration data available) compared to the baselines. The source code of FlexLoc is available at https://github.com/nesl/FlexLoc.
Authors: Qing Feng, Tianyi Ma, Ruihao Zhu
Abstract: Motivated by the concept of satisficing in decision-making, we consider the problem of satisficing exploration in bandit optimization. In this setting, the learner aims at selecting satisficing arms (arms with mean reward exceeding a certain threshold value) as frequently as possible. The performance is measured by satisficing regret, which is the cumulative deficit of the chosen arm's mean reward compared to the threshold. We propose SELECT, a general algorithmic template for Satisficing Exploration via LowEr Confidence bound Testing, that attains constant satisficing regret for a wide variety of bandit optimization problems in the realizable case (i.e., a satisficing arm exists). Specifically, given a class of bandit optimization problems and a corresponding learning oracle with sub-linear (standard) regret upper bound, SELECT iteratively makes use of the oracle to identify a potential satisficing arm with low regret. Then, it collects data samples from this arm, and continuously compares the LCB of the identified arm's mean reward against the threshold value to determine if it is a satisficing arm. As a complement, SELECT also enjoys the same (standard) regret guarantee as the oracle in the non-realizable case. Finally, we conduct numerical experiments to validate the performance of SELECT for several popular bandit optimization settings.
Authors: Ying Feng, Aayush Jain, David P. Woodruff
Abstract: Recently, the question of adversarially robust streaming, where the stream is allowed to depend on the randomness of the streaming algorithm, has gained a lot of attention. In this work, we consider a strong white-box adversarial model (Ajtai et al. PODS 2022), in which the adversary has access to all past random coins and the parameters used by the streaming algorithm. We focus on the sparse recovery problem and extend our result to other tasks such as distinct element estimation and low-rank approximation of matrices and tensors. The main drawback of previous work is that it requires a random oracle, which is especially problematic in the streaming model since the amount of randomness is counted in the space complexity of a streaming algorithm. Also, the previous work suffers from large update time. We construct a near-optimal solution for the sparse recovery problem in white-box adversarial streams, based on the subexponentially secure Learning with Errors assumption. Importantly, our solution does not require a random oracle and has a polylogarithmic per item processing time. We also give results in a related white-box adversarially robust distributed model. Our constructions are based on homomorphic encryption schemes satisfying very mild structural properties that are currently satisfied by most known schemes.
Authors: Jan-Martin O. Steitz, Stefan Roth
Abstract: Adapters provide an efficient and lightweight mechanism for adapting trained transformer models to a variety of different tasks. However, they have often been found to be outperformed by other adaptation mechanisms, including low-rank adaptation. In this paper, we provide an in-depth study of adapters, their internal structure, as well as various implementation choices. We uncover pitfalls for using adapters and suggest a concrete, improved adapter architecture, called Adapter+, that not only outperforms previous adapter implementations but surpasses a number of other, more complex adaptation mechanisms in several challenging settings. Despite this, our suggested adapter is highly robust and, unlike previous work, requires little to no manual intervention when addressing a novel scenario. Adapter+ reaches state-of-the-art average accuracy on the VTAB benchmark, even without a per-task hyperparameter optimization.
Authors: Mingtao Xia, Qijing Shen
Abstract: In this paper, we propose a local squared Wasserstein-2 (W_2) method to solve the inverse problem of reconstructing models with uncertain latent variables or parameters. A key advantage of our approach is that it does not require prior information on the distribution of the latent variables or parameters in the underlying models. Instead, our method can efficiently reconstruct the distributions of the output associated with different inputs based on empirical distributions of observation data. We demonstrate the effectiveness of our proposed method across several uncertainty quantification (UQ) tasks, including linear regression with coefficient uncertainty, training neural networks with weight uncertainty, and reconstructing ordinary differential equations (ODEs) with a latent random variable.
Authors: Julia Kruk, Michela Marchini, Rijul Ragu, Caleb Ziems, David Muchlinski, Diyi Yang
Abstract: A dog whistle is a form of coded communication that carries a secondary meaning to specific audiences and is often weaponized for racial and socioeconomic discrimination. Dog whistling historically originated from United States politics, but in recent years has taken root in social media as a means of evading hate speech detection systems and maintaining plausible deniability. In this paper, we present an approach for word-sense disambiguation of dog whistles from standard speech using Large Language Models (LLMs), and leverage this technique to create a dataset of 16,550 high-confidence coded examples of dog whistles used in formal and informal communication. Silent Signals is the largest dataset of disambiguated dog whistle usage, created for applications in hate speech detection, neology, and political science. The dataset can be found at https://huggingface.co/datasets/SALT-NLP/silent_signals.
URLs: https://huggingface.co/datasets/SALT-NLP/silent_signals.
Authors: Emilia Siviero, Guillaume Staerman, Stephan Cl\'emen\c{c}on, Thomas Moreau
Abstract: Many modern spatio-temporal data sets, in sociology, epidemiology or seismology, for example, exhibit self-exciting characteristics, triggering and clustering behaviors both at the same time, that a suitable Hawkes space-time process can accurately capture. This paper aims to develop a fast and flexible parametric inference technique to recover the parameters of the kernel functions involved in the intensity function of a space-time Hawkes process based on such data. Our statistical approach combines three key ingredients: 1) kernels with finite support are considered, 2) the space-time domain is appropriately discretized, and 3) (approximate) precomputations are used. The inference technique we propose then consists of a $\ell_2$ gradient-based solver that is fast and statistically accurate. In addition to describing the algorithmic aspects, numerical experiments have been carried out on synthetic and real spatio-temporal data, providing solid empirical evidence of the relevance of the proposed methodology.
Authors: Jiung Lee, Hongseok Namkoong, Yibo Zeng
Abstract: To leverage prediction models to make optimal scheduling decisions in service systems, we must understand how predictive errors impact congestion due to externalities on the delay of other jobs. Motivated by applications where prediction models interact with human servers (e.g., content moderation), we consider a large queueing system comprising of many single server queues where the class of a job is estimated using a prediction model. By characterizing the impact of mispredictions on congestion cost in heavy traffic, we design an index-based policy that incorporates the predicted class information in a near-optimal manner. Our theoretical results guide the design of predictive models by providing a simple model selection procedure with downstream queueing performance as a central concern, and offer novel insights on how to design queueing systems with AI-based triage. We illustrate our framework on a content moderation task based on real online comments, where we construct toxicity classifiers by finetuning large language models.
Authors: Dylan Zhang, Shizhe Diao, Xueyan Zou, Hao Peng
Abstract: Instruction-finetuned code language models (LMs) have shown promise in various programming tasks. They are trained, using a language modeling objective, on natural language instructions and gold code snippet pairs. Recent evidence suggests that these models, never exposed to incorrect solutions during training, often struggle to distinguish between correct and incorrect solutions. This observation raises our inquiry: Can preference learning, which trains models to prefer correct solutions over incorrect ones, help push the boundaries of code LMs even further? We propose PLUM, a novel \textbf{p}reference \textbf{l}earning framework a\textbf{u}gmented with test cases tailored for code L\textbf{M}s.PLUM aims to investigate the key success factors and potential benefits of preference learning in code LMs, which remain elusive despite its success in aligning LMs with human values. PLUM consists of three stages: (1) Generating test cases for natural language instructions, (2) sampling candidate solutions from the policy and evaluating them against the test cases to create a preference dataset, which is then used to (3) train the policy with a preference learning algorithm. Experiments demonstrate that PLUM substantially improves the performance of existing code LMs on established code generation benchmarks such as HumanEval (+) and MBPP (+), even for the state-of-the-art open-source language model CodeQwen-1.5-7B-Chat. PLUM complements the supervised fine-tuning (SFT) stage, demonstrating synergistic effects.
Authors: Zixuan Wang, Stanley Wei, Daniel Hsu, Jason D. Lee
Abstract: The transformer architecture has prevailed in various deep learning settings due to its exceptional capabilities to select and compose structural information. Motivated by these capabilities, Sanford et al. proposed the sparse token selection task, in which transformers excel while fully-connected networks (FCNs) fail in the worst case. Building upon that, we strengthen the FCN lower bound to an average-case setting and establish an algorithmic separation of transformers over FCNs. Specifically, a one-layer transformer trained with gradient descent provably learns the sparse token selection task and, surprisingly, exhibits strong out-of-distribution length generalization. We provide empirical simulations to justify our theoretical findings.
Authors: Keli Liu, Feng Ruan
Abstract: A simple and intuitive method for feature selection consists of choosing the feature subset that maximizes a nonparametric measure of dependence between the response and the features. A popular proposal from the literature uses the Hilbert-Schmidt Independence Criterion (HSIC) as the nonparametric dependence measure. The rationale behind this approach to feature selection is that important features will exhibit a high dependence with the response and their inclusion in the set of selected features will increase the HSIC. Through counterexamples, we demonstrate that this rationale is flawed and that feature selection via HSIC maximization can miss critical features.
Authors: Shester Gueuwou, Xiaodan Du, Greg Shakhnarovich, Karen Livescu
Abstract: A persistent challenge in sign language video processing, including the task of sign language to written language translation, is how we learn representations of sign language in an effective and efficient way that can preserve the important attributes of these languages, while remaining invariant to irrelevant visual differences. Informed by the nature and linguistics of signed languages, our proposed method focuses on just the most relevant parts in a signing video: the face, hands and body posture of the signer. However, instead of using pose estimation coordinates from off-the-shelf pose tracking models, which have inconsistent performance for hands and faces, we propose to learn the complex handshapes and rich facial expressions of sign languages in a self-supervised fashion. Our approach is based on learning from individual frames (rather than video sequences) and is therefore much more efficient than prior work on sign language pre-training. Compared to a recent model that established a new state of the art in sign language translation on the How2Sign dataset, our approach yields similar translation performance, using less than 3\% of the compute.
Authors: Yujeong Choi, Jiin Kim, Minsoo Rhu
Abstract: With the increasing popularity of recommendation systems (RecSys), the demand for compute resources in datacenters has surged. However, the model-wise resource allocation employed in current RecSys model serving architectures falls short in effectively utilizing resources, leading to sub-optimal total cost of ownership. We propose ElasticRec, a model serving architecture for RecSys providing resource elasticity and high memory efficiency. ElasticRec is based on a microservice-based software architecture for fine-grained resource allocation, tailored to the heterogeneous resource demands of RecSys. Additionally, ElasticRec achieves high memory efficiency via our utility-based resource allocation. Overall, ElasticRec achieves an average 3.3x reduction in memory allocation size and 8.1x increase in memory utility, resulting in an average 1.6x reduction in deployment cost compared to state-of-the-art RecSys inference serving system.
Authors: Xin Yuan, Rana Hanocka, Michael Maire
Abstract: We cast multiview reconstruction from unknown pose as a generative modeling problem. From a collection of unannotated 2D images of a scene, our approach simultaneously learns both a network to predict camera pose from 2D image input, as well as the parameters of a Neural Radiance Field (NeRF) for the 3D scene. To drive learning, we wrap both the pose prediction network and NeRF inside a Denoising Diffusion Probabilistic Model (DDPM) and train the system via the standard denoising objective. Our framework requires the system accomplish the task of denoising an input 2D image by predicting its pose and rendering the NeRF from that pose. Learning to denoise thus forces the system to concurrently learn the underlying 3D NeRF representation and a mapping from images to camera extrinsic parameters. To facilitate the latter, we design a custom network architecture to represent pose as a distribution, granting implicit capacity for discovering view correspondences when trained end-to-end for denoising alone. This technique allows our system to successfully build NeRFs, without pose knowledge, for challenging scenes where competing methods fail. At the conclusion of training, our learned NeRF can be extracted and used as a 3D scene model; our full system can be used to sample novel camera poses and generate novel-view images.
Authors: Felix Schur, Jonas Peters
Abstract: Causal inference on time series data is a challenging problem, especially in the presence of unobserved confounders. This work focuses on estimating the causal effect between two time series, which are confounded by a third, unobserved time series. Assuming spectral sparsity of the confounder, we show how in the frequency domain this problem can be framed as an adversarial outlier problem. We introduce Deconfounding by Robust regression (DecoR), a novel approach that estimates the causal effect using robust linear regression in the frequency domain. Considering two different robust regression techniques, we first improve existing bounds on the estimation error for such techniques. Crucially, our results do not require distributional assumptions on the covariates. We can therefore use them in time series settings. Applying these results to DecoR, we prove, under suitable assumptions, upper bounds for the estimation error of DecoR that imply consistency. We show DecoR's effectiveness through experiments on synthetic data. Our experiments furthermore suggest that our method is robust with respect to model misspecification.
Authors: Boyang Li, Yulin Wu, Nuoxian Huang
Abstract: Understanding spatial location and relationships is a fundamental capability for modern artificial intelligence systems. Insights from human spatial cognition provide valuable guidance in this domain. Recent neuroscientific discoveries have highlighted the role of grid cells as a fundamental neural component for spatial representation, including distance computation, path integration, and scale discernment. In this paper, we introduce a novel positional encoding scheme inspired by Fourier analysis and the latest findings in computational neuroscience regarding grid cells. Assuming that grid cells encode spatial position through a summation of Fourier basis functions, we demonstrate the translational invariance of the grid representation during inner product calculations. Additionally, we derive an optimal grid scale ratio for multi-dimensional Euclidean spaces based on principles of biological efficiency. Utilizing these computational principles, we have developed a **Grid**-cell inspired **Positional Encoding** technique, termed **GridPE**, for encoding locations within high-dimensional spaces. We integrated GridPE into the Pyramid Vision Transformer architecture. Our theoretical analysis shows that GridPE provides a unifying framework for positional encoding in arbitrary high-dimensional spaces. Experimental results demonstrate that GridPE significantly enhances the performance of transformers, underscoring the importance of incorporating neuroscientific insights into the design of artificial intelligence systems.
Authors: Girma M. Yilma, Jose A. Ayala-Romero, Andres Garcia-Saavedra, Xavier Costa-Perez
Abstract: Large Language Models (LLMs) have immense potential to transform the telecommunications industry. They could help professionals understand complex standards, generate code, and accelerate development. However, traditional LLMs struggle with the precision and source verification essential for telecom work. To address this, specialized LLM-based solutions tailored to telecommunication standards are needed. Retrieval-augmented generation (RAG) offers a way to create precise, fact-based answers. This paper proposes TelecomRAG, a framework for a Telecommunication Standards Assistant that provides accurate, detailed, and verifiable responses. Our implementation, using a knowledge base built from 3GPP Release 16 and Release 18 specification documents, demonstrates how this assistant surpasses generic LLMs, offering superior accuracy, technical depth, and verifiability, and thus significant value to the telecommunications field.
Authors: Yichi Zhang, Yao Huang, Yitong Sun, Chang Liu, Zhe Zhao, Zhengwei Fang, Yifan Wang, Huanran Chen, Xiao Yang, Xingxing Wei, Hang Su, Yinpeng Dong, Jun Zhu
Abstract: Despite the superior capabilities of Multimodal Large Language Models (MLLMs) across diverse tasks, they still face significant trustworthiness challenges. Yet, current literature on the assessment of trustworthy MLLMs remains limited, lacking a holistic evaluation to offer thorough insights into future improvements. In this work, we establish MultiTrust, the first comprehensive and unified benchmark on the trustworthiness of MLLMs across five primary aspects: truthfulness, safety, robustness, fairness, and privacy. Our benchmark employs a rigorous evaluation strategy that addresses both multimodal risks and cross-modal impacts, encompassing 32 diverse tasks with self-curated datasets. Extensive experiments with 21 modern MLLMs reveal some previously unexplored trustworthiness issues and risks, highlighting the complexities introduced by the multimodality and underscoring the necessity for advanced methodologies to enhance their reliability. For instance, typical proprietary models still struggle with the perception of visually confusing images and are vulnerable to multimodal jailbreaking and adversarial attacks; MLLMs are more inclined to disclose privacy in text and reveal ideological and cultural biases even when paired with irrelevant images in inference, indicating that the multimodality amplifies the internal risks from base LLMs. Additionally, we release a scalable toolbox for standardized trustworthiness research, aiming to facilitate future advancements in this important field. Code and resources are publicly available at: https://multi-trust.github.io/.
Authors: Lingyun Gao, Cristian Tejedor-Garcia, Helmer Strik, Catia Cucchiarini
Abstract: Automatic reading diagnosis systems can benefit both teachers for more efficient scoring of reading exercises and students for accessing reading exercises with feedback more easily. However, there are limited studies on Automatic Speech Recognition (ASR) for child speech in languages other than English, and limited research on ASR-based reading diagnosis systems. This study investigates how efficiently state-of-the-art (SOTA) pretrained ASR models recognize Dutch native children speech and manage to detect reading miscues. We found that Hubert Large finetuned on Dutch speech achieves SOTA phoneme-level child speech recognition (PER at 23.1\%), while Whisper (Faster Whisper Large-v2) achieves SOTA word-level performance (WER at 9.8\%). Our findings suggest that Wav2Vec2 Large and Whisper are the two best ASR models for reading miscue detection. Specifically, Wav2Vec2 Large shows the highest recall at 0.83, whereas Whisper exhibits the highest precision at 0.52 and an F1 score of 0.52.
Authors: Elies Gil-Fuster, Casper Gyurik, Adri\'an P\'erez-Salinas, Vedran Dunjko
Abstract: The quest for successful variational quantum machine learning (QML) relies on the design of suitable parametrized quantum circuits (PQCs), as analogues to neural networks in classical machine learning. Successful QML models must fulfill the properties of trainability and non-dequantization, among others. Recent works have highlighted an intricate interplay between trainability and dequantization of such models, which is still unresolved. In this work we contribute to this debate from the perspective of machine learning, proving a number of results identifying, among others when trainability and non-dequantization are not mutually exclusive. We begin by providing a number of new somewhat broader definitions of the relevant concepts, compared to what is found in other literature, which are operationally motivated, and consistent with prior art. With these precise definitions given and motivated, we then study the relation between trainability and dequantization of variational QML. Next, we also discuss the degrees of "variationalness" of QML models, where we distinguish between models like the hardware efficient ansatz and quantum kernel methods. Finally, we introduce recipes for building PQC-based QML models which are both trainable and nondequantizable, and corresponding to different degrees of variationalness. We do not address the practical utility for such models. Our work however does point toward a way forward for finding more general constructions, for which finding applications may become feasible.
Authors: Andrei Andrusenko, Aleksandr Laptev, Vladimir Bataev, Vitaly Lavrukhin, Boris Ginsburg
Abstract: Accurate recognition of rare and new words remains a pressing problem for contextualized Automatic Speech Recognition (ASR) systems. Most context-biasing methods involve modification of the ASR model or the beam-search decoding algorithm, complicating model reuse and slowing down inference. This work presents a new approach to fast context-biasing with CTC-based Word Spotter (CTC-WS) for CTC and Transducer (RNN-T) ASR models. The proposed method matches CTC log-probabilities against a compact context graph to detect potential context-biasing candidates. The valid candidates then replace their greedy recognition counterparts in corresponding frame intervals. A Hybrid Transducer-CTC model enables the CTC-WS application for the Transducer model. The results demonstrate a significant acceleration of the context-biasing recognition with a simultaneous improvement in F-score and WER compared to baseline methods. The proposed method is publicly available in the NVIDIA NeMo toolkit.
Authors: Sijia Chen, Yibo Wang, Yi-Feng Wu, Qing-Guo Chen, Zhao Xu, Weihua Luo, Kaifu Zhang, Lijun Zhang
Abstract: Tool-augmented large language models (LLMs) leverage tools, often in the form of APIs, to enhance their reasoning capabilities on complex tasks, thus taking on the role of intelligent agents interacting with the real world. The recently introduced ToolLLaMA model by Qin et al. [2024] utilizes the depth-first search-based decision tree (DFSDT) method for reasoning with $16000+$ real-world APIs, which effectively improves the planning and inferencing performance of tool-augmented LLMs compared to traditional chain reasoning approaches. However, their approach only employs successful paths from decision trees (also called inference trees) for supervised fine-tuning (SFT) during training, which does not fully exploit the advantages of the tree of thought. In this study, we propose an inference trajectory optimization framework based on the preference data extracted from decision trees to address this limitation. We first introduce a novel method for constructing preference data from the tree of thought, capitalizing on the failed explorations previously overlooked in the trees. Specifically, we generate an effective step-wise preference dataset, named ToolPreference, for tool use based on the ToolBench dataset. In the subsequent training phase, we first fine-tune the LLM with tool-usage expert trajectories and then use these step-wise preference pairs for direct preference optimization (DPO) to update the policy of the LLM, resulting in our ToolPrefer-LLaMA (TP-LLaMA) model. Our experiments demonstrate that by obtaining insights from errors in inference trees, TP-LLaMA significantly outperforms the baselines across almost all test scenarios by a large margin and exhibits better generalization capabilities with unseen APIs. At the same time, TP-LLaMA has also demonstrated superior reasoning efficiency compared to the baselines, making it more suitable for complex tool-usage reasoning tasks.
Authors: Zhao Wang, Briti Gangopadhyay, Jia-Fong Yeh, Shingo Takamatsu
Abstract: Recent advancements in offline Reinforcement Learning (Offline RL) have led to an increased focus on methods based on conservative policy updates to address the Out-of-Distribution (OOD) issue. These methods typically involve adding behavior regularization or modifying the critic learning objective, focusing primarily on states or actions with substantial dataset support. However, we challenge this prevailing notion by asserting that the absence of an action or state from a dataset does not necessarily imply its suboptimality. In this paper, we propose a novel approach to tackle the OOD problem. We introduce an offline RL teacher-student framework, complemented by a policy similarity measure. This framework enables the student policy to gain insights not only from the offline RL dataset but also from the knowledge transferred by a teacher policy. The teacher policy is trained using another dataset consisting of state-action pairs, which can be viewed as practical domain knowledge acquired without direct interaction with the environment. We believe this additional knowledge is key to effectively solving the OOD issue. This research represents a significant advancement in integrating a teacher-student network into the actor-critic framework, opening new avenues for studies on knowledge transfer in offline RL and effectively addressing the OOD challenge.
Authors: Hoang M. Ngo, Nguyen H K. Do, Minh N. Vu, Tamer Kahveci, My T. Thai
Abstract: Quantum Annealing (QA) holds great potential for solving combinatorial optimization problems efficiently. However, the effectiveness of QA algorithms heavily relies on the embedding of problem instances, represented as logical graphs, into the quantum unit processing (QPU) whose topology is in form of a limited connectivity graph, known as the minor embedding Problem. Existing methods for the minor embedding problem suffer from scalability issues when confronted with larger problem sizes. In this paper, we propose a novel approach utilizing Reinforcement Learning (RL) techniques to address the minor embedding problem, named CHARME. CHARME includes three key components: a Graph Neural Network (GNN) architecture for policy modeling, a state transition algorithm ensuring solution validity, and an order exploration strategy for effective training. Through comprehensive experiments on synthetic and real-world instances, we demonstrate that the efficiency of our proposed order exploration strategy as well as our proposed RL framework, CHARME. In details, CHARME yields superior solutions compared to fast embedding methods such as Minorminer and ATOM. Moreover, our method surpasses the OCT-based approach, known for its slower runtime but high-quality solutions, in several cases. In addition, our proposed exploration enhances the efficiency of the training of the CHARME framework by providing better solutions compared to the greedy strategy.
Authors: Sadek Misto Kirdi, Nicola Scarano, Franco Oberti, Luca Mannella, Stefano Di Carlo, Alessandro Savino
Abstract: Modern vehicles are increasingly vulnerable to attacks that exploit network infrastructures, particularly the Controller Area Network (CAN) networks. To effectively counter such threats using contemporary tools like Intrusion Detection Systems (IDSs) based on data analysis and classification, large datasets of CAN messages become imperative. This paper delves into the feasibility of generating synthetic datasets by harnessing the modeling capabilities of simulation frameworks such as Simulink coupled with a robust representation of attack models to present CARACAS, a vehicular model, including component control via CAN messages and attack injection capabilities. CARACAS showcases the efficacy of this methodology, including a Battery Electric Vehicle (BEV) model, and focuses on attacks targeting torque control in two distinct scenarios.
Authors: Auguste Poiroux, Gail Weiss, Viktor Kun\v{c}ak, Antoine Bosselut
Abstract: Large language models show promise for autoformalization, the task of automatically translating natural language into formal languages. However, current autoformalization methods remain limited. The last reported state-of-the-art performance on the ProofNet formalization benchmark for the Lean proof assistant, achieved using Codex for Lean 3, only showed successful formalization of 16.1% of informal statements. Similarly, our evaluation of GPT-4o for Lean 4 only produces successful translations 34.9% of the time. Our analysis shows that the performance of these models is largely limited by their inability to generate formal statements that successfully type-check (i.e., are syntactically correct and consistent with types) - with a whopping 86.6% of GPT-4o errors starting from a type-check failure. In this work, we propose a method to fix this issue through decoding with type-check filtering, where we initially sample a diverse set of candidate formalizations for an informal statement, then use the Lean proof assistant to filter out candidates that do not type-check. Using GPT-4o as a base model, and combining our method with self-consistency, we obtain a +18.3% absolute increase in formalization accuracy, and achieve a new state-of-the-art of 53.2% on ProofNet with Lean 4.
Authors: \'Angel Poc-L\'opez, Miguel Aguilera
Abstract: Transformer-based models have demonstrated exceptional performance across diverse domains, becoming the state-of-the-art solution for addressing sequential machine learning problems. Even though we have a general understanding of the fundamental components in the transformer architecture, little is known about how they operate or what are their expected dynamics. Recently, there has been an increasing interest in exploring the relationship between attention mechanisms and Hopfield networks, promising to shed light on the statistical physics of transformer networks. However, to date, the dynamical regimes of transformer-like models have not been studied in depth. In this paper, we address this gap by using methods for the study of asymmetric Hopfield networks in nonequilibrium regimes --namely path integral methods over generating functionals, yielding dynamics governed by concurrent mean-field variables. Assuming 1-bit tokens and weights, we derive analytical approximations for the behavior of large self-attention neural networks coupled to a softmax output, which become exact in the large limit size. Our findings reveal nontrivial dynamical phenomena, including nonequilibrium phase transitions associated with chaotic bifurcations, even for very simple configurations with a few encoded features and a very short context window. Finally, we discuss the potential of our analytic approach to improve our understanding of the inner workings of transformer models, potentially reducing computational training costs and enhancing model interpretability.
Authors: Tomoya Nishida, Noboru Harada, Daisuke Niizumi, Davide Albertini, Roberto Sannino, Simone Pradolini, Filippo Augusti, Keisuke Imoto, Kota Dohi, Harsh Purohit, Takashi Endo, Yohei Kawaguchi
Abstract: We present the task description of the Detection and Classification of Acoustic Scenes and Events (DCASE) 2024 Challenge Task 2: First-shot unsupervised anomalous sound detection (ASD) for machine condition monitoring. Continuing from last year's DCASE 2023 Challenge Task 2, we organize the task as a first-shot problem under domain generalization required settings. The main goal of the first-shot problem is to enable rapid deployment of ASD systems for new kinds of machines without the need for machine-specific hyperparameter tunings. This problem setting was realized by (1) giving only one section for each machine type and (2) having completely different machine types for the development and evaluation datasets. For the DCASE 2024 Challenge Task 2, data of completely new machine types were newly collected and provided as the evaluation dataset. In addition, attribute information such as the machine operation conditions were concealed for several machine types to mimic situations where such information are unavailable. We will add challenge results and analysis of the submissions after the challenge submission deadline.
Authors: Christopher Culver, Peter Hicks, Mihailo Milenkovic, Sanjif Shanmugavelu, Tobias Becker
Abstract: We provide an overview of the emergence of large language models for scientific computing applications. We highlight use cases that involve natural language processing of scientific documents and specialized languages designed to describe physical systems. For the former, chatbot style applications appear in medicine, mathematics and physics and can be used iteratively with domain experts for problem solving. We also review specialized languages within molecular biology, the languages of molecules, proteins, and DNA where language models are being used to predict properties and even create novel physical systems at much faster rates than traditional computing methods.
Authors: Livia Qian, Gabriel Skantze
Abstract: Short feedback responses, such as backchannels, play an important role in spoken dialogue. So far, most of the modeling of feedback responses has focused on their timing, often neglecting how their lexical and prosodic form influence their contextual appropriateness and conversational function. In this paper, we investigate the possibility of embedding short dialogue contexts and feedback responses in the same representation space using a contrastive learning objective. In our evaluation, we primarily focus on how such embeddings can be used as a context-feedback appropriateness metric and thus for feedback response ranking in U.S. English dialogues. Our results show that the model outperforms humans given the same ranking task and that the learned embeddings carry information about the conversational function of feedback responses.
Authors: Julen Etxaniz, Gorka Azkune, Aitor Soroa, Oier Lopez de Lacalle, Mikel Artetxe
Abstract: Large Language Models (LLMs) exhibit extensive knowledge about the world, but most evaluations have been limited to global or anglocentric subjects. This raises the question of how well these models perform on topics relevant to other cultures, whose presence on the web is not that prominent. To address this gap, we introduce BertaQA, a multiple-choice trivia dataset that is parallel in English and Basque. The dataset consists of a local subset with questions pertinent to the Basque culture, and a global subset with questions of broader interest. We find that state-of-the-art LLMs struggle with local cultural knowledge, even as they excel on global topics. However, we show that continued pre-training in Basque significantly improves the models' performance on Basque culture, even when queried in English. To our knowledge, this is the first solid evidence of knowledge transfer from a low-resource to a high-resource language. Our analysis sheds light on the complex interplay between language and knowledge, and reveals that some prior findings do not fully hold when reassessed on local topics. Our dataset and evaluation code are available under open licenses at https://github.com/juletx/BertaQA.
Authors: Constantin Waubert de Puiseau, Christian D\"orpelkus, Jannik Peters, Hasan Tercan, Tobias Meisen
Abstract: Learned construction heuristics for scheduling problems have become increasingly competitive with established solvers and heuristics in recent years. In particular, significant improvements have been observed in solution approaches using deep reinforcement learning (DRL). While much attention has been paid to the design of network architectures and training algorithms to achieve state-of-the-art results, little research has investigated the optimal use of trained DRL agents during inference. Our work is based on the hypothesis that, similar to search algorithms, the utilization of trained DRL agents should be dependent on the acceptable computational budget. We propose a simple yet effective parameterization, called $\delta$-sampling that manipulates the trained action vector to bias agent behavior towards exploration or exploitation during solution construction. By following this approach, we can achieve a more comprehensive coverage of the search space while still generating an acceptable number of solutions. In addition, we propose an algorithm for obtaining the optimal parameterization for such a given number of solutions and any given trained agent. Experiments extending existing training protocols for job shop scheduling problems with our inference method validate our hypothesis and result in the expected improvements of the generated solutions.
Authors: Yuzi Yan, Yibo Miao, Jialian Li, Yipin Zhang, Jian Xie, Zhijie Deng, Dong Yan
Abstract: Aligning large language models (LLMs) with human preference has recently gained tremendous attention, with the canonical yet costly RLHF-PPO and the simple and straightforward Direct Preference Optimization (DPO) as two examples. Despite the efficiency, DPO has rarely be used in the state-of-the-art production-level LLMs, implying its potential pathologies. In this work, we revisit DPO with a comprehensive examination of its empirical efficacy and a systematic comparison with RLHF-PPO. We identify the \textbf{3D}-properties of DPO's learning outcomes: the \textbf{D}rastic drop in the likelihood of rejected responses, the \textbf{D}egradation into LLM unlearning, and the \textbf{D}ispersion effect on unseen responses through experiments with both a carefully designed toy model and practical LLMs on tasks including mathematical problem-solving and instruction following. These findings inherently connect to some observations made by related works and we additionally contribute a plausible theoretical explanation for them. Accordingly, we propose easy regularization methods to mitigate the issues caused by \textbf{3D}-properties, improving the training stability and final performance of DPO. Our contributions also include an investigation into how the distribution of the paired preference data impacts the effectiveness of DPO. We hope this work could offer research directions to narrow the gap between reward-free preference learning methods and reward-based ones.
Authors: Juan Antonio Barragan, Jintan Zhang, Haoying Zhou, Adnan Munawar, Peter Kazanzides
Abstract: Automation in surgical robotics has the potential to improve patient safety and surgical efficiency, but it is difficult to achieve due to the need for robust perception algorithms. In particular, 6D pose estimation of surgical instruments is critical to enable the automatic execution of surgical maneuvers based on visual feedback. In recent years, supervised deep learning algorithms have shown increasingly better performance at 6D pose estimation tasks; yet, their success depends on the availability of large amounts of annotated data. In household and industrial settings, synthetic data, generated with 3D computer graphics software, has been shown as an alternative to minimize annotation costs of 6D pose datasets. However, this strategy does not translate well to surgical domains as commercial graphics software have limited tools to generate images depicting realistic instrument-tissue interactions. To address these limitations, we propose an improved simulation environment for surgical robotics that enables the automatic generation of large and diverse datasets for 6D pose estimation of surgical instruments. Among the improvements, we developed an automated data generation pipeline and an improved surgical scene. To show the applicability of our system, we generated a dataset of 7.5k images with pose annotations of a surgical needle that was used to evaluate a state-of-the-art pose estimation network. The trained model obtained a mean translational error of 2.59mm on a challenging dataset that presented varying levels of occlusion. These results highlight our pipeline's success in training and evaluating novel vision algorithms for surgical robotics applications.
Authors: Teun van der Weij, Felix Hofst\"atter, Ollie Jaffe, Samuel F. Brown, Francis Rhys Ward
Abstract: Trustworthy capability evaluations are crucial for ensuring the safety of AI systems, and are becoming a key component of AI regulation. However, the developers of an AI system, or the AI system itself, may have incentives for evaluations to understate the AI's actual capability. These conflicting interests lead to the problem of sandbagging $\unicode{x2013}$ which we define as "strategic underperformance on an evaluation". In this paper we assess sandbagging capabilities in contemporary language models (LMs). We prompt frontier LMs, like GPT-4 and Claude 3 Opus, to selectively underperform on dangerous capability evaluations, while maintaining performance on general (harmless) capability evaluations. Moreover, we find that models can be fine-tuned, on a synthetic dataset, to hide specific capabilities unless given a password. This behaviour generalizes to high-quality, held-out benchmarks such as WMDP. In addition, we show that both frontier and smaller models can be prompted, or password-locked, to target specific scores on a capability evaluation. Even more, we found that a capable password-locked model (Llama 3 70b) is reasonably able to emulate a less capable model (Llama 2 7b). Overall, our results suggest that capability evaluations are vulnerable to sandbagging. This vulnerability decreases the trustworthiness of evaluations, and thereby undermines important safety decisions regarding the development and deployment of advanced AI systems.
Authors: Rohit Jena, Pratik Chaudhari, James C. Gee
Abstract: Deep Learning in Image Registration (DLIR) methods have been tremendously successful in image registration due to their speed and ability to incorporate weak label supervision at training time. However, DLIR methods forego many of the benefits of classical optimization-based methods. The functional nature of deep networks do not guarantee that the predicted transformation is a local minima of the registration objective, the representation of the transformation (displacement/velocity field/affine) is fixed, and the networks are not robust to domain shift. Our method aims to bridge this gap between classical and learning methods by incorporating optimization as a layer in a deep network. A deep network is trained to predict multi-scale dense feature images that are registered using a black box iterative optimization solver. This optimal warp is then used to minimize image and label alignment errors. By implicitly differentiating end-to-end through an iterative optimization solver, our learned features are registration and label-aware, and the warp functions are guaranteed to be local minima of the registration objective in the feature space. Our framework shows excellent performance on in-domain datasets, and is agnostic to domain shift such as anisotropy and varying intensity profiles. For the first time, our method allows switching between arbitrary transformation representations (free-form to diffeomorphic) at test time with zero retraining. End-to-end feature learning also facilitates interpretability of features, and out-of-the-box promptability using additional label-fidelity terms at inference.
Authors: Haoran You (Celine), Yichao Fu (Celine), Zheng Wang (Celine), Amir Yazdanbakhsh (Celine), Yingyan (Celine), Lin
Abstract: Autoregressive Large Language Models (LLMs) have achieved impressive performance in language tasks but face two significant bottlenecks: (1) quadratic complexity in the attention module as the number of tokens increases, and (2) limited efficiency due to the sequential processing nature of autoregressive LLMs during generation. While linear attention and speculative decoding offer potential solutions, their applicability and synergistic potential for enhancing autoregressive LLMs remain uncertain. We conduct the first comprehensive study on the efficacy of existing linear attention methods for autoregressive LLMs, integrating them with speculative decoding. We introduce an augmentation technique for linear attention that ensures compatibility with speculative decoding, enabling more efficient training and serving of LLMs. Extensive experiments and ablation studies involving seven existing linear attention models and five encoder/decoder-based LLMs consistently validate the effectiveness of our augmented linearized LLMs. Notably, our approach achieves up to a 6.67 reduction in perplexity on the LLaMA model and up to a 2$\times$ speedup during generation compared to prior linear attention methods. Codes and models are available at https://github.com/GATECH-EIC/Linearized-LLM.
Authors: Arun Jambulapati, Aaron Sidford, Kevin Tian
Abstract: We develop a new parallel algorithm for minimizing Lipschitz, convex functions with a stochastic subgradient oracle. The total number of queries made and the query depth, i.e., the number of parallel rounds of queries, match the prior state-of-the-art, [CJJLLST23], while improving upon the computational depth by a polynomial factor for sufficiently small accuracy. When combined with previous state-of-the-art methods our result closes a gap between the best-known query depth and the best-known computational depth of parallel algorithms. Our method starts with a ball acceleration framework of previous parallel methods, i.e., [CJJJLST20, ACJJS21], which reduce the problem to minimizing a regularized Gaussian convolution of the function constrained to Euclidean balls. By developing and leveraging new stability properties of the Hessian of this induced function, we depart from prior parallel algorithms and reduce these ball-constrained optimization problems to stochastic unconstrained quadratic minimization problems. Although we are unable to prove concentration of the asymmetric matrices that we use to approximate this Hessian, we nevertheless develop an efficient parallel method for solving these quadratics. Interestingly, our algorithms can be improved using fast matrix multiplication and use nearly-linear work if the matrix multiplication exponent is 2.
Authors: Juan Antonio Barragan, Hisashi Ishida, Adnan Munawar, Peter Kazanzides
Abstract: The development of algorithms for automation of subtasks during robotic surgery can be accelerated by the availability of realistic simulation environments. In this work, we focus on one aspect of the realism of a surgical simulator, which is the positional accuracy of the robot. In current simulators, robots have perfect or near-perfect accuracy, which is not representative of their physical counterparts. We therefore propose a pair of neural networks, trained by data collected from a physical robot, to estimate both the controller error and the kinematic and non-kinematic error. These error estimates are then injected within the simulator to produce a simulated robot that has the characteristic performance of the physical robot. In this scenario, we believe it is sufficient for the estimated error used in the simulation to have a statistically similar distribution to the actual error of the physical robot. This is less stringent, and therefore more tenable, than the requirement for error compensation of a physical robot, where the estimated error should equal the actual error. Our results demonstrate that error injection reduces the mean position and orientation differences between the simulated and physical robots from 5.0 mm / 3.6 deg to 1.3 mm / 1.7 deg, respectively, which represents reductions by factors of 3.8 and 2.1.
Authors: Zeyuan Liu, Ziyu Huan, Xiyao Wang, Jiafei Lyu, Jian Tao, Xiu Li, Furong Huang, Huazhe Xu
Abstract: Reinforcement learning struggles in the face of long-horizon tasks and sparse goals due to the difficulty in manual reward specification. While existing methods address this by adding intrinsic rewards, they may fail to provide meaningful guidance in long-horizon decision-making tasks with large state and action spaces, lacking purposeful exploration. Inspired by human cognition, we propose a new multi-modal model-based RL approach named Dreaming with Large Language Models (DLLM). DLLM integrates the proposed hinting subgoals from the LLMs into the model rollouts to encourage goal discovery and reaching in challenging tasks. By assigning higher intrinsic rewards to samples that align with the hints outlined by the language model during model rollouts, DLLM guides the agent toward meaningful and efficient exploration. Extensive experiments demonstrate that the DLLM outperforms recent methods in various challenging, sparse-reward environments such as HomeGrid, Crafter, and Minecraft by 27.7\%, 21.1\%, and 9.9\%, respectively.
Authors: Nipuni Ginige, Arthur Sousa de Sena, Nurul Huda Mahmood, Nandana Rajatheva, Matti Latva-aho
Abstract: Reconfigurable intelligent surfaces (RISs) have emerged as a promising technology to enhance the performance of sixth-generation (6G) and beyond communication systems. The passive nature of RISs and their large number of reflecting elements pose challenges to the channel estimation process. The associated complexity further escalates when the channel coefficients are fast-varying as in scenarios with user mobility. In this paper, we propose an extended channel estimation framework for RIS-assisted multiple-input multiple-output (MIMO) systems based on a convolutional neural network (CNN) integrated with an autoregressive (AR) predictor. The implemented framework is designed for identifying the aging pattern and predicting enhanced estimates of the wireless channels in correlated fast-fading environments. Insightful simulation results demonstrate that our proposed CNN-AR approach is robust to channel aging, exhibiting a high-precision estimation accuracy. The results also show that our approach can achieve high spectral efficiency and low pilot overhead compared to traditional methods.
Authors: Bingyan Xie, Yongpeng Wu, Yuxuan Shi, Wenjun Zhang, Shuguang Cui, Merouane Debbah
Abstract: Though achieving marvelous progress in various scenarios, existing semantic communication frameworks mainly consider single-input single-output Gaussian channels or Rayleigh fading channels, neglecting the widely-used multiple-input multiple-output (MIMO) channels, which hinders the application into practical systems. One common solution to combat MIMO fading is to utilize feedback MIMO channel state information (CSI). In this paper, we incorporate MIMO CSI into system designs from a new perspective and propose the learnable CSI fusion semantic communication (LCFSC) framework, where CSI is treated as side information by the semantic extractor to enhance the semantic coding. To avoid feature fusion due to abrupt combination of CSI with features, we present a non-invasive CSI fusion multi-head attention module inside the Swin Transformer. With the learned attention masking map determined by both source and channel states, more robust attention distribution could be generated. Furthermore, the percentage of mask elements could be flexibly adjusted by the learnable mask ratio, which is produced based on the conditional variational interference in an unsupervised manner. In this way, CSI-aware semantic coding is achieved through learnable CSI fusion masking. Experiment results testify the superiority of LCFSC over traditional schemes and state-of-the-art Swin Transformer-based semantic communication frameworks in MIMO fading channels.
Authors: Huiwon Jang, Dongyoung Kim, Junsu Kim, Jinwoo Shin, Pieter Abbeel, Younggyo Seo
Abstract: Self-supervised learning of image representations by predicting future frames is a promising direction but still remains a challenge. This is because of the under-determined nature of frame prediction; multiple potential futures can arise from a single current frame. To tackle this challenge, in this paper, we revisit the idea of stochastic video generation that learns to capture uncertainty in frame prediction and explore its effectiveness for representation learning. Specifically, we design a framework that trains a stochastic frame prediction model to learn temporal information between frames. Moreover, to learn dense information within each frame, we introduce an auxiliary masked image modeling objective along with a shared decoder architecture. We find this architecture allows for combining both objectives in a synergistic and compute-efficient manner. We demonstrate the effectiveness of our framework on a variety of tasks from video label propagation and vision-based robot learning domains, such as video segmentation, pose tracking, vision-based robotic locomotion, and manipulation tasks. Code is available on the project webpage: https://sites.google.com/view/2024rsp.
Authors: HanQin Cai, Longxiu Huang, Xiliang Lu, Juntao You
Abstract: This paper studies the robust Hankel recovery problem, which simultaneously removes the sparse outliers and fulfills missing entries from the partial observation. We propose a novel non-convex algorithm, coined Hankel Structured Newton-Like Descent (HSNLD), to tackle the robust Hankel recovery problem. HSNLD is highly efficient with linear convergence, and its convergence rate is independent of the condition number of the underlying Hankel matrix. The recovery guarantee has been established under some mild conditions. Numerical experiments on both synthetic and real datasets show the superior performance of HSNLD against state-of-the-art algorithms.
Authors: Weiliang Zhang, Zhen Meng, Dongjie Wang, Min Wu, Kunpeng Liu, Yuanchun Zhou, Meng Xiao
Abstract: Recent advancements in single-cell genomics necessitate precision in gene panel selection to interpret complex biological data effectively. Those methods aim to streamline the analysis of scRNA-seq data by focusing on the most informative genes that contribute significantly to the specific analysis task. Traditional selection methods, which often rely on expert domain knowledge, embedded machine learning models, or heuristic-based iterative optimization, are prone to biases and inefficiencies that may obscure critical genomic signals. Recognizing the limitations of traditional methods, we aim to transcend these constraints with a refined strategy. In this study, we introduce an iterative gene panel selection strategy that is applicable to clustering tasks in single-cell genomics. Our method uniquely integrates results from other gene selection algorithms, providing valuable preliminary boundaries or prior knowledge as initial guides in the search space to enhance the efficiency of our framework. Furthermore, we incorporate the stochastic nature of the exploration process in reinforcement learning (RL) and its capability for continuous optimization through reward-based feedback. This combination mitigates the biases inherent in the initial boundaries and harnesses RL's adaptability to refine and target gene panel selection dynamically. To illustrate the effectiveness of our method, we conducted detailed comparative experiments, case studies, and visualization analysis.
Authors: Tonghan Wang, Yanchen Jiang, David C. Parkes
Abstract: Differentiable economics uses deep learning for automated mechanism design. Despite strong progress, it has remained an open problem to learn multi-bidder, general, and fully strategy-proof (SP) auctions. We introduce GEneral Menu-based NETwork (GemNet), which significantly extends the menu-based approach of RochetNet [D\"utting et al., 2023] to the multi-bidder setting. The challenge in achieving SP is to learn bidder-independent menus that are feasible, so that the optimal menu choices for each bidder do not over-allocate items when taken together (we call this menu compatibility). GemNet penalizes the failure of menu compatibility during training, and transforms learned menus after training through price changes, by considering a set of discretized bidder values and reasoning about Lipschitz smoothness to guarantee menu compatibility on the entire value space. This approach is general, leaving undisturbed trained menus that already satisfy menu compatibility and reducing to RochetNet for a single bidder. Mixed-integer linear programs are used for menu transforms and through a number of optimizations, including adaptive grids and methods to skip menu elements, we scale to large auction design problems. GemNet learns auctions with better revenue than affine maximization methods, achieves exact SP whereas previous general multi-bidder methods are approximately SP, and offers greatly enhanced interpretability.
Authors: Shashank Agnihotri, Julia Grabinski, Janis Keuper, Margret Keuper
Abstract: Image restoration networks are usually comprised of an encoder and a decoder, responsible for aggregating image content from noisy, distorted data and to restore clean, undistorted images, respectively. Data aggregation as well as high-resolution image generation both usually come at the risk of involving aliases, i.e.~standard architectures put their ability to reconstruct the model input in jeopardy to reach high PSNR values on validation data. The price to be paid is low model robustness. In this work, we show that simply providing alias-free paths in state-of-the-art reconstruction transformers supports improved model robustness at low costs on the restoration performance. We do so by proposing BOA-Restormer, a transformer-based image restoration model that executes downsampling and upsampling operations partly in the frequency domain to ensure alias-free paths along the entire model while potentially preserving all relevant high-frequency information.
Authors: Shuvendu Roy, Yasaman Parhizkar, Franklin Ogidi, Vahid Reza Khazaie, Michael Colacci, Ali Etemad, Elham Dolatabadi, Arash Afkanpour
Abstract: We perform a comprehensive benchmarking of contrastive frameworks for learning multimodal representations in the medical domain. Through this study, we aim to answer the following research questions: (i) How transferable are general-domain representations to the medical domain? (ii) Is multimodal contrastive training sufficient, or does it benefit from unimodal training as well? (iii) What is the impact of feature granularity on the effectiveness of multimodal medical representation learning? To answer these questions, we investigate eight contrastive learning approaches under identical training setups, and train them on 2.8 million image-text pairs from four datasets, and evaluate them on 25 downstream tasks, including classification (zero-shot and linear probing), image-to-text and text-to-image retrieval, and visual question-answering. Our findings suggest a positive answer to the first question, a negative answer to the second question, and the benefit of learning fine-grained features. Finally, we make our code publicly available.
Authors: John Murzaku, Adil Soubki, Owen Rambow
Abstract: Recognizing a speaker's level of commitment to a belief is a difficult task; humans do not only interpret the meaning of the words in context, but also understand cues from intonation and other aspects of the audio signal. Many papers and corpora in the NLP community have approached the belief prediction task using text-only approaches. We are the first to frame and present results on the multimodal belief prediction task. We use the CB-Prosody corpus (CBP), containing aligned text and audio with speaker belief annotations. We first report baselines and significant features using acoustic-prosodic features and traditional machine learning methods. We then present text and audio baselines for the CBP corpus fine-tuning on BERT and Whisper respectively. Finally, we present our multimodal architecture which fine-tunes on BERT and Whisper and uses multiple fusion methods, improving on both modalities alone.
Authors: Sven L\"ammle, Can Bogoclu, Robert Vo{\ss}hall, Anselm Haselhoff, Dirk Roos
Abstract: Real-world applications of machine learning models are often subject to legal or policy-based regulations. Some of these regulations require ensuring the validity of the model, i.e., the approximation error being smaller than a threshold. A global metric is generally too insensitive to determine the validity of a specific prediction, whereas evaluating local validity is costly since it requires gathering additional data.We propose learning the model error to acquire a local validity estimate while reducing the amount of required data through active learning. Using model validation benchmarks, we provide empirical evidence that the proposed method can lead to an error model with sufficient discriminative properties using a relatively small amount of data. Furthermore, an increased sensitivity to local changes of the validity bounds compared to alternative approaches is demonstrated.
Authors: Biplov Bhandari, Timothy Mayer
Abstract: The Bhutanese government is increasing its utilization of technological approaches such as including Remote Sensing-based knowledge in their decision-making process. This study focuses on crop type and crop extent in Paro, one of the top rice-yielding districts in Bhutan, and employs publicly available NICFI high-resolution satellite imagery from Planet. Two Deep Learning (DL) approaches, point-based (DNN) and patch-based (U-Net), models were used in conjunction with cloud-computing platforms. Three different models per DL approaches (DNN and U-Net) were trained: 1) RGBN channels from Planet; 2) RGBN and elevation data (RGBNE); 3) RGBN and Sentinel-1 (S1) data (RGBNS), and RGBN with E and S1 data (RGBNES). From this comprehensive analysis, the U-Net displayed higher performance metrics across both model training and model validation efforts. Among the U-Net model sets, the RGBN, RGBNE, RGBNS, and RGBNES models had an F1-score of 0.8546, 0.8563, 0.8467, and 0.8500 respectively. An independent model evaluation was performed and found a high level of performance variation across all the metrics. For this independent model evaluation, the U-Net RGBN, RGBNE, RGBNES, and RGBN models displayed the F1-scores of 0.5935, 0.6154, 0.5882, and 0.6582, suggesting U-Net RGBNES as the best model. The study shows that the DL approaches can predict rice. Also, DL methods can be used with the survey-based approaches currently utilized by the Bhutan Department of Agriculture. Further, this study demonstrated the usage of regional land cover products such as SERVIR's RLCMS as a weak label approach to capture different strata addressing the class imbalance problem and improving the sampling design for DL application. Finally, through preliminary model testing and comparisons outlined it was shown that using additional features such as NDVI, EVI, and NDWI did not drastically improve model performance.
Authors: Mert Yuksekgonul, Federico Bianchi, Joseph Boen, Sheng Liu, Zhi Huang, Carlos Guestrin, James Zou
Abstract: AI is undergoing a paradigm shift, with breakthroughs achieved by systems orchestrating multiple large language models (LLMs) and other complex components. As a result, developing principled and automated optimization methods for compound AI systems is one of the most important new challenges. Neural networks faced a similar challenge in its early days until backpropagation and automatic differentiation transformed the field by making optimization turn-key. Inspired by this, we introduce TextGrad, a powerful framework performing automatic ``differentiation'' via text. TextGrad backpropagates textual feedback provided by LLMs to improve individual components of a compound AI system. In our framework, LLMs provide rich, general, natural language suggestions to optimize variables in computation graphs, ranging from code snippets to molecular structures. TextGrad follows PyTorch's syntax and abstraction and is flexible and easy-to-use. It works out-of-the-box for a variety of tasks, where the users only provide the objective function without tuning components or prompts of the framework. We showcase TextGrad's effectiveness and generality across a diverse range of applications, from question answering and molecule optimization to radiotherapy treatment planning. Without modifying the framework, TextGrad improves the zero-shot accuracy of GPT-4o in Google-Proof Question Answering from $51\%$ to $55\%$, yields $20\%$ relative performance gain in optimizing LeetCode-Hard coding problem solutions, improves prompts for reasoning, designs new druglike small molecules with desirable in silico binding, and designs radiation oncology treatment plans with high specificity. TextGrad lays a foundation to accelerate the development of the next-generation of AI systems.
Authors: Brandon Trabucco, Max Gurinas, Kyle Doherty, Ruslan Salakhutdinov
Abstract: Large multimodal models such as Stable Diffusion can generate, detect, and classify new visual concepts after fine-tuning just a single word embedding. Do models learn similar words for the same concepts (i.e.
Authors: Reuben R. W. Wang, Daniel Messenger
Abstract: We study the relaxation of a highly collisional, ultracold but nondegenerate gas of polar molecules. Confined within a harmonic trap, the gas is subject to fluid-gaseous coupled dynamics that lead to a breakdown of first-order hydrodynamics. An attempt to treat these higher-order hydrodynamic effects was previously made with a Gaussian ansatz and coarse-graining model parameter [R. R. W. Wang & J. L. Bohn, Phys. Rev. A 108, 013322 (2023)], leading to an approximate set of equations for a few collective observables accessible to experiments. Here we present substantially improved reduced-order models for these same observables, admissible beyond previous parameter regimes, discovered directly from particle simulations using the WSINDy algorithm (Weak-form Sparse Identification of Nonlinear Dynamics). The interpretable nature of the learning algorithm enables estimation of previously unknown physical quantities and discovery of model terms with candidate physical mechanisms, revealing new physics in mixed collisional regimes. Our approach constitutes a general framework for data-driven model identification leveraging known physics.
Authors: Yujia Jin, Ishani Karmarkar, Christopher Musco, Aaron Sidford, Apoorv Vikram Singh
Abstract: We consider the problem of estimating the spectral density of the normalized adjacency matrix of an $n$-node undirected graph. We provide a randomized algorithm that, with $O(n\epsilon^{-2})$ queries to a degree and neighbor oracle and in $O(n\epsilon^{-3})$ time, estimates the spectrum up to $\epsilon$ accuracy in the Wasserstein-1 metric. This improves on previous state-of-the-art methods, including an $O(n\epsilon^{-7})$ time algorithm from [Braverman et al., STOC 2022] and, for sufficiently small $\epsilon$, a $2^{O(\epsilon^{-1})}$ time method from [Cohen-Steiner et al., KDD 2018]. To achieve this result, we introduce a new notion of graph sparsification, which we call nuclear sparsification. We provide an $O(n\epsilon^{-2})$-query and $O(n\epsilon^{-2})$-time algorithm for computing $O(n\epsilon^{-2})$-sparse nuclear sparsifiers. We show that this bound is optimal in both its sparsity and query complexity, and we separate our results from the related notion of additive spectral sparsification. Of independent interest, we show that our sparsification method also yields the first deterministic algorithm for spectral density estimation that scales linearly with $n$ (sublinear in the representation size of the graph).
Authors: Liliang Ren, Yang Liu, Yadong Lu, Yelong Shen, Chen Liang, Weizhu Chen
Abstract: Efficiently modeling sequences with infinite context length has been a long-standing problem. Past works suffer from either the quadratic computation complexity or the limited extrapolation ability on length generalization. In this work, we present Samba, a simple hybrid architecture that layer-wise combines Mamba, a selective State Space Model (SSM), with Sliding Window Attention (SWA). Samba selectively compresses a given sequence into recurrent hidden states while still maintaining the ability to precisely recall memories with the attention mechanism. We scale Samba up to 3.8B parameters with 3.2T training tokens and show that Samba substantially outperforms the state-of-the-art models based on pure attention or SSMs on a wide range of benchmarks. When trained on 4K length sequences, Samba can be efficiently extrapolated to 256K context length with perfect memory recall and show improved token predictions up to 1M context length. As a linear-time sequence model, Samba enjoys a 3.73x higher throughput compared to Transformers with grouped-query attention when processing user prompts of 128K length, and 3.64x speedup when generating 64K tokens with unlimited streaming. A sample implementation of Samba is publicly available in https://github.com/microsoft/Samba.
Authors: Subham Sekhar Sahoo, Marianne Arriola, Yair Schiff, Aaron Gokaslan, Edgar Marroquin, Justin T Chiu, Alexander Rush, Volodymyr Kuleshov
Abstract: While diffusion models excel at generating high-quality images, prior work reports a significant performance gap between diffusion and autoregressive (AR) methods in language modeling. In this work, we show that simple masked discrete diffusion is more performant than previously thought. We apply an effective training recipe that improves the performance of masked diffusion models and derive a simplified, Rao-Blackwellized objective that results in additional improvements. Our objective has a simple form -- it is a mixture of classical masked language modeling losses -- and can be used to train encoder-only language models that admit efficient samplers, including ones that can generate arbitrary lengths of text semi-autoregressively like a traditional language model. On language modeling benchmarks, a range of masked diffusion models trained with modern engineering practices achieves a new state-of-the-art among diffusion models, and approaches AR perplexity. We release our code at: https://github.com/kuleshov-group/mdlm
Authors: Mason Wang, Ryosuke Sawata, Samuel Clarke, Ruohan Gao, Shangzhe Wu, Jiajun Wu
Abstract: Recent years have seen immense progress in 3D computer vision and computer graphics, with emerging tools that can virtualize real-world 3D environments for numerous Mixed Reality (XR) applications. However, alongside immersive visual experiences, immersive auditory experiences are equally vital to our holistic perception of an environment. In this paper, we aim to reconstruct the spatial acoustic characteristics of an arbitrary environment given only a sparse set of (roughly 12) room impulse response (RIR) recordings and a planar reconstruction of the scene, a setup that is easily achievable by ordinary users. To this end, we introduce DiffRIR, a differentiable RIR rendering framework with interpretable parametric models of salient acoustic features of the scene, including sound source directivity and surface reflectivity. This allows us to synthesize novel auditory experiences through the space with any source audio. To evaluate our method, we collect a dataset of RIR recordings and music in four diverse, real environments. We show that our model outperforms state-ofthe-art baselines on rendering monaural and binaural RIRs and music at unseen locations, and learns physically interpretable parameters characterizing acoustic properties of the sound source and surfaces in the scene.
Authors: Kuan Heng Lin, Sicheng Mo, Ben Klingher, Fangzhou Mu, Bolei Zhou
Abstract: Recent controllable generation approaches such as FreeControl and Diffusion Self-guidance bring fine-grained spatial and appearance control to text-to-image (T2I) diffusion models without training auxiliary modules. However, these methods optimize the latent embedding for each type of score function with longer diffusion steps, making the generation process time-consuming and limiting their flexibility and use. This work presents Ctrl-X, a simple framework for T2I diffusion controlling structure and appearance without additional training or guidance. Ctrl-X designs feed-forward structure control to enable the structure alignment with a structure image and semantic-aware appearance transfer to facilitate the appearance transfer from a user-input image. Extensive qualitative and quantitative experiments illustrate the superior performance of Ctrl-X on various condition inputs and model checkpoints. In particular, Ctrl-X supports novel structure and appearance control with arbitrary condition images of any modality, exhibits superior image quality and appearance transfer compared to existing works, and provides instant plug-and-play functionality to any T2I and text-to-video (T2V) diffusion model. See our project page for an overview of the results: https://genforce.github.io/ctrl-x
Authors: Yunze Man, Liang-Yan Gui, Yu-Xiong Wang
Abstract: Being able to carry out complicated vision language reasoning tasks in 3D space represents a significant milestone in developing household robots and human-centered embodied AI. In this work, we demonstrate that a critical and distinct challenge in 3D vision language reasoning is situational awareness, which incorporates two key components: (1) The autonomous agent grounds its self-location based on a language prompt. (2) The agent answers open-ended questions from the perspective of its calculated position. To address this challenge, we introduce SIG3D, an end-to-end Situation-Grounded model for 3D vision language reasoning. We tokenize the 3D scene into sparse voxel representation and propose a language-grounded situation estimator, followed by a situated question answering module. Experiments on the SQA3D and ScanQA datasets show that SIG3D outperforms state-of-the-art models in situation estimation and question answering by a large margin (e.g., an enhancement of over 30% on situation estimation accuracy). Subsequent analysis corroborates our architectural design choices, explores the distinct functions of visual and textual tokens, and highlights the importance of situational awareness in the domain of 3D question answering.
Authors: Yue Zhao, Yuanjun Xiong, Philipp Kr\"ahenb\"uhl
Abstract: We propose a new transformer-based image and video tokenizer with Binary Spherical Quantization (BSQ). BSQ projects the high-dimensional visual embedding to a lower-dimensional hypersphere and then applies binary quantization. BSQ is (1) parameter-efficient without an explicit codebook, (2) scalable to arbitrary token dimensions, and (3) compact: compressing visual data by up to 100$\times$ with minimal distortion. Our tokenizer uses a transformer encoder and decoder with simple block-wise causal masking to support variable-length videos as input. The resulting BSQ-ViT achieves state-of-the-art visual reconstruction quality on image and video reconstruction benchmarks with 2.4$\times$ throughput compared to the best prior methods. Furthermore, by learning an autoregressive prior for adaptive arithmetic coding, BSQ-ViT achieves comparable results on video compression with state-of-the-art video compression standards. BSQ-ViT also enables masked language models to achieve competitive image synthesis quality to GAN- and diffusion-based methods.
Authors: Catarina Moreira, Yu-Liang Chou, Chihcheng Hsieh, Chun Ouyang, Joaquim Jorge, Jo\~ao Madeiras Pereira
Abstract: This study investigates the impact of machine learning models on the generation of counterfactual explanations by conducting a benchmark evaluation over three different types of models: a decision tree (fully transparent, interpretable, white-box model), a random forest (semi-interpretable, grey-box model), and a neural network (fully opaque, black-box model). We tested the counterfactual generation process using four algorithms (DiCE, WatcherCF, prototype, and GrowingSpheresCF) in the literature in 25 different datasets. Our findings indicate that: (1) Different machine learning models have little impact on the generation of counterfactual explanations; (2) Counterfactual algorithms based uniquely on proximity loss functions are not actionable and will not provide meaningful explanations; (3) One cannot have meaningful evaluation results without guaranteeing plausibility in the counterfactual generation. Algorithms that do not consider plausibility in their internal mechanisms will lead to biased and unreliable conclusions if evaluated with the current state-of-the-art metrics; (4) A counterfactual inspection analysis is strongly recommended to ensure a robust examination of counterfactual explanations and the potential identification of biases.
Authors: Yves Rychener, Bahar Taskesen, Daniel Kuhn
Abstract: We study supervised learning problems that have significant effects on individuals from two demographic groups, and we seek predictors that are fair with respect to a group fairness criterion such as statistical parity (SP). A predictor is SP-fair if the distributions of predictions within the two groups are close in Kolmogorov distance, and fairness is achieved by penalizing the dissimilarity of these two distributions in the objective function of the learning problem. In this paper, we identify conditions under which hard SP constraints are guaranteed to improve predictive accuracy. We also showcase conceptual and computational benefits of measuring unfairness with integral probability metrics (IPMs) other than the Kolmogorov distance. Conceptually, we show that the generator of any IPM can be interpreted as a family of utility functions and that unfairness with respect to this IPM arises if individuals in the two demographic groups have diverging expected utilities. We also prove that the unfairness-regularized prediction loss admits unbiased gradient estimators, which are constructed from random mini-batches of training samples, if unfairness is measured by the squared $\mathcal L^2$-distance or by a squared maximum mean discrepancy. In this case, the fair learning problem is susceptible to efficient stochastic gradient descent (SGD) algorithms. Numerical experiments on synthetic and real data show that these SGD algorithms outperform state-of-the-art methods for fair learning in that they achieve superior accuracy-unfairness trade-offs -- sometimes orders of magnitude faster.
Authors: Mario Alfonso Prado-Romero, Bardh Prenkaj, Giovanni Stilo, Fosca Giannotti
Abstract: Graph Neural Networks (GNNs) perform well in community detection and molecule classification. Counterfactual Explanations (CE) provide counter-examples to overcome the transparency limitations of black-box models. Due to the growing attention in graph learning, we focus on the concepts of CE for GNNs. We analysed the SoA to provide a taxonomy, a uniform notation, and the benchmarking datasets and evaluation metrics. We discuss fourteen methods, their evaluation protocols, twenty-two datasets, and nineteen metrics. We integrated the majority of methods into the GRETEL library to conduct an empirical evaluation to understand their strengths and pitfalls. We highlight open challenges and future work.
Authors: Harsh Shrivastava, Urszula Chajewska
Abstract: Conditional Independence (CI) graphs are a type of probabilistic graphical models that are primarily used to gain insights about feature relationships. Each edge represents the partial correlation between the connected features which gives information about their direct dependence. In this survey, we list out different methods and study the advances in techniques developed to recover CI graphs. We cover traditional optimization methods as well as recently developed deep learning architectures along with their recommended implementations. To facilitate wider adoption, we include preliminaries that consolidate associated operations, for example techniques to obtain covariance matrix for mixed datatypes.
Authors: Ehsan Imani, Guojun Zhang, Runjia Li, Jun Luo, Pascal Poupart, Philip H. S. Torr, Yangchen Pan
Abstract: Recent work has highlighted the label alignment property (LAP) in supervised learning, where the vector of all labels in the dataset is mostly in the span of the top few singular vectors of the data matrix. Drawing inspiration from this observation, we propose a regularization method for unsupervised domain adaptation that encourages alignment between the predictions in the target domain and its top singular vectors. Unlike conventional domain adaptation approaches that focus on regularizing representations, we instead regularize the classifier to align with the unsupervised target data, guided by the LAP in both the source and target domains. Theoretical analysis demonstrates that, under certain assumptions, our solution resides within the span of the top right singular vectors of the target domain data and aligns with the optimal solution. By removing the reliance on the commonly used optimal joint risk assumption found in classic domain adaptation theory, we showcase the effectiveness of our method on addressing problems where traditional domain adaptation methods often fall short due to high joint error. Additionally, we report improved performance over domain adaptation baselines in well-known tasks such as MNIST-USPS domain adaptation and cross-lingual sentiment analysis.
Authors: Hongchang Gao
Abstract: Minimax optimization problems have attracted significant attention in recent years due to their widespread application in numerous machine learning models. To solve the minimax problem, a wide variety of stochastic optimization methods have been proposed. However, most of them ignore the distributed setting where the training data is distributed on multiple workers. In this paper, we developed a novel decentralized stochastic gradient descent ascent method for the finite-sum minimax problem. In particular, by employing the variance-reduced gradient, our method can achieve $O(\frac{\sqrt{n}\kappa^3}{(1-\lambda)^2\epsilon^2})$ sample complexity and $O(\frac{\kappa^3}{(1-\lambda)^2\epsilon^2})$ communication complexity for the nonconvex-strongly-concave minimax problem. As far as we know, our work is the first one to achieve such theoretical complexities for this kind of minimax problem. At last, we apply our method to AUC maximization, and the experimental results confirm the effectiveness of our method.
Authors: Adrian Arnaiz-Rodriguez, Nuria Oliver
Abstract: Algorithmic fairness is of utmost societal importance, yet state-of-the-art large-scale machine learning models require training with massive datasets that are frequently biased. In this context, pre-processing methods that focus on modeling and correcting bias in the data emerge as valuable approaches. In this paper, we propose FairShap, a novel instance-level data re-weighting method for fair algorithmic decision-making through data valuation by means of Shapley Values. FairShap is model-agnostic and easily interpretable. It measures the contribution of each training data point to a predefined fairness metric. We empirically validate FairShap on several state-of-the-art datasets of different nature, with a variety of training scenarios and machine learning models and show how it yields fairer models with similar levels of accuracy than the baselines. We illustrate FairShap's interpretability by means of histograms and latent space visualizations. Moreover, we perform a utility-fairness study and analyze FairShap's computational cost depending on the size of the dataset and the number of features. We believe that FairShap represents a novel contribution in interpretable and model-agnostic approaches to algorithmic fairness that yields competitive accuracy even when only biased training datasets are available.
Authors: Wenhan Yang, Baharan Mirzasoleiman
Abstract: Graph contrastive learning (CL) methods learn node representations in a self-supervised manner by maximizing the similarity between the augmented node representations obtained via a GNN-based encoder. However, CL methods perform poorly on graphs with heterophily, where connected nodes tend to belong to different classes. In this work, we address this problem by proposing an effective graph CL method, namely HLCL, for learning graph representations under heterophily. HLCL first identifies a homophilic and a heterophilic subgraph based on the cosine similarity of node features. It then uses a low-pass and a high-pass graph filter to aggregate representations of nodes connected in the homophilic subgraph and differentiate representations of nodes in the heterophilic subgraph. The final node representations are learned by contrasting both the augmented high-pass filtered views and the augmented low-pass filtered node views. Our extensive experiments show that HLCL outperforms state-of-the-art graph CL methods on benchmark datasets with heterophily, as well as large-scale real-world graphs, by up to 7%, and outperforms graph supervised learning methods on datasets with heterophily by up to 10%.
Authors: Antoine Gonon (OCKHAM, ARIC), L\'eon Zheng (OCKHAM), Cl\'ement Lalanne (OCKHAM), Quoc-Tung Le (OCKHAM), Guillaume Lauga (OCKHAM), Can Pouliquen (OCKHAM)
Abstract: This article measures how sparsity can make neural networks more robust to membership inference attacks. The obtained empirical results show that sparsity improves the privacy of the network, while preserving comparable performances on the task at hand. This empirical study completes and extends existing literature.
Authors: Ehsan Saleh, Saba Ghaffari, Timothy Bretl, Luke Olson, Matthew West
Abstract: This work proposes a solution for the problem of training physics-informed networks under partial integro-differential equations. These equations require an infinite or a large number of neural evaluations to construct a single residual for training. As a result, accurate evaluation may be impractical, and we show that naive approximations at replacing these integrals with unbiased estimates lead to biased loss functions and solutions. To overcome this bias, we investigate three types of potential solutions: the deterministic sampling approaches, the double-sampling trick, and the delayed target method. We consider three classes of PDEs for benchmarking; one defining Poisson problems with singular charges and weak solutions of up to 10 dimensions, another involving weak solutions on electro-magnetic fields and a Maxwell equation, and a third one defining a Smoluchowski coagulation problem. Our numerical results confirm the existence of the aforementioned bias in practice and also show that our proposed delayed target approach can lead to accurate solutions with comparable quality to ones estimated with a large sample size integral. Our implementation is open-source and available at https://github.com/ehsansaleh/btspinn.
Authors: Ashwin Ram
Abstract: This paper represents a groundbreaking advancement in Parkinson disease (PD) research by employing a novel machine learning framework to categorize PD into distinct subtypes and predict its progression. Utilizing a comprehensive dataset encompassing both clinical and neurological parameters, the research applies advanced supervised and unsupervised learning techniques. This innovative approach enables the identification of subtle, yet critical, patterns in PD manifestation, which traditional methodologies often miss. Significantly, this research offers a path toward personalized treatment strategies, marking a major stride in the precision medicine domain and showcasing the transformative potential of integrating machine learning into medical research.
Authors: Haoran You (Celine), Huihong Shi (Celine), Yipin Guo (Celine), Yingyan (Celine), Lin
Abstract: Vision Transformers (ViTs) have shown impressive performance and have become a unified backbone for multiple vision tasks. However, both the attention mechanism and multi-layer perceptrons (MLPs) in ViTs are not sufficiently efficient due to dense multiplications, leading to costly training and inference. To this end, we propose to reparameterize pre-trained ViTs with a mixture of multiplication primitives, e.g., bitwise shifts and additions, towards a new type of multiplication-reduced model, dubbed $\textbf{ShiftAddViT}$, which aims to achieve end-to-end inference speedups on GPUs without requiring training from scratch. Specifically, all $\texttt{MatMuls}$ among queries, keys, and values are reparameterized using additive kernels, after mapping queries and keys to binary codes in Hamming space. The remaining MLPs or linear layers are then reparameterized with shift kernels. We utilize TVM to implement and optimize those customized kernels for practical hardware deployment on GPUs. We find that such a reparameterization on attention maintains model accuracy, while inevitably leading to accuracy drops when being applied to MLPs. To marry the best of both worlds, we further propose a new mixture of experts (MoE) framework to reparameterize MLPs by taking multiplication or its primitives as experts, e.g., multiplication and shift, and designing a new latency-aware load-balancing loss. Such a loss helps to train a generic router for assigning a dynamic amount of input tokens to different experts according to their latency. Extensive experiments on various 2D/3D Transformer-based vision tasks consistently validate the effectiveness of our proposed ShiftAddViT, achieving up to $\textbf{5.18$\times$}$ latency reductions on GPUs and $\textbf{42.9}$% energy savings, while maintaining a comparable accuracy as original or efficient ViTs.
Authors: Xiaotian Han, Jianfeng Chi, Yu Chen, Qifan Wang, Han Zhao, Na Zou, Xia Hu
Abstract: This paper introduces the Fair Fairness Benchmark (\textsf{FFB}), a benchmarking framework for in-processing group fairness methods. Ensuring fairness in machine learning is important for ethical compliance. However, there exist challenges in comparing and developing fairness methods due to inconsistencies in experimental settings, lack of accessible algorithmic implementations, and limited extensibility of current fairness packages and tools. To address these issues, we introduce an open-source standardized benchmark for evaluating in-processing group fairness methods and provide a comprehensive analysis of state-of-the-art methods to ensure different notions of group fairness. This work offers the following key contributions: the provision of flexible, extensible, minimalistic, and research-oriented open-source code; the establishment of unified fairness method benchmarking pipelines; and extensive benchmarking, which yields key insights from $\mathbf{45,079}$ experiments, $\mathbf{14,428}$ GPU hours. We believe that our work will significantly facilitate the growth and development of the fairness research community.
Authors: Semih Cant\"urk, Renming Liu, Olivier Lapointe-Gagn\'e, Vincent L\'etourneau, Guy Wolf, Dominique Beaini, Ladislav Ramp\'a\v{s}ek
Abstract: Positional and structural encodings (PSE) enable better identifiability of nodes within a graph, rendering them essential tools for empowering modern GNNs, and in particular graph Transformers. However, designing PSEs that work optimally for all graph prediction tasks is a challenging and unsolved problem. Here, we present the Graph Positional and Structural Encoder (GPSE), the first-ever graph encoder designed to capture rich PSE representations for augmenting any GNN. GPSE learns an efficient common latent representation for multiple PSEs, and is highly transferable: The encoder trained on a particular graph dataset can be used effectively on datasets drawn from markedly different distributions and modalities. We show that across a wide range of benchmarks, GPSE-enhanced models can significantly outperform those that employ explicitly computed PSEs, and at least match their performance in others. Our results pave the way for the development of foundational pre-trained graph encoders for extracting positional and structural information, and highlight their potential as a more powerful and efficient alternative to explicitly computed PSEs and existing self-supervised pre-training approaches. Our framework and pre-trained models are publicly available at https://github.com/G-Taxonomy-Workgroup/GPSE. For convenience, GPSE has also been integrated into the PyG library to facilitate downstream applications.
Authors: Young D. Kwon, Rui Li, Stylianos I. Venieris, Jagmohan Chauhan, Nicholas D. Lane, Cecilia Mascolo
Abstract: On-device training is essential for user personalisation and privacy. With the pervasiveness of IoT devices and microcontroller units (MCUs), this task becomes more challenging due to the constrained memory and compute resources, and the limited availability of labelled user data. Nonetheless, prior works neglect the data scarcity issue, require excessively long training time (e.g. a few hours), or induce substantial accuracy loss (>10%). In this paper, we propose TinyTrain, an on-device training approach that drastically reduces training time by selectively updating parts of the model and explicitly coping with data scarcity. TinyTrain introduces a task-adaptive sparse-update method that dynamically selects the layer/channel to update based on a multi-objective criterion that jointly captures user data, the memory, and the compute capabilities of the target device, leading to high accuracy on unseen tasks with reduced computation and memory footprint. TinyTrain outperforms vanilla fine-tuning of the entire network by 3.6-5.0% in accuracy, while reducing the backward-pass memory and computation cost by up to 1,098x and 7.68x, respectively. Targeting broadly used real-world edge devices, TinyTrain achieves 9.5x faster and 3.5x more energy-efficient training over status-quo approaches, and 2.23x smaller memory footprint than SOTA methods, while remaining within the 1 MB memory envelope of MCU-grade platforms.
Authors: Stefan Schoepf, Stephen Mak, Julian Senoner, Liming Xu, Netland Torbj\"orn, Alexandra Brintrup
Abstract: Heavy goods vehicles are vital backbones of the supply chain delivery system but also contribute significantly to carbon emissions with only 60% loading efficiency in the United Kingdom. Collaborative vehicle routing has been proposed as a solution to increase efficiency, but challenges remain to make this a possibility. One key challenge is the efficient computation of viable solutions for co-loading and routing. Current operations research methods suffer from non-linear scaling with increasing problem size and are therefore bound to limited geographic areas to compute results in time for day-to-day operations. This only allows for local optima in routing and leaves global optimisation potential untouched. We develop a reinforcement learning model to solve the three-dimensional loading capacitated vehicle routing problem in approximately linear time. While this problem has been studied extensively in operations research, no publications on solving it with reinforcement learning exist. We demonstrate the favourable scaling of our reinforcement learning model and benchmark our routing performance against state-of-the-art methods. The model performs within an average gap of 3.83% to 8.10% compared to established methods. Our model not only represents a promising first step towards large-scale logistics optimisation with reinforcement learning but also lays the foundation for this research stream. GitHub: https://github.com/if-loops/3L-CVRP
Authors: Hao Lin, Ke Wu, Jie Li, Jun Li, Wu-Jun Li
Abstract: Distributed learning is commonly used for training deep learning models, especially large models. In distributed learning, manual parallelism (MP) methods demand considerable human effort and have limited flexibility. Hence, automatic parallelism (AP) methods have recently been proposed for automating the parallel strategy optimization process. Existing AP methods suffer from sub-optimal solutions because they do not jointly optimize the two categories of parallel strategies (i.e., inter-layer parallelism and intra-layer parallelism). In this paper, we propose a novel AP method called UniAP, which unifies inter- and intra-layer automatic parallelism by mixed integer quadratic programming. To the best of our knowledge, UniAP is the first parallel method that can jointly optimize the two categories of parallel strategies to find an optimal solution. Experimental results show that UniAP outperforms state-of-the-art methods by up to 3.80$\times$ in throughput and reduces strategy optimization time by up to 107$\times$ across five Transformer-based models.
Authors: Yuanguo Lin, Hong Chen, Wei Xia, Fan Lin, Zongyue Wang, Yong Liu
Abstract: Educational Data Mining (EDM) has emerged as a vital field of research, which harnesses the power of computational techniques to analyze educational data. With the increasing complexity and diversity of educational data, Deep Learning techniques have shown significant advantages in addressing the challenges associated with analyzing and modeling this data. This survey aims to systematically review the state-of-the-art in EDM with Deep Learning. We begin by providing a brief introduction to EDM and Deep Learning, highlighting their relevance in the context of modern education. Next, we present a detailed review of Deep Learning techniques applied in four typical educational scenarios, including knowledge tracing, student behavior detection, performance prediction, and personalized recommendation. Furthermore, a comprehensive overview of public datasets and processing tools for EDM is provided. We then analyze the practical challenges in EDM and propose targeted solutions. Finally, we point out emerging trends and future directions in this research area.
Authors: Sadi Alawadi, Addi Ait-Mlouk, Salman Toor, Andreas Hellander
Abstract: Federated learning (FL) enables edge nodes to collaboratively contribute to constructing a global model without sharing their data. This is accomplished by devices computing local, private model updates that are then aggregated by a server. However, computational resource constraints and network communication can become a severe bottleneck for larger model sizes typical for deep learning applications. Edge nodes tend to have limited hardware resources (RAM, CPU), and the network bandwidth and reliability at the edge is a concern for scaling federated fleet applications. In this paper, we propose and evaluate a FL strategy inspired by transfer learning in order to reduce resource utilization on devices, as well as the load on the server and network in each global training round. For each local model update, we randomly select layers to train, freezing the remaining part of the model. In doing so, we can reduce both server load and communication costs per round by excluding all untrained layer weights from being transferred to the server. The goal of this study is to empirically explore the potential trade-off between resource utilization on devices and global model convergence under the proposed strategy. We implement the approach using the federated learning framework FEDn. A number of experiments were carried out over different datasets (CIFAR-10, CASA, and IMDB), performing different tasks using different deep-learning model architectures. Our results show that training the model partially can accelerate the training process, efficiently utilizes resources on-device, and reduce the data transmission by around 75% and 53% when we train 25%, and 50% of the model layers, respectively, without harming the resulting global model accuracy.
Authors: Marco Pleines, Matthias Pallasch, Frank Zimmer, Mike Preuss
Abstract: Memory Gym presents a suite of 2D partially observable environments, namely Mortar Mayhem, Mystery Path, and Searing Spotlights, designed to benchmark memory capabilities in decision-making agents. These environments, originally with finite tasks, are expanded into innovative, endless formats, mirroring the escalating challenges of cumulative memory games such as ``I packed my bag''. This progression in task design shifts the focus from merely assessing sample efficiency to also probing the levels of memory effectiveness in dynamic, prolonged scenarios. To address the gap in available memory-based Deep Reinforcement Learning baselines, we introduce an implementation that integrates Transformer-XL (TrXL) with Proximal Policy Optimization. This approach utilizes TrXL as a form of episodic memory, employing a sliding window technique. Our comparative study between the Gated Recurrent Unit (GRU) and TrXL reveals varied performances across different settings. TrXL, on the finite environments, demonstrates superior sample efficiency in Mystery Path and outperforms in Mortar Mayhem. However, GRU is more efficient on Searing Spotlights. Most notably, in all endless tasks, GRU makes a remarkable resurgence, consistently outperforming TrXL by significant margins. Website and Source Code: https://github.com/MarcoMeter/endless-memory-gym/
Authors: Binqing Wu, Weiqi Chen, Wengwei Wang, Bingqing Peng, Liang Sun, Ling Chen
Abstract: Due to insufficient local area information, numerical weather prediction (NWP) may yield biases for specific areas. Previous studies correct biases mainly by employing handcrafted features or applying data-driven methods intuitively, overlooking the complicated dependencies between weather factors and between areas. To address this issue, we propose WeatherGNN, a local NWP bias-correction method that utilizes Graph Neural Networks (GNNs) to exploit meteorological dependencies and spatial dependencies under the guidance of domain knowledge. Specifically, we introduce a factor GNN to capture area-specific meteorological dependencies adaptively based on spatial heterogeneity and a fast hierarchical GNN to capture dynamic spatial dependencies efficiently guided by Tobler's first and second laws of geography. Our experimental results on two real-world datasets demonstrate that WeatherGNN achieves the state-of-the-art performance, outperforming the best baseline with an average of 4.75 \% on RMSE.
Authors: Wenhan Yang, Jingdong Gao, Baharan Mirzasoleiman
Abstract: Contrastive Language-Image Pre-training (CLIP) on large image-caption datasets has achieved remarkable success in zero-shot classification and enabled transferability to new domains. However, CLIP is extremely more vulnerable to targeted data poisoning and backdoor attacks, compared to supervised learning. Perhaps surprisingly, poisoning 0.0001% of CLIP pre-training data is enough to make targeted data poisoning attacks successful. This is four orders of magnitude smaller than what is required to poison supervised models. Despite this vulnerability, existing methods are very limited in defending CLIP models during pre-training. In this work, we propose a strong defense, SAFECLIP, to safely pre-train CLIP against targeted data poisoning and backdoor attacks. SAFECLIP warms up the model by applying unimodal contrastive learning (CL) on image and text modalities separately. Then, it divides the data into safe and risky sets, by applying a Gaussian Mixture Model to the cosine similarity of image-caption pair representations. SAFECLIP pre-trains the model by applying the CLIP loss to the safe set and applying unimodal CL to image and text modalities of the risky set separately. By gradually increasing the size of the safe set during pre-training, SAFECLIP effectively breaks targeted data poisoning and backdoor attacks without harming the CLIP performance. Our extensive experiments on CC3M, Visual Genome, and MSCOCO demonstrate that SAFECLIP significantly reduces the success rate of targeted data poisoning attacks from 93.75% to 0% and that of various backdoor attacks from up to 100% to 0%, without harming CLIP's performance.
Authors: Zixiao Wang, Farzan Farnia, Zhenghao Lin, Yunheng Shen, Bei Yu
Abstract: The evaluation of deep generative models has been extensively studied in the centralized setting, where the reference data are drawn from a single probability distribution. On the other hand, several applications of generative models concern distributed settings, e.g. the federated learning setting, where the reference data for conducting evaluation are provided by several clients in a network. In this paper, we study the evaluation of generative models in such distributed contexts with potentially heterogeneous data distributions across clients. We focus on the widely-used distance-based evaluation metrics, Fr\'echet Inception Distance (FID) and Kernel Inception Distance (KID). In the case of KID metric, we prove that scoring a group of generative models using the clients' averaged KID score will result in the same ranking as that of a centralized KID evaluation over a collective reference set containing all the clients' data. In contrast, we show the same result does not apply to the FID-based evaluation. We provide examples in which two generative models are assigned the same FID score by each client in a distributed setting, while the centralized FID scores of the two models are significantly different. We perform several numerical experiments on standard image datasets and generative models to support our theoretical results on the distributed evaluation of generative models using FID and KID scores.
Authors: Mouxiang Chen, Lefei Shen, Han Fu, Zhuo Li, Jianling Sun, Chenghao Liu
Abstract: Recent years have witnessed the success of introducing deep learning models to time series forecasting. From a data generation perspective, we illustrate that existing models are susceptible to distribution shifts driven by temporal contexts, whether observed or unobserved. Such context-driven distribution shift (CDS) introduces biases in predictions within specific contexts and poses challenges for conventional training paradigms. In this paper, we introduce a universal calibration methodology for the detection and adaptation of CDS with a trained model. To this end, we propose a novel CDS detector, termed the "residual-based CDS detector" or "Reconditionor", which quantifies the model's vulnerability to CDS by evaluating the mutual information between prediction residuals and their corresponding contexts. A high Reconditionor score indicates a severe susceptibility, thereby necessitating model adaptation. In this circumstance, we put forth a straightforward yet potent adapter framework for model calibration, termed the "sample-level contextualized adapter" or "SOLID". This framework involves the curation of a contextually similar dataset to the provided test sample and the subsequent fine-tuning of the model's prediction layer with a limited number of steps. Our theoretical analysis demonstrates that this adaptation strategy can achieve an optimal bias-variance trade-off. Notably, our proposed Reconditionor and SOLID are model-agnostic and readily adaptable to a wide range of models. Extensive experiments show that SOLID consistently enhances the performance of current forecasting models on real-world datasets, especially on cases with substantial CDS detected by the proposed Reconditionor, thus validating the effectiveness of the calibration approach.
Authors: Tobias Weber, Michael Ingrisch, Bernd Bischl, David R\"ugamer
Abstract: Purpose: To analyze and remove protected feature effects in chest radiograph embeddings of deep learning models. Methods: An orthogonalization is utilized to remove the influence of protected features (e.g., age, sex, race) in CXR embeddings, ensuring feature-independent results. To validate the efficacy of the approach, we retrospectively study the MIMIC and CheXpert datasets using three pre-trained models, namely a supervised contrastive, a self-supervised contrastive, and a baseline classifier model. Our statistical analysis involves comparing the original versus the orthogonalized embeddings by estimating protected feature influences and evaluating the ability to predict race, age, or sex using the two types of embeddings. Results: Our experiments reveal a significant influence of protected features on predictions of pathologies. Applying orthogonalization removes these feature effects. Apart from removing any influence on pathology classification, while maintaining competitive predictive performance, orthogonalized embeddings further make it infeasible to directly predict protected attributes and mitigate subgroup disparities. Conclusion: The presented work demonstrates the successful application and evaluation of the orthogonalization technique in the domain of chest X-ray image classification.
Authors: Quentin Bouniot, Pavlo Mozharovskyi, Florence d'Alch\'e-Buc
Abstract: Among all data augmentation techniques proposed so far, linear interpolation of training samples, also called Mixup, has found to be effective for a large panel of applications. Along with improved performance, Mixup is also a good technique for improving calibration and predictive uncertainty. However, mixing data carelessly can lead to manifold intrusion, i.e., conflicts between the synthetic labels assigned and the true label distributions, which can deteriorate calibration. In this work, we argue that the likelihood of manifold intrusion increases with the distance between data to mix. To this end, we propose to dynamically change the underlying distributions of interpolation coefficients depending on the similarity between samples to mix, and define a flexible framework to do so without losing in diversity. We provide extensive experiments for classification and regression tasks, showing that our proposed method improves performance and calibration of models, while being much more efficient. The code for our work is available at https://github.com/qbouniot/sim_kernel_mixup.
Authors: Anurag Koul, Shivakanth Sujit, Shaoru Chen, Ben Evans, Lili Wu, Byron Xu, Rajan Chari, Riashat Islam, Raihan Seraj, Yonathan Efroni, Lekan Molu, Miro Dudik, John Langford, Alex Lamb
Abstract: Goal-conditioned planning benefits from learned low-dimensional representations of rich observations. While compact latent representations typically learned from variational autoencoders or inverse dynamics enable goal-conditioned decision making, they ignore state reachability, hampering their performance. In this paper, we learn a representation that associates reachable states together for effective planning and goal-conditioned policy learning. We first learn a latent representation with multi-step inverse dynamics (to remove distracting information), and then transform this representation to associate reachable states together in $\ell_2$ space. Our proposals are rigorously tested in various simulation testbeds. Numerical results in reward-based settings show significant improvements in sampling efficiency. Further, in reward-free settings this approach yields layered state abstractions that enable computationally efficient hierarchical planning for reaching ad hoc goals with zero additional samples.
Authors: Hao Dong, Ga\"etan Frusque, Yue Zhao, Eleni Chatzi, Olga Fink
Abstract: Anomaly detection (AD) is essential in identifying rare and often critical events in complex systems, finding applications in fields such as network intrusion detection, financial fraud detection, and fault detection in infrastructure and industrial systems. While AD is typically treated as an unsupervised learning task due to the high cost of label annotation, it is more practical to assume access to a small set of labeled anomaly samples from domain experts, as is the case for semi-supervised anomaly detection. Semi-supervised and supervised approaches can leverage such labeled data, resulting in improved performance. In this paper, rather than proposing a new semi-supervised or supervised approach for AD, we introduce a novel algorithm for generating additional pseudo-anomalies on the basis of the limited labeled anomalies and a large volume of unlabeled data. This serves as an augmentation to facilitate the detection of new anomalies. Our proposed algorithm, named Nearest Neighbor Gaussian Mixup (NNG-Mix), efficiently integrates information from both labeled and unlabeled data to generate pseudo-anomalies. We compare the performance of this novel algorithm with commonly applied augmentation techniques, such as Mixup and Cutout. We evaluate NNG-Mix by training various existing semi-supervised and supervised anomaly detection algorithms on the original training data along with the generated pseudo-anomalies. Through extensive experiments on 57 benchmark datasets in ADBench, reflecting different data types, we demonstrate that NNG-Mix outperforms other data augmentation methods. It yields significant performance improvements compared to the baselines trained exclusively on the original training data. Notably, NNG-Mix yields up to 16.4%, 8.8%, and 8.0% improvements on Classical, CV, and NLP datasets in ADBench. Our source code is available at https://github.com/donghao51/NNG-Mix.
Authors: Hongming Zhang, Tongzheng Ren, Chenjun Xiao, Dale Schuurmans, Bo Dai
Abstract: In most real-world reinforcement learning applications, state information is only partially observable, which breaks the Markov decision process assumption and leads to inferior performance for algorithms that conflate observations with state. Partially Observable Markov Decision Processes (POMDPs), on the other hand, provide a general framework that allows for partial observability to be accounted for in learning, exploration and planning, but presents significant computational and statistical challenges. To address these difficulties, we develop a representation-based perspective that leads to a coherent framework and tractable algorithmic approach for practical reinforcement learning from partial observations. We provide a theoretical analysis for justifying the statistical efficiency of the proposed algorithm, and also empirically demonstrate the proposed algorithm can surpass state-of-the-art performance with partial observations across various benchmarks, advancing reliable reinforcement learning towards more practical applications.
Authors: Zixi Wang, M. Cenk Gursoy
Abstract: Federated learning (FL) is a framework which allows multiple users to jointly train a global machine learning (ML) model by transmitting only model updates under the coordination of a parameter server, while being able to keep their datasets local. One key motivation of such distributed frameworks is to provide privacy guarantees to the users. However, preserving the users' datasets locally is shown to be not sufficient for privacy. Several differential privacy (DP) mechanisms have been proposed to provide provable privacy guarantees by introducing randomness into the framework, and majority of these mechanisms rely on injecting additive noise. FL frameworks also face the challenge of communication efficiency, especially as machine learning models grow in complexity and size. Quantization is a commonly utilized method, reducing the communication cost by transmitting compressed representation of the underlying information. Although there have been several studies on DP and quantization in FL, the potential contribution of the quantization method alone in providing privacy guarantees has not been extensively analyzed yet. We in this paper present a novel stochastic quantization method, utilizing a mixed geometric distribution to introduce the randomness needed to provide DP, without any additive noise. We provide convergence analysis for our framework and empirically study its performance.
Authors: Daniel Haimovich, Dima Karamshuk, Fridolin Linder, Niek Tax, Milan Vojnovic
Abstract: We investigate the convergence rates and data sample sizes required for training a machine learning model using a stochastic gradient descent (SGD) algorithm, where data points are sampled based on either their loss value or uncertainty value. These training methods are particularly relevant for active learning and data subset selection problems. For SGD with a constant step size update, we present convergence results for linear classifiers and linearly separable datasets using squared hinge loss and similar training loss functions. Additionally, we extend our analysis to more general classifiers and datasets, considering a wide range of loss-based sampling strategies and smooth convex training loss functions. We propose a novel algorithm called Adaptive-Weight Sampling (AWS) that utilizes SGD with an adaptive step size that achieves stochastic Polyak's step size in expectation. We establish convergence rate results for AWS for smooth convex training loss functions. Our numerical experiments demonstrate the efficiency of AWS on various datasets by using either exact or estimated loss values.
Authors: Ioannis Pitsiorlas, Argyro Tsantalidou, George Arvanitakis, Marios Kountouris, Charalambos Kontoes
Abstract: This study presents a new approach for estimating confidence in machine learning model predictions, specifically in regression tasks utilizing Earth Observation (EO) data, with a particular focus on mosquito abundance (MA) estimation. We take advantage of a Variational AutoEncoder architecture, to derive a confidence metric by the latent space representations of EO datasets. This methodology is pivotal in establishing a correlation between the Euclidean distance in latent representations and the Absolute Error (AE) in individual MA predictions. Our research focuses on EO datasets from the Veneto region in Italy and the Upper Rhine Valley in Germany, targeting areas significantly affected by mosquito populations. A key finding is a notable correlation of 0.46 between the AE of MA predictions and the proposed confidence metric. This correlation signifies a robust, new metric for quantifying the reliability and enhancing the trustworthiness of the AI model's predictions in the context of both EO data analysis and mosquito abundance studies.
Authors: Yan Dai, Qiwen Cui, Simon S. Du
Abstract: Markov Games (MG) is an important model for Multi-Agent Reinforcement Learning (MARL). It was long believed that the "curse of multi-agents" (i.e., the algorithmic performance drops exponentially with the number of agents) is unavoidable until several recent works (Daskalakis et al., 2023; Cui et al., 2023; Wang et al., 2023). While these works resolved the curse of multi-agents, when the state spaces are prohibitively large and (linear) function approximations are deployed, they either had a slower convergence rate of $O(T^{-1/4})$ or brought a polynomial dependency on the number of actions $A_{\max}$ -- which is avoidable in single-agent cases even when the loss functions can arbitrarily vary with time. This paper first refines the AVLPR framework by Wang et al. (2023), with an insight of designing *data-dependent* (i.e., stochastic) pessimistic estimation of the sub-optimality gap, allowing a broader choice of plug-in algorithms. When specialized to MGs with independent linear function approximations, we propose novel *action-dependent bonuses* to cover occasionally extreme estimation errors. With the help of state-of-the-art techniques from the single-agent RL literature, we give the first algorithm that tackles the curse of multi-agents, attains the optimal $O(T^{-1/2})$ convergence rate, and avoids $\text{poly}(A_{\max})$ dependency simultaneously.
Authors: Shinsaku Sakaue, Han Bao, Taira Tsuchiya, Taihei Oki
Abstract: This paper studies online structured prediction with full-information feedback. For online multiclass classification, Van der Hoeven (2020) established \emph{finite} surrogate regret bounds, which are independent of the time horizon, by introducing an elegant \emph{exploit-the-surrogate-gap} framework. However, this framework has been limited to multiclass classification primarily because it relies on a classification-specific procedure for converting estimated scores to outputs. We extend the exploit-the-surrogate-gap framework to online structured prediction with \emph{Fenchel--Young losses}, a large family of surrogate losses that includes the logistic loss for multiclass classification as a special case, obtaining finite surrogate regret bounds in various structured prediction problems. To this end, we propose and analyze \emph{randomized decoding}, which converts estimated scores to general structured outputs. Moreover, by applying our decoding to online multiclass classification with the logistic loss, we obtain a surrogate regret bound of $O(\| \mathbf{U} \|_\mathrm{F}^2)$, where $\mathbf{U}$ is the best offline linear estimator and $\| \cdot \|_\mathrm{F}$ denotes the Frobenius norm. This bound is tight up to logarithmic factors and improves the previous bound of $O(d\| \mathbf{U} \|_\mathrm{F}^2)$ due to Van der Hoeven (2020) by a factor of $d$, the number of classes.
Authors: Han Huang, Pakawut Jiradilok, Elchanan Mossel
Abstract: Random geometric graphs are random graph models defined on metric spaces. Such a model is defined by first sampling points from a metric space and then connecting each pair of sampled points with probability that depends on their distance, independently among pairs. In this work, we show how to efficiently reconstruct the geometry of the underlying space from the sampled graph under the manifold assumption, i.e., assuming that the underlying space is a low dimensional manifold and that the connection probability is a strictly decreasing function of the Euclidean distance between the points in a given embedding of the manifold in $\mathbb{R}^N$. Our work complements a large body of work on manifold learning, where the goal is to recover a manifold from sampled points sampled in the manifold along with their (approximate) distances.
Authors: Maksim Zhdanov, David Ruhe, Maurice Weiler, Ana Lucic, Johannes Brandstetter, Patrick Forr\'e
Abstract: We present Clifford-Steerable Convolutional Neural Networks (CS-CNNs), a novel class of $\mathrm{E}(p, q)$-equivariant CNNs. CS-CNNs process multivector fields on pseudo-Euclidean spaces $\mathbb{R}^{p,q}$. They cover, for instance, $\mathrm{E}(3)$-equivariance on $\mathbb{R}^3$ and Poincar\'e-equivariance on Minkowski spacetime $\mathbb{R}^{1,3}$. Our approach is based on an implicit parametrization of $\mathrm{O}(p,q)$-steerable kernels via Clifford group equivariant neural networks. We significantly and consistently outperform baseline methods on fluid dynamics as well as relativistic electrodynamics forecasting tasks.
Authors: Bob Junyi Zou, Matthew E. Levine, Dessi P. Zaharieva, Ramesh Johari, Emily B. Fox
Abstract: Hybrid models composing mechanistic ODE-based dynamics with flexible and expressive neural network components have grown rapidly in popularity, especially in scientific domains where such ODE-based modeling offers important interpretability and validated causal grounding (e.g., for counterfactual reasoning). The incorporation of mechanistic models also provides inductive bias in standard blackbox modeling approaches, critical when learning from small datasets or partially observed, complex systems. Unfortunately, as the hybrid models become more flexible, the causal grounding provided by the mechanistic model can quickly be lost. We address this problem by leveraging another common source of domain knowledge: \emph{ranking} of treatment effects for a set of interventions, even if the precise treatment effect is unknown. We encode this information in a \emph{causal loss} that we combine with the standard predictive loss to arrive at a \emph{hybrid loss} that biases our learning towards causally valid hybrid models. We demonstrate our ability to achieve a win-win, state-of-the-art predictive performance \emph{and} causal validity, in the challenging task of modeling glucose dynamics post-exercise in individuals with type 1 diabetes.
Authors: Georg Manten, Cecilia Casolo, Emilio Ferrucci, S{\o}ren Wengel Mogensen, Cristopher Salvi, Niki Kilbertus
Abstract: Inferring the causal structure underlying stochastic dynamical systems from observational data holds great promise in domains ranging from science and health to finance. Such processes can often be accurately modeled via stochastic differential equations (SDEs), which naturally imply causal relationships via "which variables enter the differential of which other variables". In this paper, we develop a kernel-based test of conditional independence (CI) on "path-space" -- e.g., solutions to SDEs, but applicable beyond that -- by leveraging recent advances in signature kernels. We demonstrate strictly superior performance of our proposed CI test compared to existing approaches on path-space and provide theoretical consistency results. Then, we develop constraint-based causal discovery algorithms for acyclic stochastic dynamical systems (allowing for self-loops) that leverage temporal information to recover the entire directed acyclic graph. Assuming faithfulness and a CI oracle, we show that our algorithms are sound and complete. We empirically verify that our developed CI test in conjunction with the causal discovery algorithms outperform baselines across a range of settings.
Authors: Benjamin Walker, Andrew D. McLeod, Tiexin Qin, Yichuan Cheng, Haoliang Li, Terry Lyons
Abstract: The vector field of a controlled differential equation (CDE) describes the relationship between a control path and the evolution of a solution path. Neural CDEs (NCDEs) treat time series data as observations from a control path, parameterise a CDE's vector field using a neural network, and use the solution path as a continuously evolving hidden state. As their formulation makes them robust to irregular sampling rates, NCDEs are a powerful approach for modelling real-world data. Building on neural rough differential equations (NRDEs), we introduce Log-NCDEs, a novel, effective, and efficient method for training NCDEs. The core component of Log-NCDEs is the Log-ODE method, a tool from the study of rough paths for approximating a CDE's solution. Log-NCDEs are shown to outperform NCDEs, NRDEs, the linear recurrent unit, S5, and MAMBA on a range of multivariate time series datasets with up to $50{,}000$ observations.
Authors: Moran Yanuka, Morris Alper, Hadar Averbuch-Elor, Raja Giryes
Abstract: Web-scale training on paired text-image data is becoming increasingly central to multimodal learning, but is challenged by the highly noisy nature of datasets in the wild. Standard data filtering approaches succeed in removing mismatched text-image pairs, but permit semantically related but highly abstract or subjective text. These approaches lack the fine-grained ability to isolate the most concrete samples that provide the strongest signal for learning in a noisy dataset. In this work, we propose a new metric, image caption concreteness, that evaluates caption text without an image reference to measure its concreteness and relevancy for use in multimodal learning. Our approach leverages strong foundation models for measuring visual-semantic information loss in multimodal representations. We demonstrate that this strongly correlates with human evaluation of concreteness in both single-word and sentence-level texts. Moreover, we show that curation using ICC complements existing approaches: It succeeds in selecting the highest quality samples from multimodal web-scale datasets to allow for efficient training in resource-constrained settings.
Authors: Markus J. Buehler
Abstract: Leveraging generative Artificial Intelligence (AI), we have transformed a dataset comprising 1,000 scientific papers into an ontological knowledge graph. Through an in-depth structural analysis, we have calculated node degrees, identified communities and connectivities, and evaluated clustering coefficients and betweenness centrality of pivotal nodes, uncovering fascinating knowledge architectures. The graph has an inherently scale-free nature, is highly connected, and can be used for graph reasoning by taking advantage of transitive and isomorphic properties that reveal unprecedented interdisciplinary relationships that can be used to answer queries, identify gaps in knowledge, propose never-before-seen material designs, and predict material behaviors. We compute deep node embeddings for combinatorial node similarity ranking for use in a path sampling strategy links dissimilar concepts that have previously not been related. One comparison revealed structural parallels between biological materials and Beethoven's 9th Symphony, highlighting shared patterns of complexity through isomorphic mapping. In another example, the algorithm proposed a hierarchical mycelium-based composite based on integrating path sampling with principles extracted from Kandinsky's 'Composition VII' painting. The resulting material integrates an innovative set of concepts that include a balance of chaos/order, adjustable porosity, mechanical strength, and complex patterned chemical functionalization. We uncover other isomorphisms across science, technology and art, revealing a nuanced ontology of immanence that reveal a context-dependent heterarchical interplay of constituents. Graph-based generative AI achieves a far higher degree of novelty, explorative capacity, and technical detail, than conventional approaches and establishes a widely useful framework for innovation by revealing hidden connections.
Authors: Shahin Mirshekari, Negin Hayeri Motedayen, Mohammad Ensaf
Abstract: This study introduces an innovative Gaussian Process (GP) model utilizing an ensemble kernel that integrates Radial Basis Function (RBF), Rational Quadratic, and Mat\'ern kernels for product sales forecasting. By applying Bayesian optimization, we efficiently find the optimal weights for each kernel, enhancing the model's ability to handle complex sales data patterns. Our approach significantly outperforms traditional GP models, achieving a notable 98\% accuracy and superior performance across key metrics including Mean Squared Error (MSE), Mean Absolute Error (MAE), Root Mean Squared Error (RMSE), and Coefficient of Determination ($R^2$). This advancement underscores the effectiveness of ensemble kernels and Bayesian optimization in improving predictive accuracy, offering profound implications for machine learning applications in sales forecasting.
Authors: Yiyuan Yang, Ming Jin, Haomin Wen, Chaoli Zhang, Yuxuan Liang, Lintao Ma, Yi Wang, Chenghao Liu, Bin Yang, Zenglin Xu, Jiang Bian, Shirui Pan, Qingsong Wen
Abstract: The study of time series is crucial for understanding trends and anomalies over time, enabling predictive insights across various sectors. Spatio-temporal data, on the other hand, is vital for analyzing phenomena in both space and time, providing a dynamic perspective on complex system interactions. Recently, diffusion models have seen widespread application in time series and spatio-temporal data mining. Not only do they enhance the generative and inferential capabilities for sequential and temporal data, but they also extend to other downstream tasks. In this survey, we comprehensively and thoroughly review the use of diffusion models in time series and spatio-temporal data, categorizing them by model category, task type, data modality, and practical application domain. In detail, we categorize diffusion models into unconditioned and conditioned types and discuss time series and spatio-temporal data separately. Unconditioned models, which operate unsupervised, are subdivided into probability-based and score-based models, serving predictive and generative tasks such as forecasting, anomaly detection, classification, and imputation. Conditioned models, on the other hand, utilize extra information to enhance performance and are similarly divided for both predictive and generative tasks. Our survey extensively covers their application in various fields, including healthcare, recommendation, climate, energy, audio, and transportation, providing a foundational understanding of how these models analyze and generate data. Through this structured overview, we aim to provide researchers and practitioners with a comprehensive understanding of diffusion models for time series and spatio-temporal data analysis, aiming to direct future innovations and applications by addressing traditional challenges and exploring innovative solutions within the diffusion model framework.
Authors: Mudit Gaur, Amrit Singh Bedi, Di Wang, Vaneet Aggarwal
Abstract: The current state-of-the-art theoretical analysis of Actor-Critic (AC) algorithms significantly lags in addressing the practical aspects of AC implementations. This crucial gap needs bridging to bring the analysis in line with practical implementations of AC. To address this, we advocate for considering the MMCLG criteria: \textbf{M}ulti-layer neural network parametrization for actor/critic, \textbf{M}arkovian sampling, \textbf{C}ontinuous state-action spaces, the performance of the \textbf{L}ast iterate, and \textbf{G}lobal optimality. These aspects are practically significant and have been largely overlooked in existing theoretical analyses of AC algorithms. In this work, we address these gaps by providing the first comprehensive theoretical analysis of AC algorithms that encompasses all five crucial practical aspects (covers MMCLG criteria). We establish global convergence sample complexity bounds of $\tilde{\mathcal{O}}\left({\epsilon^{-3}}\right)$. We achieve this result through our novel use of the weak gradient domination property of MDP's and our unique analysis of the error in critic estimation.
Authors: Jordan Dotzel, Yuzong Chen, Bahaa Kotb, Sushma Prasad, Gang Wu, Sheng Li, Mohamed S. Abdelfattah, Zhiru Zhang
Abstract: The increasing size of large language models (LLMs) traditionally requires low-precision integer formats to meet strict latency and power demands. Yet recently, alternative formats such as Normal Float (NF4) have increased model accuracy at the cost of increased chip area. In this work, we first conduct a large-scale analysis of LLM weights and activations across 30 networks and conclude that most distributions follow a Student's t-distribution. We then derive a new theoretically optimal format, Student Float (SF4), that improves over NF4 across modern LLMs, for example increasing the average accuracy on LLaMA2-7B by 0.76% across tasks. Using this format as a high-accuracy reference, we then propose augmenting E2M1 with two variants of supernormal support for higher model accuracy. Finally, we explore the quality and efficiency frontier across 11 datatypes by evaluating their model accuracy and hardware complexity. We discover a Pareto curve composed of INT4, E2M1, and E2M1 with supernormal support, which offers a continuous tradeoff between model accuracy and chip area. For example, E2M1 with supernormal support increases the accuracy of Phi-2 by up to 2.19% with 1.22% area overhead, enabling more LLM-based applications to be run at four bits. The supporting code is hosted at https://github.com/cornell-zhang/llm-datatypes.
Authors: Manh Khoi Duong, Stefan Conrad
Abstract: In this paper, we deal with bias mitigation techniques that remove specific data points from the training set to aim for a fair representation of the population in that set. Machine learning models are trained on these pre-processed datasets, and their predictions are expected to be fair. However, such approaches may exclude relevant data, making the attained subsets less trustworthy for further usage. To enhance the trustworthiness of prior methods, we propose additional requirements and objectives that the subsets must fulfill in addition to fairness: (1) group coverage, and (2) minimal data loss. While removing entire groups may improve the measured fairness, this practice is very problematic as failing to represent every group cannot be considered fair. In our second concern, we advocate for the retention of data while minimizing discrimination. By introducing a multi-objective optimization problem that considers fairness and data loss, we propose a methodology to find Pareto-optimal solutions that balance these objectives. By identifying such solutions, users can make informed decisions about the trade-off between fairness and data quality and select the most suitable subset for their application.
Authors: Pouria Saidi, Gautam Dasarathy, Visar Berisha
Abstract: Machine Learning (ML) is increasingly used across many disciplines with impressive reported results across many domain areas. However, recent studies suggest that the published performance of ML models are often overoptimistic. Validity concerns are underscored by findings of an inverse relationship between sample size and reported accuracy in published ML models, contrasting with the theory of learning curves where accuracy should improve or remain stable with increasing sample size. This paper investigates factors contributing to overoptimistic accuracy reports in ML-driven science, focusing on data leakage and publication bias. We introduce a novel stochastic model for observed accuracy, integrating parametric learning curves and the aforementioned biases. We then construct an estimator that corrects for these biases in observed data. Theoretical and empirical results show that our framework can estimate the underlying learning curve, providing realistic performance assessments from published results. Applying the model to meta-analyses in ML-driven science, including neuroimaging-based and speech-based classifications of neurological conditions, we find prevalent overoptimism and estimate the inherent limits of ML-based prediction in each domain.
Authors: Yudan Wang, Peiyao Xiao, Hao Ban, Kaiyi Ji, Shaofeng Zou
Abstract: Multi-task reinforcement learning (MTRL) has shown great promise in many real-world applications. Existing MTRL algorithms often aim to learn a policy that optimizes individual objective functions simultaneously with a given prior preference (or weights) on different tasks. However, these methods often suffer from the issue of \textit{gradient conflict} such that the tasks with larger gradients dominate the update direction, resulting in a performance degeneration on other tasks. In this paper, we develop a novel dynamic weighting multi-task actor-critic algorithm (MTAC) under two options of sub-procedures named as CA and FC in task weight updates. MTAC-CA aims to find a conflict-avoidant (CA) update direction that maximizes the minimum value improvement among tasks, and MTAC-FC targets at a much faster convergence rate. We provide a comprehensive finite-time convergence analysis for both algorithms. We show that MTAC-CA can find a $\epsilon+\epsilon_{\text{app}}$-accurate Pareto stationary policy using $\mathcal{O}({\epsilon^{-5}})$ samples, while ensuring a small $\epsilon+\sqrt{\epsilon_{\text{app}}}$-level CA distance (defined as the distance to the CA direction), where $\epsilon_{\text{app}}$ is the function approximation error. The analysis also shows that MTAC-FC improves the sample complexity to $\mathcal{O}(\epsilon^{-3})$, but with a constant-level CA distance. Our experiments on MT10 demonstrate the improved performance of our algorithms over existing MTRL methods with fixed preference.
Authors: Jiayan Guo, Yusen Huo, Zhilin Zhang, Tianyu Wang, Chuan Yu, Jian Xu, Yan Zhang, Bo Zheng
Abstract: Auto-bidding plays a crucial role in facilitating online advertising by automatically providing bids for advertisers. Reinforcement learning (RL) has gained popularity for auto-bidding. However, most current RL auto-bidding methods are modeled through the Markovian Decision Process (MDP), which assumes the Markovian state transition. This assumption restricts the ability to perform in long horizon scenarios and makes the model unstable when dealing with highly random online advertising environments. To tackle this issue, this paper introduces AI-Generated Bidding (AIGB), a novel paradigm for auto-bidding through generative modeling. In this paradigm, we propose DiffBid, a conditional diffusion modeling approach for bid generation. DiffBid directly models the correlation between the return and the entire trajectory, effectively avoiding error propagation across time steps in long horizons. Additionally, DiffBid offers a versatile approach for generating trajectories that maximize given targets while adhering to specific constraints. Extensive experiments conducted on the real-world dataset and online A/B test on Alibaba advertising platform demonstrate the effectiveness of DiffBid, achieving 2.81% increase in GMV and 3.36% increase in ROI.
Authors: Jacob Si, Wendy Yusi Cheng, Michael Cooper, Rahul G. Krishnan
Abstract: Tabular data are omnipresent in various sectors of industries. Neural networks for tabular data such as TabNet have been proposed to make predictions while leveraging the attention mechanism for interpretability. However, the inferred attention masks are often dense, making it challenging to come up with rationales about the predictive signal. To remedy this, we propose InterpreTabNet, a variant of the TabNet model that models the attention mechanism as a latent variable sampled from a Gumbel-Softmax distribution. This enables us to regularize the model to learn distinct concepts in the attention masks via a KL Divergence regularizer. It prevents overlapping feature selection by promoting sparsity which maximizes the model's efficacy and improves interpretability to determine the important features when predicting the outcome. To assist in the interpretation of feature interdependencies from our model, we employ a large language model (GPT-4) and use prompt engineering to map from the learned feature mask onto natural language text describing the learned signal. Through comprehensive experiments on real-world datasets, we demonstrate that InterpreTabNet outperforms previous methods for interpreting tabular data while attaining competitive accuracy.
Authors: Jianrong Ding, Zhanyu Liu, Guanjie Zheng, Haiming Jin, Linghe Kong
Abstract: Dataset condensation is a newborn technique that generates a small dataset that can be used in training deep neural networks to lower training costs. The objective of dataset condensation is to ensure that the model trained with the synthetic dataset can perform comparably to the model trained with full datasets. However, existing methods predominantly concentrate on classification tasks, posing challenges in their adaptation to time series forecasting (TS-forecasting). This challenge arises from disparities in the evaluation of synthetic data. In classification, the synthetic data is considered well-distilled if the model trained with the full dataset and the model trained with the synthetic dataset yield identical labels for the same input, regardless of variations in output logits distribution. Conversely, in TS-forecasting, the effectiveness of synthetic data distillation is determined by the distance between predictions of the two models. The synthetic data is deemed well-distilled only when all data points within the predictions are similar. Consequently, TS-forecasting has a more rigorous evaluation methodology compared to classification. To mitigate this gap, we theoretically analyze the optimization objective of dataset condensation for TS-forecasting and propose a new one-line plugin of dataset condensation designated as Dataset Condensation for Time Series Forecasting (CondTSF) based on our analysis. Plugging CondTSF into previous dataset condensation methods facilitates a reduction in the distance between the predictions of the model trained with the full dataset and the model trained with the synthetic dataset, thereby enhancing performance. We conduct extensive experiments on eight commonly used time series datasets. CondTSF consistently improves the performance of all previous dataset condensation methods across all datasets, particularly at low condensing ratios.
Authors: Tingxu Han, Weisong Sun, Ziqi Ding, Chunrong Fang, Hanwei Qian, Jiaxun Li, Zhenyu Chen, Xiangyu Zhang
Abstract: Self-supervised learning (SSL) is increasingly attractive for pre-training encoders without requiring labeled data. Downstream tasks built on top of those pre-trained encoders can achieve nearly state-of-the-art performance. The pre-trained encoders by SSL, however, are vulnerable to backdoor attacks as demonstrated by existing studies. Numerous backdoor mitigation techniques are designed for downstream task models. However, their effectiveness is impaired and limited when adapted to pre-trained encoders, due to the lack of label information when pre-training. To address backdoor attacks against pre-trained encoders, in this paper, we innovatively propose a mutual information guided backdoor mitigation technique, named MIMIC. MIMIC treats the potentially backdoored encoder as the teacher net and employs knowledge distillation to distill a clean student encoder from the teacher net. Different from existing knowledge distillation approaches, MIMIC initializes the student with random weights, inheriting no backdoors from teacher nets. Then MIMIC leverages mutual information between each layer and extracted features to locate where benign knowledge lies in the teacher net, with which distillation is deployed to clone clean features from teacher to student. We craft the distillation loss with two aspects, including clone loss and attention loss, aiming to mitigate backdoors and maintain encoder performance at the same time. Our evaluation conducted on two backdoor attacks in SSL demonstrates that MIMIC can significantly reduce the attack success rate by only utilizing <5% of clean data, surpassing seven state-of-the-art backdoor mitigation techniques.
Authors: Wei Shao, Yufan Kang, Ziyan Peng, Xiao Xiao, Lei Wang, Yuhui Yang, Flora D Salim
Abstract: Accuracy and timeliness are indeed often conflicting goals in prediction tasks. Premature predictions may yield a higher rate of false alarms, whereas delaying predictions to gather more information can render them too late to be useful. In applications such as wildfires, crimes, and traffic jams, timely predictions are vital for safeguarding human life and property. Consequently, finding a balance between accuracy and timeliness is crucial. In this paper, we propose a spatio-temporal early prediction model based on Multi-Objective reinforcement learning that can either implement an optimal policy given a preference or infer the preference based on a small number of samples. The model addresses two primary challenges: 1) enhancing the accuracy of early predictions and 2) providing the optimal policy for determining the most suitable prediction time for each area. Our method demonstrates superior performance on three large-scale real-world datasets, surpassing existing methods in early spatio-temporal prediction tasks.
Authors: Max M\"uller-Eberstein, Dianna Yee, Karren Yang, Gautam Varma Mantena, Colin Lea
Abstract: Parameter-efficient fine-tuning (PEFT) for personalizing automatic speech recognition (ASR) has recently shown promise for adapting general population models to atypical speech. However, these approaches assume a priori knowledge of the atypical speech disorder being adapted for -- the diagnosis of which requires expert knowledge that is not always available. Even given this knowledge, data scarcity and high inter/intra-speaker variability further limit the effectiveness of traditional fine-tuning. To circumvent these challenges, we first identify the minimal set of model parameters required for ASR adaptation. Our analysis of each individual parameter's effect on adaptation performance allows us to reduce Word Error Rate (WER) by half while adapting 0.03% of all weights. Alleviating the need for cohort-specific models, we next propose the novel use of a meta-learned hypernetwork to generate highly individualized, utterance-level adaptations on-the-fly for a diverse set of atypical speech characteristics. Evaluating adaptation at the global, cohort and individual-level, we show that hypernetworks generalize better to out-of-distribution speakers, while maintaining an overall relative WER reduction of 75.2% using 0.1% of the full parameter budget.
Authors: Paul Mineiro
Abstract: A Flow is a collection of component models (``Agents'') which constructs the solution to a complex problem via iterative communication. Flows have emerged as state of the art architectures for code generation, and are the raison d'etre for frameworks like Autogen. However, flows are currently constructed via a combination of manual prompt engineering and stagewise supervised learning techniques; the latter is limited to acyclic flows with granular node supervision. In this writeup I describe a procedure for online joint fine-tuning of an entire flow inspired by the Learning to Search framework. The approach leverages simulator access to reduce preferences over entire episodes to preferences over individual node outputs; when the components are language models the latter is a well-studied problem. The approach is applicable to reward-free settings (e.g., text feedback) if an episode evaluator model is available. I apply to the multi-hop QA dataset Musique achieving a state-of-the-art result.
Authors: Appan Rakaraddi, Lam Siew-Kei, Mahardhika Pratama, Marcus de Carvalho
Abstract: Multitude of deep learning models have been proposed for node classification in graphs. However, they tend to perform poorly under labeled-data scarcity. Although Few-shot learning for graphs has been introduced to overcome this problem, the existing models are not easily adaptable for generic graph learning frameworks like Graph Neural Networks (GNNs). Our work proposes an Uncertainty Estimator framework that can be applied on top of any generic GNN backbone network (which are typically designed for supervised/semi-supervised node classification) to improve the node classification performance. A neural network is used to model the Uncertainty Estimator as a probability distribution rather than probabilistic discrete scalar values. We train these models under the classic episodic learning paradigm in the $n$-way, $k$-shot fashion, in an end-to-end setting. Our work demonstrates that implementation of the uncertainty estimator on a GNN backbone network improves the classification accuracy under Few-shot setting without any meta-learning specific architecture. We conduct experiments on multiple datasets under different Few-shot settings and different GNN-based backbone networks. Our method outperforms the baselines, which demonstrates the efficacy of the Uncertainty Estimator for Few-shot node classification on graphs with a GNN.
Authors: Lukas Weigand, Tim Roith, Martin Burger
Abstract: A popular method to perform adversarial attacks on neuronal networks is the so-called fast gradient sign method and its iterative variant. In this paper, we interpret this method as an explicit Euler discretization of a differential inclusion, where we also show convergence of the discretization to the associated gradient flow. To do so, we consider the concept of p-curves of maximal slope in the case $p=\infty$. We prove existence of $\infty$-curves of maximum slope and derive an alternative characterization via differential inclusions. Furthermore, we also consider Wasserstein gradient flows for potential energies, where we show that curves in the Wasserstein space can be characterized by a representing measure on the space of curves in the underlying Banach space, which fulfill the differential inclusion. The application of our theory to the finite-dimensional setting is twofold: On the one hand, we show that a whole class of normalized gradient descent methods (in particular signed gradient descent) converge, up to subsequences, to the flow, when sending the step size to zero. On the other hand, in the distributional setting, we show that the inner optimization task of adversarial training objective can be characterized via $\infty$-curves of maximum slope on an appropriate optimal transport space.
Authors: Yurui Lai, Xiaoyang Lin, Renchi Yang, Hongtao Wang
Abstract: In recent years, graph neural networks (GNNs) have emerged as a potent tool for learning on graph-structured data and won fruitful successes in varied fields. The majority of GNNs follow the message-passing paradigm, where representations of each node are learned by recursively aggregating features of its neighbors. However, this mechanism brings severe over-smoothing and efficiency issues over high-degree graphs (HDGs), wherein most nodes have dozens (or even hundreds) of neighbors, such as social networks, transaction graphs, power grids, etc. Additionally, such graphs usually encompass rich and complex structure semantics, which are hard to capture merely by feature aggregations in GNNs. Motivated by the above limitations, we propose TADA, an efficient and effective front-mounted data augmentation framework for GNNs on HDGs. Under the hood, TADA includes two key modules: (i) feature expansion with structure embeddings, and (ii) topology- and attribute-aware graph sparsification. The former obtains augmented node features and enhanced model capacity by encoding the graph structure into high-quality structure embeddings with our highly-efficient sketching method. Further, by exploiting task-relevant features extracted from graph structures and attributes, the second module enables the accurate identification and reduction of numerous redundant/noisy edges from the input graph, thereby alleviating over-smoothing and facilitating faster feature aggregations over HDGs. Empirically, TADA considerably improves the predictive performance of mainstream GNN models on 8 real homophilic/heterophilic HDGs in terms of node classification, while achieving efficient training and inference processes.
Authors: Hong Xiong, Feng Wu, Leon Deng, Megan Su, Li-wei H Lehman
Abstract: In the context of medical decision making, counterfactual prediction enables clinicians to predict treatment outcomes of interest under alternative courses of therapeutic actions given observed patient history. Prior machine learning approaches for counterfactual predictions under time-varying treatments focus on static time-varying treatment regimes where treatments do not depend on previous covariate history. In this work, we present G-Transformer, a Transformer-based framework supporting g-computation for counterfactual prediction under dynamic and time-varying treatment strategies. G-Transfomer captures complex, long-range dependencies in time-varying covariates using a Transformer architecture. G-Transformer estimates the conditional distribution of relevant covariates given covariate and treatment history at each time point using an encoder architecture, then produces Monte Carlo estimates of counterfactual outcomes by simulating forward patient trajectories under treatment strategies of interest. We evaluate G-Transformer extensively using two simulated longitudinal datasets from mechanistic models, and a real-world sepsis ICU dataset from MIMIC-IV. G-Transformer outperforms both classical and state-of-the-art counterfactual prediction models in these settings. To the best of our knowledge, this is the first Transformer-based architecture for counterfactual outcome prediction under dynamic and time-varying treatment strategies. Code will be released upon publication of the paper.
Authors: David R Wessels, David M Knigge, Samuele Papa, Riccardo Valperga, Sharvaree Vadgama, Efstratios Gavves, Erik J Bekkers
Abstract: Recently, Neural Fields have emerged as a powerful modelling paradigm to represent continuous signals. In a conditional neural field, a field is represented by a latent variable that conditions the NeF, whose parametrisation is otherwise shared over an entire dataset. We propose Equivariant Neural Fields based on cross attention transformers, in which NeFs are conditioned on a geometric conditioning variable, a latent point cloud, that enables an equivariant decoding from latent to field. Our equivariant approach induces a steerability property by which both field and latent are grounded in geometry and amenable to transformation laws if the field transforms, the latent represents transforms accordingly and vice versa. Crucially, the equivariance relation ensures that the latent is capable of (1) representing geometric patterns faitfhully, allowing for geometric reasoning in latent space, (2) weightsharing over spatially similar patterns, allowing for efficient learning of datasets of fields. These main properties are validated using classification experiments and a verification of the capability of fitting entire datasets, in comparison to other non-equivariant NeF approaches. We further validate the potential of ENFs by demonstrate unique local field editing properties.
Authors: Yixin Song, Haotong Xie, Zhengyan Zhang, Bo Wen, Li Ma, Zeyu Mi, Haibo Chen
Abstract: Exploiting activation sparsity is a promising approach to significantly accelerating the inference process of large language models (LLMs) without compromising performance. However, activation sparsity is determined by activation functions, and commonly used ones like SwiGLU and GeGLU exhibit limited sparsity. Simply replacing these functions with ReLU fails to achieve sufficient sparsity. Moreover, inadequate training data can further increase the risk of performance degradation. To address these challenges, we propose a novel dReLU function, which is designed to improve LLM activation sparsity, along with a high-quality training data mixture ratio to facilitate effective sparsification. Additionally, we leverage sparse activation patterns within the Feed-Forward Network (FFN) experts of Mixture-of-Experts (MoE) models to further boost efficiency. By applying our neuron sparsification method to the Mistral and Mixtral models, only 2.5 billion and 4.3 billion parameters are activated per inference iteration, respectively, while achieving even more powerful model performance. Evaluation results demonstrate that this sparsity achieves a 2-5x decoding speedup. Remarkably, on mobile phones, our TurboSparse-Mixtral-47B achieves an inference speed of 11 tokens per second. Our models are available at \url{https://huggingface.co/PowerInfer}
Authors: Haoran You (Celine), Yipin Guo (Celine), Yichao Fu (Celine), Wei Zhou (Celine), Huihong Shi (Celine), Xiaofan Zhang (Celine), Souvik Kundu (Celine), Amir Yazdanbakhsh (Celine), Yingyan (Celine), Lin
Abstract: Large language models (LLMs) have shown impressive performance on language tasks but face challenges when deployed on resource-constrained devices due to their extensive parameters and reliance on dense multiplications, resulting in high memory demands and latency bottlenecks. Shift-and-add reparameterization offers a promising solution by replacing costly multiplications with hardware-friendly primitives in both the attention and multi-layer perceptron (MLP) layers of an LLM. However, current reparameterization techniques require training from scratch or full parameter fine-tuning to restore accuracy, which is resource-intensive for LLMs. To address this, we propose accelerating pretrained LLMs through post-training shift-and-add reparameterization, creating efficient multiplication-free models, dubbed ShiftAddLLM. Specifically, we quantize each weight matrix into binary matrices paired with group-wise scaling factors. The associated multiplications are reparameterized into (1) shifts between activations and scaling factors and (2) queries and adds according to the binary matrices. To reduce accuracy loss, we present a multi-objective optimization method to minimize both weight and output activation reparameterization errors. Additionally, based on varying sensitivity across layers to reparameterization, we develop an automated bit allocation strategy to further reduce memory usage and latency. Experiments on five LLM families and eight tasks consistently validate the effectiveness of ShiftAddLLM, achieving average perplexity improvements of 5.6 and 22.7 points at comparable or lower latency compared to the most competitive quantized LLMs at 3 and 2 bits, respectively, and more than 80% memory and energy reductions over the original LLMs. Codes and models are available at https://github.com/GATECH-EIC/ShiftAddLLM.
Authors: Jason Shuo Zhang, Benjamin Howson, Panayiota Savva, Eleanor Loh
Abstract: Personalised discount codes provide a powerful mechanism for managing customer relationships and operational spend in e-commerce. Bandits are well suited for this product area, given the partial information nature of the problem, as well as the need for adaptation to the changing business environment. Here, we introduce DISCO, an end-to-end contextual bandit framework for personalised discount code allocation at ASOS. DISCO adapts the traditional Thompson Sampling algorithm by integrating it within an integer program, thereby allowing for operational cost control. Because bandit learning is often worse with high dimensional actions, we focused on building low dimensional action and context representations that were nonetheless capable of good accuracy. Additionally, we sought to build a model that preserved the relationship between price and sales, in which customers increasing their purchasing in response to lower prices ("negative price elasticity"). These aims were achieved by using radial basis functions to represent the continuous (i.e. infinite armed) action space, in combination with context embeddings extracted from a neural network. These feature representations were used within a Thompson Sampling framework to facilitate exploration, and further integrated with an integer program to allocate discount codes across ASOS's customer base. These modelling decisions result in a reward model that (a) enables pooled learning across similar actions, (b) is highly accurate, including in extrapolation, and (c) preserves the expected negative price elasticity. Through offline analysis, we show that DISCO is able to effectively enact exploration and improves its performance over time, despite the global constraint. Finally, we subjected DISCO to a rigorous online A/B test, and find that it achieves a significant improvement of >1% in average basket value, relative to the legacy systems.
Authors: Kimia Kazemian, Yahya Sattar, Sarah Dean
Abstract: Modern data-driven control applications call for flexible nonlinear models that are amenable to principled controller synthesis and realtime feedback. Many nonlinear dynamical systems of interest are control affine. We propose two novel classes of nonlinear feature representations which capture control affine structure while allowing for arbitrary complexity in the state dependence. Our methods make use of random features (RF) approximations, inheriting the expressiveness of kernel methods at a lower computational cost. We formalize the representational capabilities of our methods by showing their relationship to the Affine Dot Product (ADP) kernel proposed by Casta\~neda et al. (2021) and a novel Affine Dense (AD) kernel that we introduce. We further illustrate the utility by presenting a case study of data-driven optimization-based control using control certificate functions (CCF). Simulation experiments on a double pendulum empirically demonstrate the advantages of our methods.
Authors: Mingzhang Yin, Yixin Wang, David M. Blei
Abstract: This paper presents a new optimization approach to causal estimation. Given data that contains covariates and an outcome, which covariates are causes of the outcome, and what is the strength of the causality? In classical machine learning (ML), the goal of optimization is to maximize predictive accuracy. However, some covariates might exhibit a non-causal association with the outcome. Such spurious associations provide predictive power for classical ML, but they prevent us from causally interpreting the result. This paper proposes CoCo, an optimization algorithm that bridges the gap between pure prediction and causal inference. CoCo leverages the recently-proposed idea of environments, datasets of covariates/response where the causal relationships remain invariant but where the distribution of the covariates changes from environment to environment. Given datasets from multiple environments-and ones that exhibit sufficient heterogeneity-CoCo maximizes an objective for which the only solution is the causal solution. We describe the theoretical foundations of this approach and demonstrate its effectiveness on simulated and real datasets. Compared to classical ML and existing methods, CoCo provides more accurate estimates of the causal model and more accurate predictions under interventions.
Authors: Edwige Cyffers, Mathieu Even, Aur\'elien Bellet, Laurent Massouli\'e
Abstract: Decentralized optimization is increasingly popular in machine learning for its scalability and efficiency. Intuitively, it should also provide better privacy guarantees, as nodes only observe the messages sent by their neighbors in the network graph. But formalizing and quantifying this gain is challenging: existing results are typically limited to Local Differential Privacy (LDP) guarantees that overlook the advantages of decentralization. In this work, we introduce pairwise network differential privacy, a relaxation of LDP that captures the fact that the privacy leakage from a node $u$ to a node $v$ may depend on their relative position in the graph. We then analyze the combination of local noise injection with (simple or randomized) gossip averaging protocols on fixed and random communication graphs. We also derive a differentially private decentralized optimization algorithm that alternates between local gradient descent steps and gossip averaging. Our results show that our algorithms amplify privacy guarantees as a function of the distance between nodes in the graph, matching the privacy-utility trade-off of the trusted curator, up to factors that explicitly depend on the graph topology. Finally, we illustrate our privacy gains with experiments on synthetic and real-world datasets.
Authors: Milad Sefidgaran, Abdellatif Zaidi
Abstract: In this paper, we establish novel data-dependent upper bounds on the generalization error through the lens of a "variable-size compressibility" framework that we introduce newly here. In this framework, the generalization error of an algorithm is linked to a variable-size 'compression rate' of its input data. This is shown to yield bounds that depend on the empirical measure of the given input data at hand, rather than its unknown distribution. Our new generalization bounds that we establish are tail bounds, tail bounds on the expectation, and in-expectations bounds. Moreover, it is shown that our framework also allows to derive general bounds on any function of the input data and output hypothesis random variables. In particular, these general bounds are shown to subsume and possibly improve over several existing PAC-Bayes and data-dependent intrinsic dimension-based bounds that are recovered as special cases, thus unveiling a unifying character of our approach. For instance, a new data-dependent intrinsic dimension-based bound is established, which connects the generalization error to the optimization trajectories and reveals various interesting connections with the rate-distortion dimension of a process, the R\'enyi information dimension of a process, and the metric mean dimension.
Authors: Mohammad Adiban, Kalin Stefanov, Sabato Marco Siniscalchi, Giampiero Salvi
Abstract: We address the video prediction task by putting forth a novel model that combines (i) our recently proposed hierarchical residual vector quantized variational autoencoder (HR-VQVAE), and (ii) a novel spatiotemporal PixelCNN (ST-PixelCNN). We refer to this approach as a sequential hierarchical residual learning vector quantized variational autoencoder (S-HR-VQVAE). By leveraging the intrinsic capabilities of HR-VQVAE at modeling still images with a parsimonious representation, combined with the ST-PixelCNN's ability at handling spatiotemporal information, S-HR-VQVAE can better deal with chief challenges in video prediction. These include learning spatiotemporal information, handling high dimensional data, combating blurry prediction, and implicit modeling of physical characteristics. Extensive experimental results on the KTH Human Action and Moving-MNIST tasks demonstrate that our model compares favorably against top video prediction techniques both in quantitative and qualitative evaluations despite a much smaller model size. Finally, we boost S-HR-VQVAE by proposing a novel training method to jointly estimate the HR-VQVAE and ST-PixelCNN parameters.
Authors: Xinyu Zhang, Hanbin Hong, Yuan Hong, Peng Huang, Binghui Wang, Zhongjie Ba, Kui Ren
Abstract: The language models, especially the basic text classification models, have been shown to be susceptible to textual adversarial attacks such as synonym substitution and word insertion attacks. To defend against such attacks, a growing body of research has been devoted to improving the model robustness. However, providing provable robustness guarantees instead of empirical robustness is still widely unexplored. In this paper, we propose Text-CRS, a generalized certified robustness framework for natural language processing (NLP) based on randomized smoothing. To our best knowledge, existing certified schemes for NLP can only certify the robustness against $\ell_0$ perturbations in synonym substitution attacks. Representing each word-level adversarial operation (i.e., synonym substitution, word reordering, insertion, and deletion) as a combination of permutation and embedding transformation, we propose novel smoothing theorems to derive robustness bounds in both permutation and embedding space against such adversarial operations. To further improve certified accuracy and radius, we consider the numerical relationships between discrete words and select proper noise distributions for the randomized smoothing. Finally, we conduct substantial experiments on multiple language models and datasets. Text-CRS can address all four different word-level adversarial operations and achieve a significant accuracy improvement. We also provide the first benchmark on certified accuracy and radius of four word-level operations, besides outperforming the state-of-the-art certification against synonym substitution attacks.
Authors: Yihan Zhang, Hong Chang Ji, Ramji Venkataramanan, Marco Mondelli
Abstract: We consider the problem of parameter estimation in a high-dimensional generalized linear model. Spectral methods obtained via the principal eigenvector of a suitable data-dependent matrix provide a simple yet surprisingly effective solution. However, despite their wide use, a rigorous performance characterization, as well as a principled way to preprocess the data, are available only for unstructured (i.i.d.\ Gaussian and Haar orthogonal) designs. In contrast, real-world data matrices are highly structured and exhibit non-trivial correlations. To address the problem, we consider correlated Gaussian designs capturing the anisotropic nature of the features via a covariance matrix $\Sigma$. Our main result is a precise asymptotic characterization of the performance of spectral estimators. This allows us to identify the optimal preprocessing that minimizes the number of samples needed for parameter estimation. Surprisingly, such preprocessing is universal across a broad set of statistical models, which partly addresses a conjecture on optimal spectral estimators for rotationally invariant designs. Our principled approach vastly improves upon previous heuristic methods, including for designs common in computational imaging and genetics. The proposed methodology, based on approximate message passing, is broadly applicable and opens the way to the precise characterization of spiked matrices and of the corresponding spectral methods in a variety of settings.
Authors: Jianhua Qiua, Weihua Liu, Chaochao Lin, Jiaojiao Li, Haoping Yu, Said Boumaraf
Abstract: Face parsing infers a pixel-wise label map for each semantic facial component. Previous methods generally work well for uncovered faces, however, they overlook facial occlusion and ignore some contextual areas outside a single face, especially when facial occlusion has become a common situation during the COVID-19 epidemic. Inspired by the lighting phenomena in everyday life, where illumination from four distinct lamps provides a more uniform distribution than a single central light source, we propose a novel homogeneous tanh-transform for image preprocessing, which is made up of four tanh-transforms. These transforms fuse the central vision and the peripheral vision together. Our proposed method addresses the dilemma of face parsing under occlusion and compresses more information from the surrounding context. Based on homogeneous tanh-transforms, we propose an occlusion-aware convolutional neural network for occluded face parsing. It combines information in both Tanh-polar space and Tanh-Cartesian space, capable of enhancing receptive fields. Furthermore, we introduce an occlusion-aware loss to focus on the boundaries of occluded regions. The network is simple, flexible, and can be trained end-to-end. To facilitate future research of occluded face parsing, we also contribute a new cleaned face parsing dataset. This dataset is manually purified from several academic or industrial datasets, including CelebAMask-HQ, Short-video Face Parsing, and the Helen dataset, and will be made public. Experiments demonstrate that our method surpasses state-of-the-art methods in face parsing under occlusion.
Authors: Alexander Gebhard, Andreas Triantafyllopoulos, Teresa Bez, Lukas Christ, Alexander Kathan, Bj\"orn W. Schuller
Abstract: Advances in passive acoustic monitoring and machine learning have led to the procurement of vast datasets for computational bioacoustic research. Nevertheless, data scarcity is still an issue for rare and underrepresented species. This study investigates how meta-information can improve zero-shot audio classification, utilising bird species as an example case study due to the availability of rich and diverse meta-data. We investigate three different sources of metadata: textual bird sound descriptions encoded via (S)BERT, functional traits (AVONET), and bird life-history (BLH) characteristics. As audio features, we extract audio spectrogram transformer (AST) embeddings and project them to the dimension of the auxiliary information by adopting a single linear layer. Then, we employ the dot product as compatibility function and a standard zero-shot learning ranking hinge loss to determine the correct class. The best results are achieved by concatenating the AVONET and BLH features attaining a mean unweighted F1-score of .233 over five different test sets with 8 to 10 classes.
Authors: Muah Kim, Rick Fritschek, Rafael F. Schaefer
Abstract: Strong generative models can accurately learn channel distributions. This could save recurring costs for physical measurements of the channel. Moreover, the resulting differentiable channel model supports training neural encoders by enabling gradient-based optimization. The initial approach in the literature draws upon the modern advancements in image generation, utilizing generative adversarial networks (GANs) or their enhanced variants to generate channel distributions. In this paper, we address this channel approximation challenge with diffusion models (DMs), which have demonstrated high sample quality and mode coverage in image generation. In addition to testing the generative performance of the channel distributions, we use an end-to-end (E2E) coded-modulation framework underpinned by DMs and propose an efficient training algorithm. Our simulations with various channel models show that a DM can accurately learn channel distributions, enabling an E2E framework to achieve near-optimal symbol error rates (SERs). Furthermore, we examine the trade-off between mode coverage and sampling speed through skipped sampling using sliced Wasserstein distance (SWD) and the E2E SER. We investigate the effect of noise scheduling on this trade-off, demonstrating that with an appropriate choice of parameters and techniques, sampling time can be significantly reduced with a minor increase in SWD and SER. Finally, we show that the DM can generate a correlated fading channel, whereas a strong GAN variant fails to learn the covariance. This paper highlights the potential benefits of using DMs for learning channel distributions, which could be further investigated for various channels and advanced techniques of DMs.
Authors: Florent Forest, Hugo Porta, Devis Tuia, Olga Fink
Abstract: Monitoring surface cracks in infrastructure is crucial for structural health monitoring. Automatic visual inspection offers an effective solution, especially in hard-to-reach areas. Machine learning approaches have proven their effectiveness but typically require large annotated datasets for supervised training. Once a crack is detected, monitoring its severity often demands precise segmentation of the damage. However, pixel-level annotation of images for segmentation is labor-intensive. To mitigate this cost, one can leverage explainable artificial intelligence (XAI) to derive segmentations from the explanations of a classifier, requiring only weak image-level supervision. This paper proposes applying this methodology to segment and monitor surface cracks. We evaluate the performance of various XAI methods and examine how this approach facilitates severity quantification and growth monitoring. Results reveal that while the resulting segmentation masks may exhibit lower quality than those produced by supervised methods, they remain meaningful and enable severity monitoring, thus reducing substantial labeling costs.
Authors: Qiming Xie, Zengzhi Wang, Yi Feng, Rui Xia
Abstract: We observe that current conversational language models often waver in their judgments when faced with follow-up questions, even if the original judgment was correct. This wavering presents a significant challenge for generating reliable responses and building user trust. To comprehensively assess this issue, we introduce a \textsc{Follow-up Questioning Mechanism} along with two metrics to quantify this inconsistency, confirming its widespread presence in current language models. To mitigate this issue, we explore various prompting strategies for closed-source models; moreover, we develop a training-based framework \textsc{Unwavering-FQ} that teaches language models to maintain their originally correct judgments through synthesized high-quality preference data. Our experimental results confirm the effectiveness of our framework and its ability to enhance the general capabilities of models.
Authors: Samuel Hsia, Alicia Golden, Bilge Acun, Newsha Ardalani, Zachary DeVito, Gu-Yeon Wei, David Brooks, Carole-Jean Wu
Abstract: Training and deploying large-scale machine learning models is time-consuming, requires significant distributed computing infrastructures, and incurs high operational costs. Our analysis, grounded in real-world large model training on datacenter-scale infrastructures, reveals that 14~32% of all GPU hours are spent on communication with no overlapping computation. To minimize this outstanding communication latency and other inherent at-scale inefficiencies, we introduce an agile performance modeling framework, MAD-Max. This framework is designed to optimize parallelization strategies and facilitate hardware-software co-design opportunities. Through the application of MAD-Max to a suite of real-world large-scale ML models on state-of-the-art GPU clusters, we showcase potential throughput enhancements of up to 2.24x for pre-training and up to 5.2x for inference scenarios, respectively.
Authors: Eric Aubinais, Elisabeth Gassiat, Pablo Piantanida
Abstract: Membership inference attacks (MIA) can reveal whether a particular data point was part of the training dataset, potentially exposing sensitive information about individuals. This article provides theoretical guarantees by exploring the fundamental statistical limitations associated with MIAs on machine learning models. More precisely, we first derive the statistical quantity that governs the effectiveness and success of such attacks. We then theoretically prove that in a non-linear regression setting with overfitting algorithms, attacks may have a high probability of success. Finally, we investigate several situations for which we provide bounds on this quantity of interest. Interestingly, our findings indicate that discretizing the data might enhance the algorithm's security. Specifically, it is demonstrated to be limited by a constant, which quantifies the diversity of the underlying data distribution. We illustrate those results through two simple simulations.
Authors: Haoxiang Wang, Pavan Kumar Anasosalu Vasu, Fartash Faghri, Raviteja Vemulapalli, Mehrdad Farajtabar, Sachin Mehta, Mohammad Rastegari, Oncel Tuzel, Hadi Pouransari
Abstract: The landscape of publicly available vision foundation models (VFMs), such as CLIP and Segment Anything Model (SAM), is expanding rapidly. VFMs are endowed with distinct capabilities stemming from their pre-training objectives. For instance, CLIP excels in semantic understanding, while SAM specializes in spatial understanding for segmentation. In this work, we introduce a simple recipe to efficiently merge VFMs into a unified model that absorbs their expertise. Our method integrates techniques of multi-task learning, continual learning, and distillation. Further, it demands significantly less computational cost compared to traditional multi-task training from scratch, and it only needs a small fraction of the pre-training datasets that were initially used to train individual models. By applying our method to SAM and CLIP, we obtain SAM-CLIP: a unified model that combines the capabilities of SAM and CLIP into a single vision transformer. Compared with deploying SAM and CLIP independently, our merged model, SAM-CLIP, reduces storage and compute costs for inference, making it well-suited for edge device applications. We show that SAM-CLIP not only retains the foundational strengths of SAM and CLIP, but also introduces synergistic functionalities, notably in zero-shot semantic segmentation, where SAM-CLIP establishes new state-of-the-art results on 5 benchmarks. It outperforms previous models that are specifically designed for this task by a large margin, including +6.8% and +5.9% mean IoU improvement on Pascal-VOC and COCO-Stuff datasets, respectively.
Authors: Luca Ambrogioni
Abstract: Generative diffusion models have achieved spectacular performance in many areas of machine learning and generative modeling. While the fundamental ideas behind these models come from non-equilibrium physics, variational inference and stochastic calculus, in this paper we show that many aspects of these models can be understood using the tools of equilibrium statistical mechanics. Using this reformulation, we show that generative diffusion models undergo second-order phase transitions corresponding to symmetry breaking phenomena. We show that these phase-transitions are always in a mean-field universality class, as they are the result of a self-consistency condition in the generative dynamics. We argue that the critical instability that arises from the phase transitions lies at the heart of their generative capabilities, which are characterized by a set of mean-field critical exponents. Finally, we show that the dynamic equation of the generative process can be interpreted as a stochastic adiabatic transformation that minimizes the free energy while keeping the system in thermal equilibrium.
Authors: Robert A. Bridges, Vandy J. Tombs, Christopher B. Stanley
Abstract: The Exponential Mechanism (ExpM), designed for private optimization, has been historically sidelined from use on continuous sample spaces, as it requires sampling from a generally intractable density, and, to a lesser extent, bounding the sensitivity of the objective function. Any differential privacy (DP) mechanism can be instantiated as ExpM, and ExpM poses an elegant solution for private machine learning (ML) that bypasses inherent inefficiencies of DPSGD. This paper seeks to operationalize ExpM for private optimization and ML by using an auxiliary Normalizing Flow (NF), an expressive deep network for density learning, to approximately sample from ExpM density. The method, ExpM+NF is an alternative to SGD methods for model training. We prove a sensitivity bound for the $\ell^2$ loss permitting ExpM use with any sampling method. To test feasibility, we present results on MIMIC-III health data comparing (non-private) SGD, DPSGD, and ExpM+NF training methods' accuracy and training time. We find that a model sampled from ExpM+NF is nearly as accurate as non-private SGD, more accurate than DPSGD, and ExpM+NF trains faster than Opacus' DPSGD implementation. Unable to provide a privacy proof for the NF approximation, we present empirical results to investigate privacy including the LiRA membership inference attack of Carlini et al. and the recent privacy auditing lower bound method of Steinke et al. Our findings suggest ExpM+NF provides more privacy than non-private SGD, but not as much as DPSGD, although many attacks are impotent against any model. Ancillary benefits of this work include pushing the SOTA of privacy and accuracy on MIMIC-III healthcare data, exhibiting the use of ExpM+NF for Bayesian inference, showing the limitations of empirical privacy auditing in practice, and providing several privacy theorems applicable to distribution learning.
Authors: Wei Jiang, Zhuang Xiong, Feng Liu, Nan Ye, Hongfu Sun
Abstract: Supervised deep learning methods have shown promise in undersampled Magnetic Resonance Imaging (MRI) reconstruction, but their requirement for paired data limits their generalizability to the diverse MRI acquisition parameters. Recently, unsupervised controllable generative diffusion models have been applied to undersampled MRI reconstruction, without paired data or model retraining for different MRI acquisitions. However, diffusion models are generally slow in sampling and state-of-the-art acceleration techniques can lead to sub-optimal results when directly applied to the controllable generation process. This study introduces a new algorithm called Predictor-Projector-Noisor (PPN), which enhances and accelerates controllable generation of diffusion models for undersampled MRI reconstruction. Our results demonstrate that PPN produces high-fidelity MR images that conform to undersampled k-space measurements with significantly shorter reconstruction time than other controllable sampling methods. In addition, the unsupervised PPN accelerated diffusion models are adaptable to different MRI acquisition parameters, making them more practical for clinical use than supervised learning techniques.
Authors: Jan Zah\'alka
Abstract: Adversarial attacks are an important security concern for computer vision (CV). As CV models are becoming increasingly valuable assets in applied practice, disrupting them is emerging as a form of economic sabotage. This paper opens up the exploration of damaging adversarial attacks (DAAs) that seek to damage target CV models. DAAs are formalized by defining the threat model, the cost function DAAs maximize, and setting three requirements for success: potency, stealth, and customizability. As a pioneer DAA, this paper proposes Trainwreck, a train-time attack that conflates the data of similar classes in the training data using stealthy ($\epsilon \leq 8/255$) class-pair universal perturbations obtained from a surrogate model. Trainwreck is a black-box, transferable attack: it requires no knowledge of the target architecture, and a single poisoned dataset degrades the performance of any model trained on it. The experimental evaluation on CIFAR-10 and CIFAR-100 and various model architectures (EfficientNetV2, ResNeXt-101, and a finetuned ViT-L-16) demonstrates Trainwreck's efficiency. Trainwreck achieves similar or better potency compared to the data poisoning state of the art and is fully customizable by the poison rate parameter. Finally, data redundancy with hashing is identified as a reliable defense against Trainwreck or similar DAAs. The code is available at https://github.com/JanZahalka/trainwreck.
Authors: Gege Gao, Weiyang Liu, Anpei Chen, Andreas Geiger, Bernhard Sch\"olkopf
Abstract: As pretrained text-to-image diffusion models become increasingly powerful, recent efforts have been made to distill knowledge from these text-to-image pretrained models for optimizing a text-guided 3D model. Most of the existing methods generate a holistic 3D model from a plain text input. This can be problematic when the text describes a complex scene with multiple objects, because the vectorized text embeddings are inherently unable to capture a complex description with multiple entities and relationships. Holistic 3D modeling of the entire scene further prevents accurate grounding of text entities and concepts. To address this limitation, we propose GraphDreamer, a novel framework to generate compositional 3D scenes from scene graphs, where objects are represented as nodes and their interactions as edges. By exploiting node and edge information in scene graphs, our method makes better use of the pretrained text-to-image diffusion model and is able to fully disentangle different objects without image-level supervision. To facilitate modeling of object-wise relationships, we use signed distance fields as representation and impose a constraint to avoid inter-penetration of objects. To avoid manual scene graph creation, we design a text prompt for ChatGPT to generate scene graphs based on text inputs. We conduct both qualitative and quantitative experiments to validate the effectiveness of GraphDreamer in generating high-fidelity compositional 3D scenes with disentangled object entities.
Authors: R\'emi Munos, Michal Valko, Daniele Calandriello, Mohammad Gheshlaghi Azar, Mark Rowland, Zhaohan Daniel Guo, Yunhao Tang, Matthieu Geist, Thomas Mesnard, Andrea Michi, Marco Selvi, Sertan Girgin, Nikola Momchev, Olivier Bachem, Daniel J. Mankowitz, Doina Precup, Bilal Piot
Abstract: Reinforcement learning from human feedback (RLHF) has emerged as the main paradigm for aligning large language models (LLMs) with human preferences. Typically, RLHF involves the initial step of learning a reward model from human feedback, often expressed as preferences between pairs of text generations produced by a pre-trained LLM. Subsequently, the LLM's policy is fine-tuned by optimizing it to maximize the reward model through a reinforcement learning algorithm. However, an inherent limitation of current reward models is their inability to fully represent the richness of human preferences and their dependency on the sampling distribution. In this study, we introduce an alternative pipeline for the fine-tuning of LLMs using pairwise human feedback. Our approach entails the initial learning of a preference model, which is conditioned on two inputs given a prompt, followed by the pursuit of a policy that consistently generates responses preferred over those generated by any competing policy, thus defining the Nash equilibrium of this preference model. We term this approach Nash learning from human feedback (NLHF). In the context of a tabular policy representation, we present a novel algorithmic solution, Nash-MD, founded on the principles of mirror descent. This algorithm produces a sequence of policies, with the last iteration converging to the regularized Nash equilibrium. Additionally, we explore parametric representations of policies and introduce gradient descent algorithms for deep-learning architectures. To demonstrate the effectiveness of our approach, we present experimental results involving the fine-tuning of a LLM for a text summarization task. We believe NLHF offers a compelling avenue for preference learning and policy optimization with the potential of advancing the field of aligning LLMs with human preferences.
Authors: Ulyana Piterbarg, Lerrel Pinto, Rob Fergus
Abstract: Neural Language Models (LMs) offer an exciting solution for general-purpose embodied control. However, a key technical issue arises when using an LM-based controller: environment observations must be converted to text, which coupled with history, results in long and verbose textual prompts. As a result, prior work in LM agents is limited to restricted domains with small observation size as well as minimal needs for interaction history or instruction tuning. In this paper, we introduce diff history, a simple and highly effective solution to these issues. By applying the Unix diff command on consecutive text observations in the interaction histories used to prompt LM policies, we can both abstract away redundant information and focus the content of textual inputs on the salient changes in the environment. On NetHack, an unsolved video game that requires long-horizon reasoning for decision-making, LMs tuned with diff history match state-of-the-art performance for neural agents while needing 1800x fewer training examples compared to prior work. Even on the simpler BabyAI-Text environment with concise text observations, we find that although diff history increases the length of prompts, the representation it provides offers a 25% improvement in the efficiency of low-sample instruction tuning. Further, we show that diff history scales favorably across different tuning dataset sizes. We open-source our code and data to https://diffhistory.github.io.
Authors: Nathan Mankovich, Gustau Camps-Valls, Tolga Birdal
Abstract: Principal component analysis (PCA), along with its extensions to manifolds and outlier contaminated data, have been indispensable in computer vision and machine learning. In this work, we present a unifying formalism for PCA and its variants, and introduce a framework based on the flags of linear subspaces, ie a hierarchy of nested linear subspaces of increasing dimension, which not only allows for a common implementation but also yields novel variants, not explored previously. We begin by generalizing traditional PCA methods that either maximize variance or minimize reconstruction error. We expand these interpretations to develop a wide array of new dimensionality reduction algorithms by accounting for outliers and the data manifold. To devise a common computational approach, we recast robust and dual forms of PCA as optimization problems on flag manifolds. We then integrate tangent space approximations of principal geodesic analysis (tangent-PCA) into this flag-based framework, creating novel robust and dual geodesic PCA variations. The remarkable flexibility offered by the 'flagification' introduced here enables even more algorithmic variants identified by specific flag types. Last but not least, we propose an effective convergent solver for these flag-formulations employing the Stiefel manifold. Our empirical results on both real-world and synthetic scenarios, demonstrate the superiority of our novel algorithms, especially in terms of robustness to outliers on manifolds.
Authors: Jonas Dippel, Barbara Feulner, Tobias Winterhoff, Timo Milbich, Stephan Tietz, Simon Schallenberg, Gabriel Dernbach, Andreas Kunft, Simon Heinke, Marie-Lisa Eich, Julika Ribbat-Idel, Rosemarie Krupar, Philipp Anders, Niklas Preni{\ss}l, Philipp Jurmeister, David Horst, Lukas Ruff, Klaus-Robert M\"uller, Frederick Klauschen, Maximilian Alber
Abstract: Artificial intelligence has started to transform histopathology impacting clinical diagnostics and biomedical research. However, while many computational pathology approaches have been proposed, most current AI models are limited with respect to generalization, application variety, and handling rare diseases. Recent efforts introduced self-supervised foundation models to address these challenges, yet existing approaches do not leverage pathologist knowledge by design. In this study, we present a novel approach to designing foundation models for computational pathology, incorporating pathologist expertise, semi-automated data curation, and a diverse dataset from over 15 laboratories, including 58 tissue types, and encompassing 129 different histochemical and immunohistochemical staining modalities. We demonstrate that our model "RudolfV" surpasses existing state-of-the-art foundation models across different benchmarks focused on tumor microenvironment profiling, biomarker evaluation, and reference case search while exhibiting favorable robustness properties. Our study shows how domain-specific knowledge can increase the efficiency and performance of pathology foundation models and enable novel application areas.
Authors: Anh Dang, Reza Babanezhad, Sharan Vaswani
Abstract: Stochastic heavy ball momentum (SHB) is commonly used to train machine learning models, and often provides empirical improvements over stochastic gradient descent. By primarily focusing on strongly-convex quadratics, we aim to better understand the theoretical advantage of SHB and subsequently improve the method. For strongly-convex quadratics, Kidambi et al. (2018) show that SHB (with a mini-batch of size $1$) cannot attain accelerated convergence, and hence has no theoretical benefit over SGD. They conjecture that the practical gain of SHB is a by-product of using larger mini-batches. We first substantiate this claim by showing that SHB can attain an accelerated rate when the mini-batch size is larger than a threshold $b^*$ that depends on the condition number $\kappa$. Specifically, we prove that with the same step-size and momentum parameters as in the deterministic setting, SHB with a sufficiently large mini-batch size results in an $O\left(\exp(-\frac{T}{\sqrt{\kappa}}) + \sigma \right)$ convergence, where $T$ is the number of iterations and $\sigma^2$ is the variance in the stochastic gradients. We prove a lower-bound which demonstrates that a $\kappa$ dependence in $b^*$ is necessary. To ensure convergence to the minimizer, we design a noise-adaptive multi-stage algorithm that results in an $O\left(\exp\left(-\frac{T}{\sqrt{\kappa}}\right) + \frac{\sigma}{T}\right)$ rate. We also consider the general smooth, strongly-convex setting and propose the first noise-adaptive SHB variant that converges to the minimizer at an $O(\exp(-\frac{T}{\kappa}) + \frac{\sigma^2}{T})$ rate. We empirically demonstrate the effectiveness of the proposed algorithms.
Authors: Zeping Yu, Sophia Ananiadou
Abstract: We investigate the mechanism of in-context learning (ICL) on sentence classification tasks with semantically-unrelated labels ("foo"/"bar"). We find intervening in only 1\% heads (named "in-context heads") significantly affects ICL accuracy from 87.6\% to 24.4\%. To understand this phenomenon, we analyze the value-output vectors in these heads and discover that the vectors at each label position contain substantial information about the corresponding labels. Furthermore, we observe that the prediction shift from "foo" to "bar" is due to the respective reduction and increase in these heads' attention scores at "foo" and "bar" positions. Therefore, we propose a hypothesis for ICL: in in-context heads, the value-output matrices extract label features, while the query-key matrices compute the similarity between the features at the last position and those at each label position. The query and key matrices can be considered as two towers that learn the similarity metric between the last position's features and each demonstration at label positions. Using this hypothesis, we explain the majority label bias and recency bias in ICL and propose two methods to reduce these biases by 22\% and 17\%, respectively.
Authors: Francesca Ronchini, Luca Comanducci, Mirco Pezzoli, Fabio Antonacci, Augusto Sarti
Abstract: Reconstructing the room transfer functions needed to calculate the complex sound field in a room has several important real-world applications. However, an unpractical number of microphones is often required. Recently, in addition to classical signal processing methods, deep learning techniques have been applied to reconstruct the room transfer function starting from a very limited set of measurements at scattered points in the room. In this paper, we employ complex-valued neural networks to estimate room transfer functions in the frequency range of the first room resonances, using a few irregularly distributed microphones. To the best of our knowledge, this is the first time that complex-valued neural networks are used to estimate room transfer functions. To analyze the benefits of applying complex-valued optimization to the considered task, we compare the proposed technique with a state-of-the-art kernel-based signal processing approach for sound field reconstruction, showing that the proposed technique exhibits relevant advantages in terms of phase accuracy and overall quality of the reconstructed sound field. For informative purposes, we also compare the model with a similarly-structured data-driven approach that, however, applies a real-valued neural network to reconstruct only the magnitude of the sound field.
Authors: Shengxiang Hu, Guobing Zou, Song Yang, Yanglan Gan, Bofeng Zhang, Yixin Chen
Abstract: In service-oriented architectures, accurately predicting the Quality of Service (QoS) is crucial for maintaining reliability and enhancing user satisfaction. However, significant challenges remain due to existing methods always overlooking high-order latent collaborative relationships between users and services and failing to dynamically adjust feature learning for every specific user-service invocation, which are critical for learning accurate features. Additionally, reliance on RNNs for capturing QoS evolution hampers models' ability to detect long-term trends due to difficulties in managing long-range dependencies. To address these challenges, we propose the \underline{T}arget-Prompt \underline{O}nline \underline{G}raph \underline{C}ollaborative \underline{L}earning (TOGCL) framework for temporal-aware QoS prediction. TOGCL leverages a dynamic user-service invocation graph to model historical interactions, providing a comprehensive representation of user-service relationships. Building on this graph, it develops a target-prompt graph attention network to extract online deep latent features of users and services at each time slice, simultaneously considering implicit collaborative relationships between target users/services and their neighbors, as well as relevant historical QoS values. Additionally, a multi-layer Transformer encoder is employed to uncover temporal feature evolution patterns of users and services, leading to temporal-aware QoS prediction. Extensive experiments conducted on the WS-DREAM dataset demonstrate that our proposed TOGCL framework significantly outperforms state-of-the-art methods across multiple metrics, achieving improvements of up to 38.80\%. These results underscore the effectiveness of the TOGCL framework for precise temporal QoS prediction.
Authors: Tao Lin, Yiling Chen
Abstract: Generalized principal-agent problems, including Stackelberg games, contract design, and Bayesian persuasion, are a class of economic problems where an agent best responds to a principal's committed strategy. We study repeated generalized principal-agent problems under the assumption that the principal does not have commitment power and the agent uses algorithms to learn to respond to the principal. We reduce this problem to a one-shot generalized principal-agent problem with an approximately-best-responding agent. Using this reduction, we show that: (1) if the agent uses contextual no-regret learning algorithms, then the principal can guarantee a utility that is at least the principal's optimal utility in the classic non-learning model minus the square root of the agent's regret; (2) if the agent uses contextual no-swap-regret learning algorithms, then the principal cannot obtain any utility more than the optimal utility in the non-learning model plus the agent's swap regret. But (3) if the agent uses mean-based learning algorithms (which can be no-regret but not no-swap-regret), then the principal can do significantly better than the non-learning model. These general results not only refine previous results in Stackelberg games and contract design with learning agents but also lead to new results for Bayesian persuasion with a learning agent.
Authors: Johnny Tian-Zheng Wei, Ryan Yixiang Wang, Robin Jia
Abstract: Detecting whether copyright holders' works were used in LLM pretraining is poised to be an important problem. This work proposes using data watermarks to enable principled detection with only black-box model access, provided that the rightholder contributed multiple training documents and watermarked them before public release. By applying a randomly sampled data watermark, detection can be framed as hypothesis testing, which provides guarantees on the false detection rate. We study two watermarks: one that inserts random sequences, and another that randomly substitutes characters with Unicode lookalikes. We first show how three aspects of watermark design -- watermark length, number of duplications, and interference -- affect the power of the hypothesis test. Next, we study how a watermark's detection strength changes under model and dataset scaling: while increasing the dataset size decreases the strength of the watermark, watermarks remain strong if the model size also increases. Finally, we view SHA hashes as natural watermarks and show that we can robustly detect hashes from BLOOM-176B's training data, as long as they occurred at least 90 times. Together, our results point towards a promising future for data watermarks in real world use.
Authors: Jianhong Wang, Yang Li, Yuan Zhang, Wei Pan, Samuel Kaski
Abstract: Ad hoc teamwork poses a challenging problem, requiring the design of an agent to collaborate with teammates without prior coordination or joint training. Open ad hoc teamwork (OAHT) further complicates this challenge by considering environments with a changing number of teammates, referred to as open teams. One promising solution in practice to this problem is leveraging the generalizability of graph neural networks to handle an unrestricted number of agents with various agent-types, named graph-based policy learning (GPL). However, its joint Q-value representation over a coordination graph lacks convincing explanations. In this paper, we establish a new theory to understand the representation of the joint Q-value for OAHT and its learning paradigm, through the lens of cooperative game theory. Building on our theory, we propose a novel algorithm named CIAO, based on GPL's framework, with additional provable implementation tricks that can facilitate learning. The demos of experimental results are available on https://sites.google.com/view/ciao2024, and the code of experiments is published on https://github.com/hsvgbkhgbv/CIAO.
URLs: https://sites.google.com/view/ciao2024,, https://github.com/hsvgbkhgbv/CIAO.
Authors: Rong Jiang, Cong Ma
Abstract: We study nonparametric contextual bandits under batch constraints, where the expected reward for each action is modeled as a smooth function of covariates, and the policy updates are made at the end of each batch of observations. We establish a minimax regret lower bound for this setting and propose a novel batch learning algorithm that achieves the optimal regret (up to logarithmic factors). In essence, our procedure dynamically splits the covariate space into smaller bins, carefully aligning their widths with the batch size. Our theoretical results suggest that for nonparametric contextual bandits, a nearly constant number of policy updates can attain optimal regret in the fully online setting.
Authors: Susobhan Ghosh, Yongyi Guo, Pei-Yao Hung, Lara Coughlin, Erin Bonar, Inbal Nahum-Shani, Maureen Walton, Susan Murphy
Abstract: The escalating prevalence of cannabis use, and associated cannabis-use disorder (CUD), poses a significant public health challenge globally. With a notably wide treatment gap, especially among emerging adults (EAs; ages 18-25), addressing cannabis use and CUD remains a pivotal objective within the 2030 United Nations Agenda for Sustainable Development Goals (SDG). In this work, we develop an online reinforcement learning (RL) algorithm called reBandit which will be utilized in a mobile health study to deliver personalized mobile health interventions aimed at reducing cannabis use among EAs. reBandit utilizes random effects and informative Bayesian priors to learn quickly and efficiently in noisy mobile health environments. Moreover, reBandit employs Empirical Bayes and optimization techniques to autonomously update its hyper-parameters online. To evaluate the performance of our algorithm, we construct a simulation testbed using data from a prior study, and compare against commonly used algorithms in mobile health studies. We show that reBandit performs equally well or better than all the baseline algorithms, and the performance gap widens as population heterogeneity increases in the simulation environment, proving its adeptness to adapt to diverse population of study participants.
Authors: Arun Jambulapati, Syamantak Kumar, Jerry Li, Shourya Pandey, Ankit Pensia, Kevin Tian
Abstract: The $k$-principal component analysis ($k$-PCA) problem is a fundamental algorithmic primitive that is widely-used in data analysis and dimensionality reduction applications. In statistical settings, the goal of $k$-PCA is to identify a top eigenspace of the covariance matrix of a distribution, which we only have black-box access to via samples. Motivated by these settings, we analyze black-box deflation methods as a framework for designing $k$-PCA algorithms, where we model access to the unknown target matrix via a black-box $1$-PCA oracle which returns an approximate top eigenvector, under two popular notions of approximation. Despite being arguably the most natural reduction-based approach to $k$-PCA algorithm design, such black-box methods, which recursively call a $1$-PCA oracle $k$ times, were previously poorly-understood. Our main contribution is significantly sharper bounds on the approximation parameter degradation of deflation methods for $k$-PCA. For a quadratic form notion of approximation we term ePCA (energy PCA), we show deflation methods suffer no parameter loss. For an alternative well-studied approximation notion we term cPCA (correlation PCA), we tightly characterize the parameter regimes where deflation methods are feasible. Moreover, we show that in all feasible regimes, $k$-cPCA deflation algorithms suffer no asymptotic parameter loss for any constant $k$. We apply our framework to obtain state-of-the-art $k$-PCA algorithms robust to dataset contamination, improving prior work in sample complexity by a $\mathsf{poly}(k)$ factor.
Authors: Yao Jiang, Xinyu Yan, Ge-Peng Ji, Keren Fu, Meijun Sun, Huan Xiong, Deng-Ping Fan, Fahad Shahbaz Khan
Abstract: The advent of large vision-language models (LVLMs) represents a remarkable advance in the quest for artificial general intelligence. However, the model's effectiveness in both specialized and general tasks warrants further investigation. This paper endeavors to evaluate the competency of popular LVLMs in specialized and general tasks, respectively, aiming to offer a comprehensive understanding of these novel models. To gauge their effectiveness in specialized tasks, we employ six challenging tasks in three different application scenarios: natural, healthcare, and industrial. These six tasks include salient/camouflaged/transparent object detection, as well as polyp detection, skin lesion detection, and industrial anomaly detection. We examine the performance of three recent open-source LVLMs, including MiniGPT-v2, LLaVA-1.5, and Shikra, on both visual recognition and localization in these tasks. Moreover, we conduct empirical investigations utilizing the aforementioned LVLMs together with GPT-4V, assessing their multi-modal understanding capabilities in general tasks including object counting, absurd question answering, affordance reasoning, attribute recognition, and spatial relation reasoning. Our investigations reveal that these LVLMs demonstrate limited proficiency not only in specialized tasks but also in general tasks. We delve deep into this inadequacy and uncover several potential factors, including limited cognition in specialized tasks, object hallucination, text-to-image interference, and decreased robustness in complex problems. We hope that this study can provide useful insights for the future development of LVLMs, helping researchers improve LVLMs for both general and specialized applications.
Authors: Jan Schuchardt, Mihail Stoian, Arthur Kosmala, Stephan G\"unnemann
Abstract: Amplification by subsampling is one of the main primitives in machine learning with differential privacy (DP): Training a model on random batches instead of complete datasets results in stronger privacy. This is traditionally formalized via mechanism-agnostic subsampling guarantees that express the privacy parameters of a subsampled mechanism as a function of the original mechanism's privacy parameters. We propose the first general framework for deriving mechanism-specific guarantees, which leverage additional information beyond these parameters to more tightly characterize the subsampled mechanism's privacy. Such guarantees are of particular importance for privacy accounting, i.e., tracking privacy over multiple iterations. Overall, our framework based on conditional optimal transport lets us derive existing and novel guarantees for approximate DP, accounting with R\'enyi DP, and accounting with dominating pairs in a unified, principled manner. As an application, we analyze how subsampling affects the privacy of groups of multiple users. Our tight mechanism-specific bounds outperform tight mechanism-agnostic bounds and classic group privacy results.
Authors: MoonJeong Park, Jaeseung Heo, Dongwoo Kim
Abstract: Graph Neural Network (GNN) resembles the diffusion process, leading to the over-smoothing of learned representations when stacking many layers. Hence, the reverse process of message passing can produce the distinguishable node representations by inverting the forward message propagation. The distinguishable representations can help us to better classify neighboring nodes with different labels, such as in heterophilic graphs. In this work, we apply the design principle of the reverse process to the three variants of the GNNs. Through the experiments on heterophilic graph data, where adjacent nodes need to have different representations for successful classification, we show that the reverse process significantly improves the prediction performance in many cases. Additional analysis reveals that the reverse mechanism can mitigate the over-smoothing over hundreds of layers. Our code is available at https://github.com/ml-postech/reverse-gnn.
Authors: Mahdi Naseri, Jiayan Qiu, Zhou Wang
Abstract: In this paper, we investigate a novel artificial intelligence generation task, termed as generated contents enrichment (GCE). Different from conventional artificial intelligence contents generation task that enriches the given textual description implicitly with limited semantics for generating visually real content, our proposed GCE strives to perform content enrichment explicitly on both the visual and textual domain, from which the enriched contents are visually real, structurally reasonable, and semantically abundant. Towards to solve GCE, we propose a deep end-to-end method that explicitly explores the semantics and inter-semantic relationships during the enrichment. Specifically, we first model the input description as a semantic graph, wherein each node represents an object and each edge corresponds to the inter-object relationship. We then adopt Graph Convolutional Networks on top of the input scene description to predict the enriching objects and their relationships with the input objects. Finally, the enriched description is fed into an image synthesis model to carry out the visual contents generation. Our experiments conducted on the Visual Genome dataset exhibit promising and visually plausible results.
Authors: Bohdan Petryshyn, Mantas Luko\v{s}evi\v{c}ius
Abstract: Recent advancements in Large Language Models (LLMs) and their utilization in code generation tasks have significantly reshaped the field of software development. Despite the remarkable efficacy of code completion solutions in mainstream programming languages, their performance lags when applied to less ubiquitous formats such as OpenAPI definitions. This study evaluates the OpenAPI completion performance of GitHub Copilot, a prevalent commercial code completion tool, and proposes a set of task-specific optimizations leveraging Meta's open-source model Code Llama. A semantics-aware OpenAPI completion benchmark proposed in this research is used to perform a series of experiments through which the impact of various prompt-engineering and fine-tuning techniques on the Code Llama model's performance is analyzed. The fine-tuned Code Llama model reaches a peak correctness improvement of 55.2% over GitHub Copilot despite utilizing 25 times fewer parameters than the commercial solution's underlying Codex model. Additionally, this research proposes an enhancement to a widely used code infilling training technique, addressing the issue of underperformance when the model is prompted with context sizes smaller than those used during training. The dataset, the benchmark, and the model fine-tuning code are made publicly available.
Authors: Hao Yu, Minghao Fu, Jiandong Ding, Yusheng Zhou, Jianxin Wu
Abstract: Deep Click-Through Rate (CTR) prediction models play an important role in modern industrial recommendation scenarios. However, high memory overhead and computational costs limit their deployment in resource-constrained environments. Low-rank approximation is an effective method for computer vision and natural language processing models, but its application in compressing CTR prediction models has been less explored. Due to the limited memory and computing resources, compression of CTR prediction models often confronts three fundamental challenges, i.e., (1). How to reduce the model sizes to adapt to edge devices? (2). How to speed up CTR prediction model inference? (3). How to retain the capabilities of original models after compression? Previous low-rank compression research mostly uses tensor decomposition, which can achieve a high parameter compression ratio, but brings in AUC degradation and additional computing overhead. To address these challenges, we propose a unified low-rank decomposition framework for compressing CTR prediction models. We find that even with the most classic matrix decomposition SVD method, our framework can achieve better performance than the original model. To further improve the effectiveness of our framework, we locally compress the output features instead of compressing the model weights. Our unified low-rank compression framework can be applied to embedding tables and MLP layers in various CTR prediction models. Extensive experiments on two academic datasets and one real industrial benchmark demonstrate that, with 3-5x model size reduction, our compressed models can achieve both faster inference and higher AUC than the uncompressed original models. Our code is at https://github.com/yuhao318/Atomic_Feature_Mimicking.
Authors: Koichi Saito, Dongjun Kim, Takashi Shibuya, Chieh-Hsin Lai, Zhi Zhong, Yuhta Takida, Yuki Mitsufuji
Abstract: Sound content is an indispensable element for multimedia works such as video games, music, and films. Recent high-quality diffusion-based sound generation models can serve as valuable tools for the creators. However, despite producing high-quality sounds, these models often suffer from slow inference speeds. This drawback burdens creators, who typically refine their sounds through trial and error to align them with their artistic intentions. To address this issue, we introduce Sound Consistency Trajectory Models (SoundCTM). Our model enables flexible transitioning between high-quality 1-step sound generation and superior sound quality through multi-step generation. This allows creators to initially control sounds with 1-step samples before refining them through multi-step generation. While CTM fundamentally achieves flexible 1-step and multi-step generation, its impressive performance heavily depends on an additional pretrained feature extractor and an adversarial loss, which are expensive to train and not always available in other domains. Thus, we reframe CTM's training framework and introduce a novel feature distance by utilizing the teacher's network for a distillation loss. Additionally, while distilling classifier-free guided trajectories, we train conditional and unconditional student models simultaneously and interpolate between these models during inference. We also propose training-free controllable frameworks for SoundCTM, leveraging its flexible sampling capability. SoundCTM achieves both promising 1-step and multi-step real-time sound generation without using any extra off-the-shelf networks. Furthermore, we demonstrate SoundCTM's capability of controllable sound generation in a training-free manner. Our codes, pretrained models, and audio samples are available at https://github.com/sony/soundctm.
Authors: Tong Chen, Danny Wang, Xurong Liang, Marten Risius, Gianluca Demartini, Hongzhi Yin
Abstract: To counter the side effect brought by the proliferation of social media platforms, hate speech detection (HSD) plays a vital role in halting the dissemination of toxic online posts at an early stage. However, given the ubiquitous topical communities on social media, a trained HSD classifier easily becomes biased towards specific targeted groups (e.g., female and black people), where a high rate of false positive/negative results can significantly impair public trust in the fairness of content moderation mechanisms, and eventually harm the diversity of online society. Although existing fairness-aware HSD methods can smooth out some discrepancies across targeted groups, they are mostly specific to a narrow selection of targets that are assumed to be known and fixed. This inevitably prevents those methods from generalizing to real-world use cases where new targeted groups constantly emerge over time. To tackle this defect, we propose Generalizable target-aware Fairness (GetFair), a new method for fairly classifying each post that contains diverse and even unseen targets during inference. To remove the HSD classifier's spurious dependence on target-related features, GetFair trains a series of filter functions in an adversarial pipeline, so as to deceive the discriminator that recovers the targeted group from filtered post embeddings. To maintain scalability and generalizability, we innovatively parameterize all filter functions via a hypernetwork that is regularized by the semantic affinity among targets. Taking a target's pretrained word embedding as input, the hypernetwork generates the weights used by each target-specific filter on-the-fly without storing dedicated filter parameters. Finally, comparative experiments on two HSD datasets have shown advantageous performance of GetFair on out-of-sample targets.
Authors: Shunxing Fan, Mingming Gong, Kun Zhang
Abstract: We consider the effect of temporal aggregation on instantaneous (non-temporal) causal discovery in general setting. This is motivated by the observation that the true causal time lag is often considerably shorter than the observational interval. This discrepancy leads to high aggregation, causing time-delay causality to vanish and instantaneous dependence to manifest. Although we expect such instantaneous dependence has consistency with the true causal relation in certain sense to make the discovery results meaningful, it remains unclear what type of consistency we need and when will such consistency be satisfied. We proposed functional consistency and conditional independence consistency in formal way correspond functional causal model-based methods and conditional independence-based methods respectively and provide the conditions under which these consistencies will hold. We show theoretically and experimentally that causal discovery results may be seriously distorted by aggregation especially in complete nonlinear case and we also find causal relationship still recoverable from aggregated data if we have partial linearity or appropriate prior. Our findings suggest community should take a cautious and meticulous approach when interpreting causal discovery results from such data and show why and when aggregation will distort the performance of causal discovery methods.
Authors: Yuchen Zhuang, Haotian Sun, Yue Yu, Rushi Qiang, Qifan Wang, Chao Zhang, Bo Dai
Abstract: Personalization has emerged as a critical research area in modern intelligent systems, focusing on mining users' behavioral history and adapting to their preferences for delivering tailored experiences. Despite the remarkable few-shot capabilities exhibited by black-box large language models (LLMs), the inherent opacity of their model parameters presents significant challenges in aligning the generated output with individual expectations. Existing solutions have primarily focused on prompt design to incorporate user-specific profiles and behaviors; however, such approaches often struggle to generalize effectively due to their inability to capture shared knowledge among all users. To address these challenges, we propose HYDRA, a model factorization framework that captures both user-specific behavior patterns from historical data and shared general knowledge among all users to deliver personalized generation. In order to capture user-specific behavior patterns, we first train a reranker to prioritize the most useful information from top-retrieved relevant historical records. By combining the prioritized history with the corresponding query, we train an adapter to align the output with individual user-specific preferences, eliminating the reliance on access to inherent model parameters of black-box LLMs. Both the reranker and the adapter can be decomposed into a base model with multiple user-specific heads, resembling a hydra. The base model maintains shared knowledge across users, while the multiple personal heads capture user-specific preferences. Experimental results demonstrate that HYDRA outperforms existing state-of-the-art prompt-based methods by an average relative improvement of 9.01% across five diverse personalization tasks in the LaMP benchmark. Our implementation is available at https://github.com/night-chen/HYDRA.
Authors: Zhong Meng, Zelin Wu, Rohit Prabhavalkar, Cal Peyser, Weiran Wang, Nanxin Chen, Tara N. Sainath, Bhuvana Ramabhadran
Abstract: Neural contextual biasing effectively improves automatic speech recognition (ASR) for crucial phrases within a speaker's context, particularly those that are infrequent in the training data. This work proposes contextual text injection (CTI) to enhance contextual ASR. CTI leverages not only the paired speech-text data, but also a much larger corpus of unpaired text to optimize the ASR model and its biasing component. Unpaired text is converted into speech-like representations and used to guide the model's attention towards relevant bias phrases. Moreover, we introduce a contextual text-injected (CTI) minimum word error rate (MWER) training, which minimizes the expected WER caused by contextual biasing when unpaired text is injected into the model. Experiments show that CTI with 100 billion text sentences can achieve up to 43.3% relative WER reduction from a strong neural biasing model. CTI-MWER provides a further relative improvement of 23.5%.
Authors: Qutub Syed Sha, Michael Paulitsch, Karthik Pattabiraman, Korbinian Hagn, Fabian Oboril, Cornelius Buerkle, Kay-Ulrich Scholl, Gereon Hinz, Alois Knoll
Abstract: As transformer-based object detection models progress, their impact in critical sectors like autonomous vehicles and aviation is expected to grow. Soft errors causing bit flips during inference have significantly impacted DNN performance, altering predictions. Traditional range restriction solutions for CNNs fall short for transformers. This study introduces the Global Clipper and Global Hybrid Clipper, effective mitigation strategies specifically designed for transformer-based models. It significantly enhances their resilience to soft errors and reduces faulty inferences to ~ 0\%. We also detail extensive testing across over 64 scenarios involving two transformer models (DINO-DETR and Lite-DETR) and two CNN models (YOLOv3 and SSD) using three datasets, totalling approximately 3.3 million inferences, to assess model robustness comprehensively. Moreover, the paper explores unique aspects of attention blocks in transformers and their operational differences from CNNs.
Authors: Wei Li, William Bishop, Alice Li, Chris Rawles, Folawiyo Campbell-Ajala, Divya Tyamagundlu, Oriana Riva
Abstract: Autonomous agents that control computer interfaces to accomplish human tasks are emerging. Leveraging LLMs to power such agents has been of special interest, but unless fine-tuned on human-collected task demonstrations, performance is still relatively low. In this work we study whether fine-tuning alone is a viable approach for building real-world computer control agents. In particularly, we investigate how performance measured on both high and low-level tasks in domain and out of domain scales as more training data is collected. To this end we collect and release a new dataset, AndroidControl, consisting of 15,283 demonstrations of everyday tasks with Android apps. Compared to existing datasets, each AndroidControl task instance includes both high and low-level human-generated instructions, allowing us to explore the level of task complexity an agent can handle. Moreover, AndroidControl is the most diverse computer control dataset to date, including 15,283 unique tasks over 833 Android apps, thus allowing us to conduct in-depth analysis of the model performance in and out of the domain of the training data. Using the dataset, we find that when tested in domain fine-tuned models outperform zero and few-shot baselines and scale in such a way that robust performance might feasibly be obtained simply by collecting more data. Out of domain, performance scales significantly more slowly and suggests that in particular for high-level tasks, fine-tuning on more data alone may be insufficient for achieving robust out-of-domain performance.
Authors: Daniel Yun
Abstract: In this paper, we introduce a novel method for merging the weights of multiple pre-trained neural networks using a genetic algorithm called MeGA. Traditional techniques, such as weight averaging and ensemble methods, often fail to fully harness the capabilities of pre-trained networks. Our approach leverages a genetic algorithm with tournament selection, crossover, and mutation to optimize weight combinations, creating a more effective fusion. This technique allows the merged model to inherit advantageous features from both parent models, resulting in enhanced accuracy and robustness. Through experiments on the CIFAR-10 dataset, we demonstrate that our genetic algorithm-based weight merging method improves test accuracy compared to individual models and conventional methods. This approach provides a scalable solution for integrating multiple pre-trained networks across various deep learning applications. Github is available at: https://github.com/YUNBLAK/MeGA-Merging-Multiple-Independently-Trained-Neural-Networks-Based-on-Genetic-Algorithm
Authors: Cong Zeng, Shengkun Tang, Xianjun Yang, Yuanzhou Chen, Yiyou Sun, zhiqiang xu, Yao Li, Haifeng Chen, Wei Cheng, Dongkuan Xu
Abstract: The advent of Large Language Models (LLMs) has revolutionized text generation, producing outputs that closely mimic human writing. This blurring of lines between machine- and human-written text presents new challenges in distinguishing one from the other a task further complicated by the frequent updates and closed nature of leading proprietary LLMs. Traditional logits-based detection methods leverage surrogate models for identifying LLM-generated content when the exact logits are unavailable from black-box LLMs. However, these methods grapple with the misalignment between the distributions of the surrogate and the often undisclosed target models, leading to performance degradation, particularly with the introduction of new, closed-source models. Furthermore, while current methodologies are generally effective when the source model is identified, they falter in scenarios where the model version remains unknown, or the test set comprises outputs from various source models. To address these limitations, we present Distribution-Aligned LLMs Detection (DALD), an innovative framework that redefines the state-of-the-art performance in black-box text detection even without logits from source LLMs. DALD is designed to align the surrogate model's distribution with that of unknown target LLMs, ensuring enhanced detection capability and resilience against rapid model iterations with minimal training investment. By leveraging corpus samples from publicly accessible outputs of advanced models such as ChatGPT, GPT-4 and Claude-3, DALD fine-tunes surrogate models to synchronize with unknown source model distributions effectively.
Authors: Bo Chen, Zhilei Bei, Xingyi Cheng, Pan Li, Jie Tang, Le Song
Abstract: Multiple Sequence Alignment (MSA) plays a pivotal role in unveiling the evolutionary trajectories of protein families. The accuracy of protein structure predictions is often compromised for protein sequences that lack sufficient homologous information to construct high quality MSA. Although various methods have been proposed to generate virtual MSA under these conditions, they fall short in comprehensively capturing the intricate coevolutionary patterns within MSA or require guidance from external oracle models. Here we introduce MSAGPT, a novel approach to prompt protein structure predictions via MSA generative pretraining in the low MSA regime. MSAGPT employs a simple yet effective 2D evolutionary positional encoding scheme to model complex evolutionary patterns. Endowed by this, its flexible 1D MSA decoding framework facilitates zero or few shot learning. Moreover, we demonstrate that leveraging the feedback from AlphaFold2 can further enhance the model capacity via Rejective Fine tuning (RFT) and Reinforcement Learning from AF2 Feedback (RLAF). Extensive experiments confirm the efficacy of MSAGPT in generating faithful virtual MSA to enhance the structure prediction accuracy. The transfer learning capabilities also highlight its great potential for facilitating other protein tasks.