Authors: Fanjin Wang, Maryam Parhizkar, Anthony Harker, Mohan Edirisinghe
Abstract: Polymeric nano- and micro-scale particles have critical roles in tackling critical healthcare and energy challenges with their miniature characteristics. However, tailoring their synthesis process to meet specific design targets has traditionally depended on domain expertise and costly trial-and-errors. Recently, modeling strategies, particularly Bayesian optimization (BO), have been proposed to aid materials discovery for maximized/minimized properties. Coming from practical demands, this study for the first time integrates constrained and composite Bayesian optimization (CCBO) to perform efficient target value optimization under black-box feasibility constraints and limited data for laboratory experimentation. Using a synthetic problem that simulates electrospraying, a model nanomanufacturing process, CCBO strategically avoided infeasible conditions and efficiently optimized particle production towards predefined size targets, surpassing standard BO pipelines and providing decisions comparable to human experts. Further laboratory experiments validated CCBO capability to guide the rational synthesis of poly(lactic-co-glycolic acid) (PLGA) particles with diameters of 300 nm and 3.0 $\mu$m via electrospraying. With minimal initial data and unknown experiment constraints, CCBO reached the design targets within 4 iterations. Overall, the CCBO approach presents a versatile and holistic optimization paradigm for next-generation target-driven particle synthesis empowered by artificial intelligence (AI).
Authors: Yang Gu, Hengyu You, Jian Cao, Muran Yu
Abstract: Building effective machine learning (ML) workflows to address complex tasks is a primary focus of the Automatic ML (AutoML) community and a critical step toward achieving artificial general intelligence (AGI). Recently, the integration of Large Language Models (LLMs) into ML workflows has shown great potential for automating and enhancing various stages of the ML pipeline. This survey provides a comprehensive and up-to-date review of recent advancements in using LLMs to construct and optimize ML workflows, focusing on key components encompassing data and feature engineering, model selection and hyperparameter optimization, and workflow evaluation. We discuss both the advantages and limitations of LLM-driven approaches, emphasizing their capacity to streamline and enhance ML workflow modeling process through language understanding, reasoning, interaction, and generation. Finally, we highlight open challenges and propose future research directions to advance the effective application of LLMs in ML workflows.
Authors: Aditi Jaiswal, Dennis P. Wall, Peter Washington
Abstract: Autism and Attention-Deficit Hyperactivity Disorder (ADHD) are two of the most commonly observed neurodevelopmental conditions in childhood. Providing a specific computational assessment to distinguish between the two can prove difficult and time intensive. Given the high prevalence of their co-occurrence, there is a need for scalable and accessible methods for distinguishing the co-occurrence of autism and ADHD from individual diagnoses. The first step is to identify a core set of features that can serve as the basis for behavioral feature extraction. We trained machine learning models on data from the National Survey of Children's Health to identify behaviors to target as features in automated clinical decision support systems. A model trained on the binary task of distinguishing either developmental delay (autism or ADHD) vs. neither achieved sensitivity >92% and specificity >94%, while a model trained on the 4-way classification task of autism vs. ADHD vs. both vs. none demonstrated >65% sensitivity and >66% specificity. While the performance of the binary model was respectable, the relatively low performance in the differential classification of autism and ADHD highlights the challenges that persist in achieving specificity within clinical decision support tools for developmental delays. Nevertheless, this study demonstrates the potential of applying behavioral questionnaires not traditionally used for clinical purposes towards supporting digital screening assessments for pediatric developmental delays.
Authors: Liwei Ni, Xinquan Li, Biwei Xie, Huawei Li
Abstract: Boolean circuit is a computational graph that consists of the dynamic directed graph structure and static functionality. The commonly used logic optimization and Boolean matching-based transformation can change the behavior of the Boolean circuit for its graph structure and functionality in logic synthesis. The graph structure-based Boolean circuit classification can be grouped into the graph classification task, however, the functionality-based Boolean circuit classification remains an open problem for further research. In this paper, we first define the proposed matching-equivalent class based on its ``Boolean-aware'' property. The Boolean circuits in the proposed class can be transformed into each other. Then, we present a commonly study framework based on graph neural network~(GNN) to analyze the key factors that can affect the Boolean-aware Boolean circuit classification. The empirical experiment results verify the proposed analysis, and it also shows the direction and opportunity to improve the proposed problem. The code and dataset will be released after acceptance.
Authors: Reyhaneh Taj
Abstract: Scientific machine learning (SciML) represents a significant advancement in integrating machine learning (ML) with scientific methodologies. At the forefront of this development are Physics-Informed Neural Networks (PINNs), which offer a promising approach by incorporating physical laws directly into the learning process, thereby reducing the need for extensive datasets. However, when data is limited or the system becomes more complex, PINNs can face challenges, such as instability and difficulty in accurately fitting the training data. In this article, we explore the capabilities and limitations of the DeepXDE framework, a tool specifically designed for implementing PINNs, in addressing both forward and inverse problems related to dielectric properties. Using RC circuit models to represent dielectric materials in HVDC systems, we demonstrate the effectiveness of PINNs in analyzing and improving system performance. Additionally, we show that applying a logarithmic transformation to the current (ln(I)) significantly enhances the stability and accuracy of PINN predictions, especially in challenging scenarios with sparse data or complex models. In inverse mode, however, we faced challenges in estimating key system parameters, such as resistance and capacitance, in more complex scenarios with longer time domains. This highlights the potential for future work in improving PINNs through transformations or other methods to enhance performance in inverse problems. This article provides pedagogical insights for those looking to use PINNs in both forward and inverse modes, particularly within the DeepXDE framework.
Authors: Selestine Melchane, Youssef Elmir, Farid Kacimi, Larbi Boubchir
Abstract: Artificial Intelligence (AI) and infectious diseases prediction have recently experienced a common development and advancement. Machine learning (ML) apparition, along with deep learning (DL) emergence, extended many approaches against diseases apparition and their spread. And despite their outstanding results in predicting infectious diseases, conflicts appeared regarding the types of data used and how they can be studied, analyzed, and exploited using various emerging methods. This has led to some ongoing discussions in the field. This research aims not only to provide an overview of what has been accomplished, but also to highlight the difficulties related to the types of data used, and the learning methods applied for each research objective. It categorizes these contributions into three areas: predictions using Public Health Data to prevent the spread of a transmissible disease within a region; predictions using Patients' Medical Data to detect whether a person is infected by a transmissible disease; and predictions using both Public and patient medical data to estimate the extent of disease spread in a population. The paper also critically assesses the potential of AI and outlines its limitations in infectious disease management.
Authors: Jian Guo, Saizhuo Wang, Yiyan Qi
Abstract: Multi-stage decision-making is crucial in various real-world artificial intelligence applications, including recommendation systems, autonomous driving, and quantitative investment systems. In quantitative investment, for example, the process typically involves several sequential stages such as factor mining, alpha prediction, portfolio optimization, and sometimes order execution. While state-of-the-art end-to-end modeling aims to unify these stages into a single global framework, it faces significant challenges: (1) training such a unified neural network consisting of multiple stages between initial inputs and final outputs often leads to suboptimal solutions, or even collapse, and (2) many decision-making scenarios are not easily reducible to standard prediction problems. To overcome these challenges, we propose Guided Learning, a novel methodological framework designed to enhance end-to-end learning in multi-stage decision-making. We introduce the concept of a ``guide'', a function that induces the training of intermediate neural network layers towards some phased goals, directing gradients away from suboptimal collapse. For decision scenarios lacking explicit supervisory labels, we incorporate a utility function that quantifies the ``reward'' of the throughout decision. Additionally, we explore the connections between Guided Learning and classic machine learning paradigms such as supervised, unsupervised, semi-supervised, multi-task, and reinforcement learning. Experiments on quantitative investment strategy building demonstrate that guided learning significantly outperforms both traditional stage-wise approaches and existing end-to-end methods.
Authors: Yao Lu, Peixin Zhang, Jingyi Wang, Lei Ma, Xiaoniu Yang, Qi Xuan
Abstract: Deep learning has revolutionized computing in many real-world applications, arguably due to its remarkable performance and extreme convenience as an end-to-end solution. However, deep learning models can be costly to train and to use, especially for those large-scale models, making it necessary to optimize the original overly complicated models into smaller ones in scenarios with limited resources such as mobile applications or simply for resource saving. The key question in such model optimization is, how can we effectively identify and measure the redundancy in a deep learning model structure. While several common metrics exist in the popular model optimization techniques to measure the performance of models after optimization, they are not able to quantitatively inform the degree of remaining redundancy. To address the problem, we present a novel testing approach, i.e., RedTest, which proposes a novel testing metric called Model Structural Redundancy Score (MSRS) to quantitatively measure the degree of redundancy in a deep learning model structure. We first show that MSRS is effective in both revealing and assessing the redundancy issues in many state-of-the-art models, which urgently calls for model optimization. Then, we utilize MSRS to assist deep learning model developers in two practical application scenarios: 1) in Neural Architecture Search, we design a novel redundancy-aware algorithm to guide the search for the optimal model structure and demonstrate its effectiveness by comparing it to existing standard NAS practice; 2) in the pruning of large-scale pre-trained models, we prune the redundant layers of pre-trained models with the guidance of layer similarity to derive less redundant ones of much smaller size. Extensive experimental results demonstrate that removing such redundancy has a negligible effect on the model utility.
Authors: Joseph Liu, Joshua Geddes, Ziyu Guo, Haomiao Jiang, Mahesh Kumar Nandwana
Abstract: Diffusion Transformers (DiT) have emerged as powerful generative models for various tasks, including image, video, and speech synthesis. However, their inference process remains computationally expensive due to the repeated evaluation of resource-intensive attention and feed-forward modules. To address this, we introduce SmoothCache, a model-agnostic inference acceleration technique for DiT architectures. SmoothCache leverages the observed high similarity between layer outputs across adjacent diffusion timesteps. By analyzing layer-wise representation errors from a small calibration set, SmoothCache adaptively caches and reuses key features during inference. Our experiments demonstrate that SmoothCache achieves 8% to 71% speed up while maintaining or even improving generation quality across diverse modalities. We showcase its effectiveness on DiT-XL for image generation, Open-Sora for text-to-video, and Stable Audio Open for text-to-audio, highlighting its potential to enable real-time applications and broaden the accessibility of powerful DiT models.
Authors: Haonan Duan, Adam Dziedzic, Mohammad Yaghini, Nicolas Papernot, Franziska Boenisch
Abstract: Large language models (LLMs) are excellent few-shot learners. They can perform a wide variety of tasks purely based on natural language prompts provided to them. These prompts contain data of a specific downstream task -- often the private dataset of a party, e.g., a company that wants to leverage the LLM for their purposes. We show that deploying prompted models presents a significant privacy risk for the data used within the prompt by instantiating a highly effective membership inference attack. We also observe that the privacy risk of prompted models exceeds fine-tuned models at the same utility levels. After identifying the model's sensitivity to their prompts -- in the form of a significantly higher prediction confidence on the prompted data -- as a cause for the increased risk, we propose ensembling as a mitigation strategy. By aggregating over multiple different versions of a prompted model, membership inference risk can be decreased.
Authors: Priyansh Bhatnagar, Linfeng Wen, Mingu Kang
Abstract: Extensive efforts have been made to boost the performance in the domain of language models by introducing various attention-based transformers. However, the inclusion of linear layers with large dimensions contributes to significant computational and memory overheads. The escalating computational demands of these models necessitate the development of various compression techniques to ensure their deployment on devices, particularly in resource-constrained environments. In this paper, we propose a novel compression methodology that dynamically determines the rank of each layer using a soft thresholding mechanism, which clips the singular values with a small magnitude in a differentiable form. This approach automates the decision-making process to identify the optimal degree of compression for each layer. We have successfully applied the proposed technique to attention-based architectures, including BERT for discriminative tasks and GPT2 and TinyLlama for generative tasks. Additionally, we have validated our method on Mamba, a recently proposed state-space model. Our experiments demonstrate that the proposed technique achieves a speed-up of 1.33X to 1.72X in the encoder/ decoder with a 50% reduction in total parameters.
Authors: Ankita Agarwal, Tanvi Banerjee, William Romine, Mia Cajita
Abstract: Artificial intelligence based predictive models trained on the clinical notes can be demographically biased. This could lead to adverse healthcare disparities in predicting outcomes like length of stay of the patients. Thus, it is necessary to mitigate the demographic biases within these models. We proposed an implicit in-processing debiasing method to combat disparate treatment which occurs when the machine learning model predict different outcomes for individuals based on the sensitive attributes like gender, ethnicity, race, and likewise. For this purpose, we used clinical notes of heart failure patients and used diagnostic codes, procedure reports and physiological vitals of the patients. We used Clinical BERT to obtain feature embeddings within the diagnostic codes and procedure reports, and LSTM autoencoders to obtain feature embeddings within the physiological vitals. Then, we trained two separate deep learning contrastive learning frameworks, one for gender and the other for ethnicity to obtain debiased representations within those demographic traits. We called this debiasing framework Debias-CLR. We leveraged clinical phenotypes of the patients identified in the diagnostic codes and procedure reports in the previous study to measure fairness statistically. We found that Debias-CLR was able to reduce the Single-Category Word Embedding Association Test (SC-WEAT) effect size score when debiasing for gender and ethnicity. We further found that to obtain fair representations in the embedding space using Debias-CLR, the accuracy of the predictive models on downstream tasks like predicting length of stay of the patients did not get reduced as compared to using the un-debiased counterparts for training the predictive models. Hence, we conclude that our proposed approach, Debias-CLR is fair and representative in mitigating demographic biases and can reduce health disparities.
Authors: Amrit Khera, Rajat Ghosh, Debojyoti Dutta
Abstract: LLM alignment ensures that large language models behave safely and effectively by aligning their outputs with human values, goals, and intentions. Aligning LLMs employ huge amounts of data, computation, and time. Moreover, curating data with human feedback is expensive and takes time. Recent research depicts the benefit of data engineering in the fine-tuning and pre-training paradigms to bring down such costs. However, alignment differs from the afore-mentioned paradigms and it is unclear if data efficient alignment is feasible. In this work, we first aim to understand how the performance of LLM alignment scales with data. We find out that LLM alignment performance follows an exponential plateau pattern which tapers off post a rapid initial increase. Based on this, we identify data subsampling as a viable method to reduce resources required for alignment. Further, we propose an information theory-based methodology for efficient alignment by identifying a small high quality subset thereby reducing the computation and time required by alignment. We evaluate the proposed methodology over multiple datasets and compare the results. We find that the model aligned using our proposed methodology outperforms other sampling methods and performs comparable to the model aligned with the full dataset while using less than 10% data, leading to greater than 90% savings in costs, resources, and faster LLM alignment.
Authors: Peter St. John, Dejun Lin, Polina Binder, Malcolm Greaves, Vega Shah, John St. John, Adrian Lange, Patrick Hsu, Rajesh Illango, Arvind Ramanathan, Anima Anandkumar, David H Brookes, Akosua Busia, Abhishaike Mahajan, Stephen Malina, Neha Prasad, Sam Sinai, Lindsay Edwards, Thomas Gaudelet, Cristian Regep, Martin Steinegger, Burkhard Rost, Alexander Brace, Kyle Hippe, Luca Naef, Keisuke Kamata, George Armstrong, Kevin Boyd, Zhonglin Cao, Han-Yi Chou, Simon Chu, Allan dos Santos Costa, Sajad Darabi, Eric Dawson, Kieran Didi, Cong Fu, Mario Geiger, Michelle Gill, Darren Hsu, Gagan Kaushik, Maria Korshunova, Steven Kothen-Hill, Youhan Lee, Meng Liu, Micha Livne, Zachary McClure, Jonathan Mitchell, Alireza Moradzadeh, Ohad Mosafi, Youssef Nashed, Saee Paliwal, Yuxing Peng, Sara Rabhi, Farhad Ramezanghorbani, Danny Reidenbach, Camir Ricketts, Brian Roland, Kushal Shah, Tyler Shimko, Hassan Sirelkhatim, Savitha Srinivasan, Abraham C Stern, Dorota Toczydlowska, Srimukh Prasad Veccham, Niccol\`o Alberto Elia Venanzi, Anton Vorontsov, Jared Wilber, Isabel Wilkinson, Wei Jing Wong, Eva Xue, Cory Ye, Xin Yu, Yang Zhang, Guoqing Zhou, Becca Zandstein, Christian Dallago, Bruno Trentini, Emine Kucukbenli, Saee Paliwal, Timur Rvachov, Eddie Calleja, Johnny Israeli, Harry Clifford, Risto Haukioja, Nicholas Haemel, Kyle Tretina, Neha Tadimeti, Anthony B Costa
Abstract: Artificial Intelligence models encoding biology and chemistry are opening new routes to high-throughput and high-quality in-silico drug development. However, their training increasingly relies on computational scale, with recent protein language models (pLM) training on hundreds of graphical processing units (GPUs). We introduce the BioNeMo Framework to facilitate the training of computational biology and chemistry AI models across hundreds of GPUs. Its modular design allows the integration of individual components, such as data loaders, into existing workflows and is open to community contributions. We detail technical features of the BioNeMo Framework through use cases such as pLM pre-training and fine-tuning. On 256 NVIDIA A100s, BioNeMo Framework trains a three billion parameter BERT-based pLM on over one trillion tokens in 4.2 days. The BioNeMo Framework is open-source and free for everyone to use.
Authors: Peter Halmos, Xinhao Liu, Julian Gold, Benjamin J Raphael
Abstract: Optimal transport (OT) is a general framework for finding a minimum-cost transport plan, or coupling, between probability distributions, and has many applications in machine learning. A key challenge in applying OT to massive datasets is the quadratic scaling of the coupling matrix with the size of the dataset. [Forrow et al. 2019] introduced a factored coupling for the k-Wasserstein barycenter problem, which [Scetbon et al. 2021] adapted to solve the primal low-rank OT problem. We derive an alternative parameterization of the low-rank problem based on the $\textit{latent coupling}$ (LC) factorization previously introduced by [Lin et al. 2021] generalizing [Forrow et al. 2019]. The LC factorization has multiple advantages for low-rank OT including decoupling the problem into three OT problems and greater flexibility and interpretability. We leverage these advantages to derive a new algorithm $\textit{Factor Relaxation with Latent Coupling}$ (FRLC), which uses $\textit{coordinate}$ mirror descent to compute the LC factorization. FRLC handles multiple OT objectives (Wasserstein, Gromov-Wasserstein, Fused Gromov-Wasserstein), and marginal constraints (balanced, unbalanced, and semi-relaxed) with linear space complexity. We provide theoretical results on FRLC, and demonstrate superior performance on diverse applications -- including graph clustering and spatial transcriptomics -- while demonstrating its interpretability.
Authors: Moshe Kimhi, Idan Kashani, Avi Mendelson, Chaim Baskin
Abstract: The widely used ReLU is favored for its hardware efficiency, {as the implementation at inference is a one bit sign case,} yet suffers from issues such as the ``dying ReLU'' problem, where during training, neurons fail to activate and constantly remain at zero, as highlighted by Lu et al. Traditional approaches to mitigate this issue often introduce more complex and less hardware-friendly activation functions. In this work, we propose a Hysteresis Rectified Linear Unit (HeLU), an efficient activation function designed to address the ``dying ReLU'' problem with minimal complexity. Unlike traditional activation functions with fixed thresholds for training and inference, HeLU employs a variable threshold that refines the backpropagation. This refined mechanism allows simpler activation functions to achieve competitive performance comparable to their more complex counterparts without introducing unnecessary complexity or requiring inductive biases. Empirical evaluations demonstrate that HeLU enhances model generalization across diverse datasets, offering a promising solution for efficient and effective inference suitable for a wide range of neural network architectures.
Authors: Sannara Ek, Kaile Wang, Fran\c{c}ois Portet, Philippe Lalanda, Jiannong Cao
Abstract: Federated Learning (FL) enables collaborative, personalized model training across multiple devices without sharing raw data, making it ideal for pervasive computing applications that optimize user-centric performances in diverse environments. However, data heterogeneity among clients poses a significant challenge, leading to inconsistencies among trained client models and reduced performance. To address this, we introduce the Alignment with Prototypes (ALP) layers, which align incoming embeddings closer to learnable prototypes through an optimal transport plan. During local training, the ALP layer updates local prototypes and aligns embeddings toward global prototypes aggregated from all clients using our novel FL framework, Federated Alignment (FedAli). For model inferences, embeddings are guided toward local prototypes to better reflect the client's local data distribution. We evaluate FedAli on heterogeneous sensor-based human activity recognition and vision benchmark datasets, demonstrating that it outperforms existing FL strategies. We publicly release our source code to facilitate reproducibility and furthered research.
Authors: Yonggan Fu, Zhongzhi Yu, Junwei Li, Jiayi Qian, Yongan Zhang, Xiangchi Yuan, Dachuan Shi, Roman Yakunin, Yingyan Celine Lin
Abstract: Motivated by the transformative capabilities of large language models (LLMs) across various natural language tasks, there has been a growing demand to deploy these models effectively across diverse real-world applications and platforms. However, the challenge of efficiently deploying LLMs has become increasingly pronounced due to the varying application-specific performance requirements and the rapid evolution of computational platforms, which feature diverse resource constraints and deployment flows. These varying requirements necessitate LLMs that can adapt their structures (depth and width) for optimal efficiency across different platforms and application specifications. To address this critical gap, we propose AmoebaLLM, a novel framework designed to enable the instant derivation of LLM subnets of arbitrary shapes, which achieve the accuracy-efficiency frontier and can be extracted immediately after a one-time fine-tuning. In this way, AmoebaLLM significantly facilitates rapid deployment tailored to various platforms and applications. Specifically, AmoebaLLM integrates three innovative components: (1) a knowledge-preserving subnet selection strategy that features a dynamic-programming approach for depth shrinking and an importance-driven method for width shrinking; (2) a shape-aware mixture of LoRAs to mitigate gradient conflicts among subnets during fine-tuning; and (3) an in-place distillation scheme with loss-magnitude balancing as the fine-tuning objective. Extensive experiments validate that AmoebaLLM not only sets new standards in LLM adaptability but also successfully delivers subnets that achieve state-of-the-art trade-offs between accuracy and efficiency.
Authors: Jingcheng Lu, Jeff Calder
Abstract: We propose a new method for data visualization based on attraction-repulsion swarming (ARS) dynamics, which we call ARS visualization. ARS is a generalized framework that is based on viewing the t-distributed stochastic neighbor embedding (t-SNE) visualization technique as a swarm of interacting agents driven by attraction and repulsion. Motivated by recent developments in swarming, we modify the t-SNE dynamics to include a normalization by the \emph{total influence}, which results in better posed dynamics in which we can use a data size independent time step (of $h=1$) and a simple iteration, without the need for the array of optimization tricks employed in t-SNE. ARS also includes the ability to separately tune the attraction and repulsion kernels, which gives the user control over the tightness within clusters and the spacing between them in the visualization. In contrast with t-SNE, our proposed ARS data visualization method is not gradient descent on the Kullback-Leibler divergence, and can be viewed solely as an interacting particle system driven by attraction and repulsion forces. We provide theoretical results illustrating how the choice of interaction kernel affects the dynamics, and experimental results to validate our method and compare to t-SNE on the MNIST and Cifar-10 data sets.
Authors: Ratun Rahman, Neeraj Kumar, Dinh C. Nguyen
Abstract: Electric load forecasting is essential for power management and stability in smart grids. This is mainly achieved via advanced metering infrastructure, where smart meters (SMs) are used to record household energy consumption. Traditional machine learning (ML) methods are often employed for load forecasting but require data sharing which raises data privacy concerns. Federated learning (FL) can address this issue by running distributed ML models at local SMs without data exchange. However, current FL-based approaches struggle to achieve efficient load forecasting due to imbalanced data distribution across heterogeneous SMs. This paper presents a novel personalized federated learning (PFL) method to load prediction under non-independent and identically distributed (non-IID) metering data settings. Specifically, we introduce meta-learning, where the learning rates are manipulated using the meta-learning idea to maximize the gradient for each client in each global round. Clients with varying processing capacities, data sizes, and batch sizes can participate in global model aggregation and improve their local load forecasting via personalized learning. Simulation results show that our approach outperforms state-of-the-art ML and FL methods in terms of better load forecasting accuracy.
Authors: Divesh Basina, Joseph Raj Vishal, Aarya Choudhary, Bharatesh Chakravarthi
Abstract: The curse of dimensionality poses a significant challenge to modern multilayer perceptron-based architectures, often causing performance stagnation and scalability issues. Addressing this limitation typically requires vast amounts of data. In contrast, Kolmogorov-Arnold Networks have gained attention in the machine learning community for their bold claim of being unaffected by the curse of dimensionality. This paper explores the Kolmogorov-Arnold representation theorem and the mathematical principles underlying Kolmogorov-Arnold Networks, which enable their scalability and high performance in high-dimensional spaces. We begin with an introduction to foundational concepts necessary to understand Kolmogorov-Arnold Networks, including interpolation methods and Basis-splines, which form their mathematical backbone. This is followed by an overview of perceptron architectures and the Universal approximation theorem, a key principle guiding modern machine learning. This is followed by an overview of the Kolmogorov-Arnold representation theorem, including its mathematical formulation and implications for overcoming dimensionality challenges. Next, we review the architecture and error-scaling properties of Kolmogorov-Arnold Networks, demonstrating how these networks achieve true freedom from the curse of dimensionality. Finally, we discuss the practical viability of Kolmogorov-Arnold Networks, highlighting scenarios where their unique capabilities position them to excel in real-world applications. This review aims to offer insights into Kolmogorov-Arnold Networks' potential to redefine scalability and performance in high-dimensional learning tasks.
Authors: Kai Helli, David Schnurr, Noah Hollmann, Samuel M\"uller, Frank Hutter
Abstract: While most ML models expect independent and identically distributed data, this assumption is often violated in real-world scenarios due to distribution shifts, resulting in the degradation of machine learning model performance. Until now, no tabular method has consistently outperformed classical supervised learning, which ignores these shifts. To address temporal distribution shifts, we present Drift-Resilient TabPFN, a fresh approach based on In-Context Learning with a Prior-Data Fitted Network that learns the learning algorithm itself: it accepts the entire training dataset as input and makes predictions on the test set in a single forward pass. Specifically, it learns to approximate Bayesian inference on synthetic datasets drawn from a prior that specifies the model's inductive bias. This prior is based on structural causal models (SCM), which gradually shift over time. To model shifts of these causal models, we use a secondary SCM, that specifies changes in the primary model parameters. The resulting Drift-Resilient TabPFN can be applied to unseen data, runs in seconds on small to moderately sized datasets and needs no hyperparameter tuning. Comprehensive evaluations across 18 synthetic and real-world datasets demonstrate large performance improvements over a wide range of baselines, such as XGB, CatBoost, TabPFN, and applicable methods featured in the Wild-Time benchmark. Compared to the strongest baselines, it improves accuracy from 0.688 to 0.744 and ROC AUC from 0.786 to 0.832 while maintaining stronger calibration. This approach could serve as significant groundwork for further research on out-of-distribution prediction.
Authors: Ethan Wu, Caleb Ellington, Ben Lengerich, Eric P. Xing
Abstract: Tuberculosis (TB) is a major global health challenge, and is compounded by co-morbidities such as HIV, diabetes, and anemia, which complicate treatment outcomes and contribute to heterogeneous patient responses. Traditional models of TB often overlook this heterogeneity by focusing on broad, pre-defined patient groups, thereby missing the nuanced effects of individual patient contexts. We propose moving beyond coarse subgroup analyses by using contextualized modeling, a multi-task learning approach that encodes patient context into personalized models of treatment effects, revealing patient-specific treatment benefits. Applied to the TB Portals dataset with multi-modal measurements for over 3,000 TB patients, our model reveals structured interactions between co-morbidities, treatments, and patient outcomes, identifying anemia, age of onset, and HIV as influential for treatment efficacy. By enhancing predictive accuracy in heterogeneous populations and providing patient-specific insights, contextualized models promise to enable new approaches to personalized treatment.
Authors: Huy Tran, Yikun Bai, Ashkan Shahbazi, John R. Hershey, Soheil Kolouri
Abstract: The practical applications of Wasserstein distances (WDs) are constrained by their sample and computational complexities. Sliced-Wasserstein distances (SWDs) provide a workaround by projecting distributions onto one-dimensional subspaces, leveraging the more efficient, closed-form WDs for one-dimensional distributions. However, in high dimensions, most random projections become uninformative due to the concentration of measure phenomenon. Although several SWD variants have been proposed to focus on \textit{informative} slices, they often introduce additional complexity, numerical instability, and compromise desirable theoretical (metric) properties of SWD. Amidst the growing literature that focuses on directly modifying the slicing distribution, which often face challenges, we revisit the classical Sliced-Wasserstein and propose instead to rescale the 1D Wasserstein to make all slices equally informative. Importantly, we show that with an appropriate data assumption and notion of \textit{slice informativeness}, rescaling for all individual slices simplifies to \textbf{a single global scaling factor} on the SWD. This, in turn, translates to the standard learning rate search for gradient-based learning in common machine learning workflows. We perform extensive experiments across various machine learning tasks showing that the classical SWD, when properly configured, can often match or surpass the performance of more complex variants. We then answer the following question: "Is Sliced-Wasserstein all you need for common learning tasks?"
Authors: Ayesha Siddiqua, Atib Mohammad Oni, Abu Saleh Musa Miah, Jungpil Shin
Abstract: Post-traumatic stress disorder (PTSD) is a significant mental health challenge that affects individuals exposed to traumatic events. Early detection and effective intervention for PTSD are crucial, as it can lead to long-term psychological distress if untreated. Accurate detection of PTSD is essential for timely and targeted mental health interventions, especially in disaster-affected populations. Existing research has explored machine learning approaches for classifying PTSD, but many face limitations in terms of model performance and generalizability. To address these issues, we implemented a comprehensive preprocessing pipeline. This included data cleaning, missing value treatment using the SimpleImputer, label encoding of categorical variables, data augmentation using SMOTE to balance the dataset, and feature scaling with StandardScaler. The dataset was split into 80\% training and 20\% testing. We developed an ensemble model using a majority voting technique among several classifiers, including Logistic Regression, Support Vector Machines (SVM), Random Forest, XGBoost, LightGBM, and a customized Artificial Neural Network (ANN). The ensemble model achieved an accuracy of 96.76\% with a benchmark dataset, significantly outperforming individual models. The proposed method's advantages include improved robustness through the combination of multiple models, enhanced ability to generalize across diverse data points, and increased accuracy in detecting PTSD. Additionally, the use of SMOTE for data augmentation ensured better handling of imbalanced datasets, leading to more reliable predictions. The proposed approach offers valuable insights for policymakers and healthcare providers by leveraging predictive analytics to address mental health issues in vulnerable populations, particularly those affected by disasters.
Authors: Jinbo Wang, Ruijin Wang, Fengli Zhang
Abstract: Federated learning (FL) is vulnerable to model poisoning attacks due to its distributed nature. The current defenses start from all user gradients (model updates) in each communication round and solve for the optimal aggregation gradients (horizontal solution). This horizontal solution will completely fail when facing large-scale (>50%) model poisoning attacks. In this work, based on the key insight that the convergence process of the model is a highly predictable process, we break away from the traditional horizontal solution of defense and innovatively transform the problem of solving the optimal aggregation gradients into a vertical solution problem. We propose VERT, which uses global communication rounds as the vertical axis, trains a predictor using historical gradients information to predict user gradients, and compares the similarity with actual user gradients to precisely and efficiently select the optimal aggregation gradients. In order to reduce the computational complexity of VERT, we design a low dimensional vector projector to project the user gradients to a computationally acceptable length, and then perform subsequent predictor training and prediction tasks. Exhaustive experiments show that VERT is efficient and scalable, exhibiting excellent large-scale (>=80%) model poisoning defense effects under different FL scenarios. In addition, we can design projector with different structures for different model structures to adapt to aggregation servers with different computing power.
Authors: Nikhil P Ghanathe, Steven J E Wilton
Abstract: TinyML models often operate in remote, dynamic environments without cloud connectivity, making them prone to failures. Ensuring reliability in such scenarios requires not only detecting model failures but also identifying their root causes. However, transient failures, privacy concerns, and the safety-critical nature of many applications-where systems cannot be interrupted for debugging-complicate the use of raw sensor data for offline analysis. We propose DEBUG-HD, a novel, resource-efficient on-device debugging approach optimized for KB-sized tinyML devices that utilizes hyper-dimensional computing (HDC). Our method introduces a new HDC encoding technique that leverages conventional neural networks, allowing DEBUG-HD to outperform prior binary HDC methods by 27% on average in detecting input corruptions across various image and audio datasets.
Authors: Huaqin Zhao, Jiaxi Li, Yi Pan, Shizhe Liang, Xiaofeng Yang, Wei Liu, Xiang Li, Fei Dou, Tianming Liu, Jin Lu
Abstract: Fine-tuning large language models (LLMs) poses significant memory challenges, as the back-propagation process demands extensive resources, especially with growing model sizes. Recent work, MeZO, addresses this issue using a zeroth-order (ZO) optimization method, which reduces memory consumption by matching the usage to the inference phase. However, MeZO experiences slow convergence due to varying curvatures across model parameters. To overcome this limitation, we introduce HELENE, a novel scalable and memory-efficient optimizer that integrates annealed A-GNB gradients with a diagonal Hessian estimation and layer-wise clipping, serving as a second-order pre-conditioner. This combination allows for faster and more stable convergence. Our theoretical analysis demonstrates that HELENE improves convergence rates, particularly for models with heterogeneous layer dimensions, by reducing the dependency on the total parameter space dimension. Instead, the method scales with the largest layer dimension, making it highly suitable for modern LLM architectures. Experimental results on RoBERTa-large and OPT-1.3B across multiple tasks show that HELENE achieves up to a 20x speedup compared to MeZO, with average accuracy improvements of 1.5%. Furthermore, HELENE remains compatible with both full parameter tuning and parameter-efficient fine-tuning (PEFT), outperforming several state-of-the-art optimizers. The codes will be released after reviewing.
Authors: Ebrahim Farahmand, Shovito Barua Soumma, Nooshin Taheri Chatrudi, Hassan Ghasemzadeh
Abstract: The availability of continuous glucose monitors as over-the-counter commodities have created a unique opportunity to monitor a person's blood glucose levels, forecast blood glucose trajectories and provide automated interventions to prevent devastating chronic complications that arise from poor glucose control. However, forecasting blood glucose levels is challenging because blood glucose changes consistently in response to food intake, medication intake, physical activity, sleep, and stress. It is particularly difficult to accurately predict BGL from multimodal and irregularly sampled data and over long prediction horizons. Furthermore, these forecasting models must operate in real-time on edge devices to provide in-the-moment interventions. To address these challenges, we propose GlucoNet, an AI-powered sensor system for continuously monitoring behavioral and physiological health and robust forecasting of blood glucose patterns. GlucoNet devises a feature decomposition-based transformer model that incorporates patients' behavioral and physiological data and transforms sparse and irregular patient data (e.g., diet and medication intake data) into continuous features using a mathematical model, facilitating better integration with the BGL data. Given the non-linear and non-stationary nature of BG signals, we propose a decomposition method to extract both low and high-frequency components from the BGL signals, thus providing accurate forecasting. To reduce the computational complexity, we also propose to employ knowledge distillation to compress the transformer model. GlucoNet achieves a 60% improvement in RMSE and a 21% reduction in the number of parameters, using data obtained involving 12 participants with T1-Diabetes. These results underscore GlucoNet's potential as a compact and reliable tool for real-world diabetes prevention and management.
Authors: Tanjina Sultana Camelia, Faizur Rahman Fahim, Md. Musfique Anwar
Abstract: Nowadays, the rapid diffusion of fake news poses a significant problem, as it can spread misinformation and confusion. This paper aims to develop an advanced machine learning solution for detecting fake news articles. Leveraging a comprehensive dataset of news articles, including 23,502 fake news articles and 21,417 accurate news articles, we implemented and evaluated three machine-learning models. Our dataset, curated from diverse sources, provides rich textual content categorized into title, text, subject, and Date features. These features are essential for training robust classification models to distinguish between fake and authentic news articles. The initial model employed a Long Short-Term Memory (LSTM) network, achieving an accuracy of 94%. The second model improved upon this by incorporating additional regularization techniques and fine-tuning hyperparameters, resulting in a 97% accuracy. The final model combined the strengths of previous architectures with advanced optimization strategies, achieving a peak accuracy of 98%. These results demonstrate the effectiveness of our approach in identifying fake news with high precision. Implementing these models showcases significant advancements in natural language processing and machine learning techniques, contributing valuable tools for combating misinformation. Our work highlights the potential for deploying such models in real-world applications, providing a reliable method for automated fake news detection and enhancing the credibility of news dissemination.
Authors: Nitin Sagar Boyeena, Begari Susheel Kumar
Abstract: Time series forecasting is crucial in several sectors, such as meteorology, retail, healthcare, and finance. Accurately forecasting future trends and patterns is crucial for strategic planning and making well-informed decisions. In this case, it is crucial to include many forecasting methodologies. The strengths of Auto-regressive Integrated Moving Average (ARIMA) for linear time series, Seasonal ARIMA models (SARIMA) for seasonal time series, Exponential Smoothing State Space Models (ETS) for handling errors and trends, and Long Short-Term Memory (LSTM) Neural Network model for complex pattern recognition have been combined to create a comprehensive framework called FlowScope. SARIMA excels in capturing seasonal variations, whereas ARIMA ensures effective handling of linear time series. ETS models excel in capturing trends and correcting errors, whereas LSTM networks excel in reflecting intricate temporal connections. By combining these methods from both machine learning and deep learning, we propose a deep-hybrid learning approach FlowScope which offers a versatile and robust platform for predicting time series data. This empowers enterprises to make informed decisions and optimize long-term strategies for maximum performance. Keywords: Time Series Forecasting, HybridFlow Forecast Framework, Deep-Hybrid Learning, Informed Decisions.
Authors: Anya Chauhan, Ayush Noori, Zhaozhi Li, Yingnan He, Michelle M Li, Marinka Zitnik, Sudeshna Das
Abstract: Alzheimer's disease (AD) is a complex, progressive neurodegenerative disorder characterized by extracellular A\b{eta} plaques, neurofibrillary tau tangles, glial activation, and neuronal degeneration, involving multiple cell types and pathways. Current models often overlook the cellular context of these pathways. To address this, we developed a multiscale graph neural network (GNN) model, ALZ PINNACLE, using brain omics data from donors spanning the entire aging to AD spectrum. ALZ PINNACLE is based on the PINNACLE GNN framework, which learns context-aware protein, cell type, and tissue representations within a unified latent space. ALZ PINNACLE was trained on 14,951 proteins, 206,850 protein interactions, 7 cell types, and 48 cell subtypes or states. After pretraining, we investigated the learned embedding of APOE, the largest genetic risk factor for AD, across different cell types. Notably, APOE embeddings showed high similarity in microglial, neuronal, and CD8 cells, suggesting a similar role of APOE in these cell types. Fine tuning the model on AD risk genes revealed cell type contexts predictive of the role of APOE in AD. Our results suggest that ALZ PINNACLE may provide a valuable framework for uncovering novel insights into AD neurobiology.
Authors: Luciano S. Martinez-Rau, Yuxuan Zhang, Bengt Oelmann, Sebastian Bader
Abstract: Mining 4.0 leverages advancements in automation, digitalization, and interconnected technologies from Industry 4.0 to address the unique challenges of the mining sector, enhancing efficiency, safety, and sustainability. Conveyor belts are crucial in mining operations by enabling the continuous and efficient movement of bulk materials over long distances, which directly impacts productivity. While detecting anomalies in specific conveyor belt components, such as idlers, pulleys, and belt surfaces, has been widely studied, identifying the root causes of these failures remains critical due to factors like changing production conditions and operator errors. Continuous monitoring of mining conveyor belt work cycles for anomaly detection is still at an early stage and requires robust solutions. This study proposes two distinctive pattern recognition approaches for real-time anomaly detection in the operational cycles of mining conveyor belts, combining feature extraction, threshold-based cycle detection, and tiny machine-learning classification. Both approaches outperformed a state-of-the-art technique on two datasets for duty cycle classification in terms of F1-scores. The first approach, with 97.3% and 80.2% for normal and abnormal cycles, respectively, reaches the highest performance in the first dataset while the second approach excels on the second dataset, scoring 91.3% and 67.9%. Implemented on two low-power microcontrollers, the methods demonstrated efficient, real-time operation with energy consumption of 13.3 and 20.6 ${\mu}$J during inference. These results offer valuable insights for detecting mechanical failure sources, supporting targeted preventive maintenance, and optimizing production cycles.
Authors: Yuhong Chou, Man Yao, Kexin Wang, Yuqi Pan, Ruijie Zhu, Yiran Zhong, Yu Qiao, Jibin Wu, Bo Xu, Guoqi Li
Abstract: Various linear complexity models, such as Linear Transformer (LinFormer), State Space Model (SSM), and Linear RNN (LinRNN), have been proposed to replace the conventional softmax attention in Transformer structures. However, the optimal design of these linear models is still an open question. In this work, we attempt to answer this question by finding the best linear approximation to softmax attention from a theoretical perspective. We start by unifying existing linear complexity models as the linear attention form and then identify three conditions for the optimal linear attention design: 1) Dynamic memory ability; 2) Static approximation ability; 3) Least parameter approximation. We find that none of the current linear models meet all three conditions, resulting in suboptimal performance. Instead, we propose Meta Linear Attention (MetaLA) as a solution that satisfies these conditions. Our experiments on Multi-Query Associative Recall (MQAR) task, language modeling, image classification, and Long-Range Arena (LRA) benchmark demonstrate that MetaLA is more effective than the existing linear models.
Authors: Zachary Dana, Ahmed Ammar Naseer, Botros Toro, Sumanth Swaminathan
Abstract: Chronic kidney disease (CKD) is a significant public health challenge, often progressing to end-stage renal disease (ESRD) if not detected and managed early. Early intervention, warranted by silent disease progression, can significantly reduce associated morbidity, mortality, and financial burden. In this study, we propose a novel approach to modeling CKD progression using a combination of machine learning techniques and classical statistical models. Building on the work of Liu et al. (2023), we evaluate linear models, tree-based methods, and deep learning models to extract novel predictors for CKD progression, with feature importance assessed using Shapley values. These newly identified predictors, integrated with established clinical features from the Kidney Failure Risk Equation, are then applied within the framework of Cox proportional hazards models to predict CKD progression.
Authors: JooHyoung Cha, Munyoung Lee, Jinse Kwon, Jubin Lee, Jemin Lee, Yongin Kwon
Abstract: The increasing complexity of deep learning models necessitates specialized hardware and software optimizations, particularly for deep learning accelerators. Existing autotuning methods often suffer from prolonged tuning times due to profiling invalid configurations, which can cause runtime errors. We introduce ML$^2$Tuner, a multi-level machine learning tuning technique that enhances autotuning efficiency by incorporating a validity prediction model to filter out invalid configurations and an advanced performance prediction model utilizing hidden features from the compilation process. Experimental results on an extended VTA accelerator demonstrate that ML$^2$Tuner achieves equivalent performance improvements using only 12.3% of the samples required with a similar approach as TVM and reduces invalid profiling attempts by an average of 60.8%, Highlighting its potential to enhance autotuning performance by filtering out invalid configurations
Authors: Weiming Xu, Peng Zhang
Abstract: As core thermal power generation equipment, steam turbines incur significant expenses and adverse effects on operation when facing interruptions like downtime, maintenance, and damage. Accurate anomaly detection is the prerequisite for ensuring the safe and stable operation of steam turbines. However, challenges in steam turbine anomaly detection, including inherent anomalies, lack of temporal information analysis, and high-dimensional data complexity, limit the effectiveness of existing methods. To address these challenges, we proposed an Enhanced Long Short-Term Memory Variational Autoencoder using Deep Advanced Features and Gaussian Mixture Model (ELSTMVAE-DAF-GMM) for precise unsupervised anomaly detection in unlabeled datasets. Specifically, LSTMVAE, integrating LSTM with VAE, was used to project high-dimensional time-series data to a low-dimensional phase space. The Deep Autoencoder-Local Outlier Factor (DAE-LOF) sample selection mechanism was used to eliminate inherent anomalies during training, further improving the model's precision and reliability. The novel deep advanced features (DAF) hybridize latent embeddings and reconstruction discrepancies from the LSTMVAE model and provide a more comprehensive data representation within a continuous and structured phase space, significantly enhancing anomaly detection by synergizing temporal dynamics with data pattern variations. These DAF were incorporated into GMM to ensure robust and effective unsupervised anomaly detection. We utilized real operating data from industry steam turbines and conducted both comparison and ablation experiments, demonstrating superior anomaly detection outcomes characterized by high accuracy and minimal false alarm rates compared with existing methods.
Authors: Bogdan Chornomaz, Shay Moran, Tom Waknine
Abstract: Many practical prediction algorithms represent inputs in Euclidean space and replace the discrete 0/1 classification loss with a real-valued surrogate loss, effectively reducing classification tasks to stochastic optimization. In this paper, we investigate the expressivity of such reductions in terms of key resources, including dimension and the role of randomness. We establish bounds on the minimum Euclidean dimension $D$ needed to reduce a concept class with VC dimension $d$ to a Stochastic Convex Optimization (SCO) problem in $\mathbb{R}^D$, formally addressing the intuitive interpretation of the VC dimension as the number of parameters needed to learn the class. To achieve this, we develop a generalization of the Borsuk-Ulam Theorem that combines the classical topological approach with convexity considerations. Perhaps surprisingly, we show that, in some cases, the number of parameters $D$ must be exponentially larger than the VC dimension $d$, even if the reduction is only slightly non-trivial. We also present natural classification tasks that can be represented in much smaller dimensions by leveraging randomness, as seen in techniques like random initialization. This result resolves an open question posed by Kamath, Montasser, and Srebro (COLT 2020). Our findings introduce new variants of \emph{dimension complexity} (also known as \emph{sign-rank}), a well-studied parameter in learning and complexity theory. Specifically, we define an approximate version of sign-rank and another variant that captures the minimum dimension required for a reduction to SCO. We also propose several open questions and directions for future research.
Authors: Feng Chen, Fuguang Han, Cong Guan, Lei Yuan, Zhilong Zhang, Yang Yu, Zongzhang Zhang
Abstract: Given the inherent non-stationarity prevalent in real-world applications, continual Reinforcement Learning (RL) aims to equip the agent with the capability to address a series of sequentially presented decision-making tasks. Within this problem setting, a pivotal challenge revolves around \textit{catastrophic forgetting} issue, wherein the agent is prone to effortlessly erode the decisional knowledge associated with past encountered tasks when learning the new one. In recent progresses, the \textit{generative replay} methods have showcased substantial potential by employing generative models to replay data distribution of past tasks. Compared to storing the data from past tasks directly, this category of methods circumvents the growing storage overhead and possible data privacy concerns. However, constrained by the expressive capacity of generative models, existing \textit{generative replay} methods face challenges in faithfully reconstructing the data distribution of past tasks, particularly in scenarios with a myriad of tasks or high-dimensional data. Inspired by the success of diffusion models in various generative tasks, this paper introduces a novel continual RL algorithm DISTR (Diffusion-based Trajectory Replay) that employs a diffusion model to memorize the high-return trajectory distribution of each encountered task and wakeups these distributions during the policy learning on new tasks. Besides, considering the impracticality of replaying all past data each time, a prioritization mechanism is proposed to prioritize the trajectory replay of pivotal tasks in our method. Empirical experiments on the popular continual RL benchmark \texttt{Continual World} demonstrate that our proposed method obtains a favorable balance between \textit{stability} and \textit{plasticity}, surpassing various existing continual RL baselines in average success rate.
Authors: Sohil Atul Shah, Vladlen Koltun
Abstract: Estimating three-dimensional conformations of a molecular graph allows insight into the molecule's biological and chemical functions. Fast generation of valid conformations is thus central to molecular modeling. Recent advances in graph-based deep networks have accelerated conformation generation from hours to seconds. However, current network architectures do not scale well to large molecules. Here we present ConfFlow, a flow-based model for conformation generation based on transformer networks. In contrast with existing approaches, ConfFlow directly samples in the coordinate space without enforcing any explicit physical constraints. The generative procedure is highly interpretable and is akin to force field updates in molecular dynamics simulation. When applied to the generation of large molecule conformations, ConfFlow improve accuracy by up to $40\%$ relative to state-of-the-art learning-based methods. The source code is made available at https://github.com/IntelLabs/ConfFlow.
Authors: Yang Yan, Zhong Chen, Cai Xu, Xinglei Shen, Jay Shiao, John Einck, Ronald C Chen, Hao Gao
Abstract: Patient-reported outcomes (PROs) directly collected from cancer patients being treated with radiation therapy play a vital role in assisting clinicians in counseling patients regarding likely toxicities. Precise prediction and evaluation of symptoms or health status associated with PROs are fundamental to enhancing decision-making and planning for the required services and support as patients transition into survivorship. However, the raw PRO data collected from hospitals exhibits some intrinsic challenges such as incomplete item reports and imbalance patient toxicities. To the end, in this study, we explore various machine learning techniques to predict patient outcomes related to health status such as pain levels and sleep discomfort using PRO datasets from a cancer photon/proton therapy center. Specifically, we deploy six advanced machine learning classifiers -- Random Forest (RF), XGBoost, Gradient Boosting (GB), Support Vector Machine (SVM), Multi-Layer Perceptron with Bagging (MLP-Bagging), and Logistic Regression (LR) -- to tackle a multi-class imbalance classification problem across three prevalent cancer types: head and neck, prostate, and breast cancers. To address the class imbalance issue, we employ an oversampling strategy, adjusting the training set sample sizes through interpolations of in-class neighboring samples, thereby augmenting minority classes without deviating from the original skewed class distribution. Our experimental findings across multiple PRO datasets indicate that the RF and XGB methods achieve robust generalization performance, evidenced by weighted AUC and detailed confusion matrices, in categorizing outcomes as mild, intermediate, and severe post-radiation therapy. These results underscore the models' effectiveness and potential utility in clinical settings.
Authors: Teng Xiao, Chao Cui, Huaisheng Zhu, Vasant G. Honavar
Abstract: Pretraining molecular representations is crucial for drug and material discovery. Recent methods focus on learning representations from geometric structures, effectively capturing 3D position information. Yet, they overlook the rich information in biomedical texts, which detail molecules' properties and substructures. With this in mind, we set up a data collection effort for 200K pairs of ground-state geometric structures and biomedical texts, resulting in a PubChem3D dataset. Based on this dataset, we propose the GeomCLIP framework to enhance for multi-modal representation learning from molecular structures and biomedical text. During pre-training, we design two types of tasks, i.e., multimodal representation alignment and unimodal denoising pretraining, to align the 3D geometric encoder with textual information and, at the same time, preserve its original representation power. Experimental results show the effectiveness of GeomCLIP in various tasks such as molecular property prediction, zero-shot text-molecule retrieval, and 3D molecule captioning. Our code and collected dataset are available at \url{https://github.com/xiaocui3737/GeomCLIP}
Authors: Ahmed Shoyeb Raihan, Austin Harper, Israt Zarin Era, Omar Al-Shebeeb, Thorsten Wuest, Srinjoy Das, Imtiaz Ahmed
Abstract: Ensuring the quality and reliability of Metal Additive Manufacturing (MAM) components is crucial, especially in the Laser Powder Bed Fusion (L-PBF) process, where melt pool defects such as keyhole, balling, and lack of fusion can significantly compromise structural integrity. This study presents SL-RF+ (Sequentially Learned Random Forest with Enhanced Sampling), a novel Sequential Learning (SL) framework for melt pool defect classification designed to maximize data efficiency and model accuracy in data-scarce environments. SL-RF+ utilizes RF classifier combined with Least Confidence Sampling (LCS) and Sobol sequence-based synthetic sampling to iteratively select the most informative samples to learn from, thereby refining the model's decision boundaries with minimal labeled data. Results show that SL-RF+ outperformed traditional machine learning models across key performance metrics, including accuracy, precision, recall, and F1 score, demonstrating significant robustness in identifying melt pool defects with limited data. This framework efficiently captures complex defect patterns by focusing on high-uncertainty regions in the process parameter space, ultimately achieving superior classification performance without the need for extensive labeled datasets. While this study utilizes pre-existing experimental data, SL-RF+ shows strong potential for real-world applications in pure sequential learning settings, where data is acquired and labeled incrementally, mitigating the high costs and time constraints of sample acquisition.
Authors: Zihao Li, Yuan Cao, Cheng Gao, Yihan He, Han Liu, Jason M. Klusowski, Jianqing Fan, Mengdi Wang
Abstract: Transformers have achieved great success in recent years. Interestingly, transformers have shown particularly strong in-context learning capability -- even without fine-tuning, they are still able to solve unseen tasks well purely based on task-specific prompts. In this paper, we study the capability of one-layer transformers in learning one of the most classical nonparametric estimators, the one-nearest neighbor prediction rule. Under a theoretical framework where the prompt contains a sequence of labeled training data and unlabeled test data, we show that, although the loss function is nonconvex when trained with gradient descent, a single softmax attention layer can successfully learn to behave like a one-nearest neighbor classifier. Our result gives a concrete example of how transformers can be trained to implement nonparametric machine learning algorithms, and sheds light on the role of softmax attention in transformer models.
Authors: Akash Agrawal (Carnegie Mellon University), Christopher McComb (Carnegie Mellon University)
Abstract: Multi-fidelity Reinforcement Learning (RL) frameworks significantly enhance the efficiency of engineering design by leveraging analysis models with varying levels of accuracy and computational costs. The prevailing methodologies, characterized by transfer learning, human-inspired strategies, control variate techniques, and adaptive sampling, predominantly depend on a structured hierarchy of models. However, this reliance on a model hierarchy overlooks the heterogeneous error distributions of models across the design space, extending beyond mere fidelity levels. This work proposes ALPHA (Adaptively Learned Policy with Heterogeneous Analyses), a novel multi-fidelity RL framework to efficiently learn a high-fidelity policy by adaptively leveraging an arbitrary set of non-hierarchical, heterogeneous, low-fidelity models alongside a high-fidelity model. Specifically, low-fidelity policies and their experience data are dynamically used for efficient targeted learning, guided by their alignment with the high-fidelity policy. The effectiveness of ALPHA is demonstrated in analytical test optimization and octocopter design problems, utilizing two low-fidelity models alongside a high-fidelity one. The results highlight ALPHA's adaptive capability to dynamically utilize models across time and design space, eliminating the need for scheduling models as required in a hierarchical framework. Furthermore, the adaptive agents find more direct paths to high-performance solutions, showing superior convergence behavior compared to hierarchical agents.
Authors: Ruslan Idelfonso Maga\~na Vsevolodovna
Abstract: The generation of complex, large-scale code projects using generative AI models presents challenges due to token limitations, dependency management, and iterative refinement requirements. This paper introduces the See-Saw generative mechanism, a novel methodology for dynamic and recursive code generation. The proposed approach alternates between main code updates and dependency generation to ensure alignment and functionality. By dynamically optimizing token usage and incorporating key elements of the main code into the generation of dependencies, the method enables efficient and scalable code generation for projects requiring hundreds of interdependent files. The mechanism ensures that all code components are synchronized and functional, enabling scalable and efficient project generation. Experimental validation demonstrates the method's capability to manage dependencies effectively while maintaining coherence and minimizing computational overhead.
Authors: Chengyuan Deng, Jie Gao, Kevin Lu, Feng Luo, Hongbin Sun, Cheng Xin
Abstract: We introduce Non-Euclidean-MDS (Neuc-MDS), an extension of classical Multidimensional Scaling (MDS) that accommodates non-Euclidean and non-metric inputs. The main idea is to generalize the standard inner product to symmetric bilinear forms to utilize the negative eigenvalues of dissimilarity Gram matrices. Neuc-MDS efficiently optimizes the choice of (both positive and negative) eigenvalues of the dissimilarity Gram matrix to reduce STRESS, the sum of squared pairwise error. We provide an in-depth error analysis and proofs of the optimality in minimizing lower bounds of STRESS. We demonstrate Neuc-MDS's ability to address limitations of classical MDS raised by prior research, and test it on various synthetic and real-world datasets in comparison with both linear and non-linear dimension reduction methods.
Authors: Ryan Benkert, Mohit Prabhushankar, Ghassan AlRegib
Abstract: The performance of active learning algorithms can be improved in two ways. The often used and intuitive way is by reducing the overall error rate within the test set. The second way is to ensure that correct predictions are not forgotten when the training set is increased in between rounds. The former is measured by the accuracy of the model and the latter is captured in negative flips between rounds. Negative flips are samples that are correctly predicted when trained with the previous/smaller dataset and incorrectly predicted after additional samples are labeled. In this paper, we discuss improving the performance of active learning algorithms both in terms of prediction accuracy and negative flips. The first observation we make in this paper is that negative flips and overall error rates are decoupled and reducing one does not necessarily imply that the other is reduced. Our observation is important as current active learning algorithms do not consider negative flips directly and implicitly assume the opposite. The second observation is that performing targeted active learning on subsets of the unlabeled pool has a significant impact on the behavior of the active learning algorithm and influences both negative flips and prediction accuracy. We then develop ROSE - a plug-in algorithm that utilizes a small labeled validation set to restrict arbitrary active learning acquisition functions to negative flips within the unlabeled pool. We show that integrating a validation set results in a significant performance boost in terms of accuracy, negative flip rate reduction, or both.
Authors: Philips George John, Arnab Bhattacharyya, Silviu Maniu, Dimitrios Myrisiotis, Zhenan Wu
Abstract: Reinforcement learning algorithms are usually stated without theoretical guarantees regarding their performance. Recently, Jin, Yang, Wang, and Jordan (COLT 2020) showed a polynomial-time reinforcement learning algorithm (namely, LSVI-UCB) for the setting of linear Markov decision processes, and provided theoretical guarantees regarding its running time and regret. In real-world scenarios, however, the space usage of this algorithm can be prohibitive due to a utilized linear regression step. We propose and analyze two modifications of LSVI-UCB, which alternate periods of learning and not-learning, to reduce space and time usage while maintaining sublinear regret. We show experimentally, on synthetic data and real-world benchmarks, that our algorithms achieve low space usage and running time, while not significantly sacrificing regret.
Authors: Arushi Gupta, Rafal Kocielnik, Jiayun Wang, Firdavs Nasriddinov, Cherine Yang, Elyssa Wong, Anima Anandkumar, Andrew Hung
Abstract: During surgical training, real-time feedback from trainers to trainees is important for preventing errors and enhancing long-term skill acquisition. Accurately predicting the effectiveness of this feedback, specifically whether it leads to a change in trainee behavior, is crucial for developing methods for improving surgical training and education. However, relying on human annotations to assess feedback effectiveness is laborious and prone to biases, underscoring the need for an automated, scalable, and objective method. Creating such an automated system poses challenges, as it requires an understanding of both the verbal feedback delivered by the trainer and the visual context of the real-time surgical scene. To address this, we propose a method that integrates information from transcribed verbal feedback and corresponding surgical video to predict feedback effectiveness. Our findings show that both transcribed feedback and surgical video are individually predictive of trainee behavior changes, and their combination achieves an AUROC of 0.70+/-0.02, improving prediction accuracy by up to 6.6%. Additionally, we introduce self-supervised fine-tuning as a strategy for enhancing surgical video representation learning, which is scalable and further enhances prediction performance. Our results demonstrate the potential of multi-modal learning to advance the automated assessment of surgical feedback.
Authors: Maneesha Perera, Julian De Hoog, Kasun Bandara, Saman Halgamuge
Abstract: Accurate forecasts of distributed solar generation are necessary to reduce negative impacts resulting from the increased uptake of distributed solar photovoltaic (PV) systems. However, the high variability of solar generation over short time intervals (seconds to minutes) caused by cloud movement makes this forecasting task difficult. To address this, using cloud images, which capture the second-to-second changes in cloud cover affecting solar generation, has shown promise. Recently, deep neural networks with "attention" that focus on important regions of an image have been applied with success in many computer vision applications. However, their use for forecasting cloud movement has not yet been extensively explored. In this work, we propose an attention-based convolutional long short-term memory network to forecast cloud movement and apply an existing self-attention-based method previously proposed for video prediction to forecast cloud movement. We investigate and discuss the impact of cloud forecasts from attention-based methods towards forecasting distributed solar generation, compared to cloud forecasts from non-attention-based methods. We further provide insights into the different solar forecast performances that can be achieved for high and low altitude clouds. We find that for clouds at high altitudes, the cloud predictions obtained using attention-based methods result in solar forecast skill score improvements of 5.86% or more compared to non-attention-based methods.
Authors: William Huang, Yifeng Jiang, Tom Van Wouwe, C. Karen Liu
Abstract: Diffusion models have demonstrated significant promise in various generative tasks; however, they often struggle to satisfy challenging constraints. Our approach addresses this limitation by rethinking training-free loss-guided diffusion from an optimization perspective. We formulate a series of constrained optimizations throughout the inference process of a diffusion model. In each optimization, we allow the sample to take multiple steps along the gradient of the proxy constraint function until we can no longer trust the proxy, according to the variance at each diffusion level. Additionally, we estimate the state manifold of diffusion model to allow for early termination when the sample starts to wander away from the state manifold at each diffusion step. Trust sampling effectively balances between following the unconditional diffusion model and adhering to the loss guidance, enabling more flexible and accurate constrained generation. We demonstrate the efficacy of our method through extensive experiments on complex tasks, and in drastically different domains of images and 3D motion generation, showing significant improvements over existing methods in terms of generation quality. Our implementation is available at https://github.com/will-s-h/trust-sampling.
Authors: Wenjin Guo, Donglai Liu, Weiying Xie, Yunsong Li, Xuefei Ning, Zihan Meng, Shulin Zeng, Jie Lei, Zhenman Fang, Yu Wang
Abstract: Neural network training is a memory- and compute-intensive task. Quantization, which enables low-bitwidth formats in training, can significantly mitigate the workload. To reduce quantization error, recent methods have developed new data formats and additional pre-processing operations on quantizers. However, it remains quite challenging to achieve high accuracy and efficiency simultaneously. In this paper, we explore sub-8-bit integer training from its essence of gradient descent optimization. Our integer training framework includes two components: ShiftQuant to realize accurate gradient estimation, and L1 normalization to smoothen the loss landscape. ShiftQuant attains performance that approaches the theoretical upper bound of group quantization. Furthermore, it liberates group quantization from inefficient memory rearrangement. The L1 normalization facilitates the implementation of fully quantized normalization layers with impressive convergence accuracy. Our method frees sub-8-bit integer training from pre-processing and supports general devices. This framework achieves negligible accuracy loss across various neural networks and tasks ($0.92\%$ on 4-bit ResNets, $0.61\%$ on 6-bit Transformers). The prototypical implementation of ShiftQuant achieves more than $1.85\times/15.3\%$ performance improvement on CPU/GPU compared to its FP16 counterparts, and $33.9\%$ resource consumption reduction on FPGA than the FP16 counterparts. The proposed fully-quantized L1 normalization layers achieve more than $35.54\%$ improvement in throughout on CPU compared to traditional L2 normalization layers. Moreover, theoretical analysis verifies the advancement of our method.
Authors: Sejun Park, Joo Young Park, Hyunwoo Park
Abstract: This paper addresses domain adaptation challenges in graph data resulting from chronological splits. In a transductive graph learning setting, where each node is associated with a timestamp, we focus on the task of Semi-Supervised Node Classification (SSNC), aiming to classify recent nodes using labels of past nodes. Temporal dependencies in node connections create domain shifts, causing significant performance degradation when applying models trained on historical data into recent data. Given the practical relevance of this scenario, addressing domain adaptation in chronological split data is crucial, yet underexplored. We propose Imposing invariance with Message Passing in Chronological split Temporal Graphs (IMPaCT), a method that imposes invariant properties based on realistic assumptions derived from temporal graph structures. Unlike traditional domain adaptation approaches which rely on unverifiable assumptions, IMPaCT explicitly accounts for the characteristics of chronological splits. The IMPaCT is further supported by rigorous mathematical analysis, including a derivation of an upper bound of the generalization error. Experimentally, IMPaCT achieves a 3.8% performance improvement over current SOTA method on the ogbn-mag graph dataset. Additionally, we introduce the Temporal Stochastic Block Model (TSBM), which replicates temporal graphs under varying conditions, demonstrating the applicability of our methods to general spatial GNNs.
Authors: Jintao Zhang, Haofeng Huang, Pengle Zhang, Jia Wei, Jun Zhu, Jianfei Chen
Abstract: Although quantization for linear layers has been widely used, its application to accelerate the attention process remains limited. SageAttention utilizes 8-bit matrix multiplication, 16-bit matrix multiplication with 16-bit accumulator, and precision-enhancing methods, implementing an accurate and 2x speedup kernel compared to FlashAttention2. To further enhance the efficiency of attention computation while maintaining precision, we propose SageAttention2, which utilizes significantly faster 4-bit matrix multiplication (Matmul) alongside additional precision-enhancing techniques. First, we propose to quantize matrixes $(Q, K)$ to INT4 in a warp-level granularity and quantize matrixes $(\widetilde P, V)$ to FP8. Second, we propose a method to smooth $Q$ and $V$, enhancing the accuracy of attention with INT4 $QK$ and FP8 $PV$. Third, we analyze the quantization accuracy across timesteps and layers, then propose an adaptive quantization method to ensure the end-to-end metrics over various models. The operations per second (OPS) of SageAttention2 surpass FlashAttention2 and xformers by about 3x and 5x on RTX4090, respectively. Comprehensive experiments confirm that our approach incurs negligible end-to-end metrics loss across diverse models, including those for large language processing, image generation, and video generation. The codes are available at https://github.com/thu-ml/SageAttention.
Authors: Agus Sudjianto, Yueyang Shen, Arun Prakash R, Anwesha Bhattacharyya, Maorong Rao, Yaqun Wang, Joel Vaughan, Nengfeng Zhou
Abstract: We propose and study a minimalist approach towards synthetic tabular data generation. The model consists of a minimalistic unsupervised SparsePCA encoder (with contingent clustering step or log transformation to handle nonlinearity) and XGboost decoder which is SOTA for structured data regression and classification tasks. We study and contrast the methodologies with (variational) autoencoders in several toy low dimensional scenarios to derive necessary intuitions. The framework is applied to high dimensional simulated credit scoring data which parallels real-life financial applications. We applied the method to robustness testing to demonstrate practical use cases. The case study result suggests that the method provides an alternative to raw and quantile perturbation for model robustness testing. We show that the method is simplistic, guarantees interpretability all the way through, does not require extra tuning and provide unique benefits.
Authors: Rui Zhao, Bin Shi, Zhiming Liang, Jianfei Ruan, Bo Dong, Lu Lin
Abstract: Graph Neural Networks (GNNs) have been widely employed for semi-supervised node classification tasks on graphs. However, the performance of GNNs is significantly affected by label noise, that is, a small amount of incorrectly labeled nodes can substantially misguide model training. Mainstream solutions define node classification with label noise (NCLN) as a reliable labeling task, often introducing node similarity with quadratic computational complexity to more accurately assess label reliability. To this end, in this paper, we introduce the Label Ensemble Graph Neural Network (LEGNN), a lower complexity method for robust GNNs training against label noise. LEGNN reframes NCLN as a label ensemble task, gathering informative multiple labels instead of constructing a single reliable label, avoiding high-complexity computations for reliability assessment. Specifically, LEGNN conducts a two-step process: bootstrapping neighboring contexts and robust learning with gathered multiple labels. In the former step, we apply random neighbor masks for each node and gather the predicted labels as a high-probability label set. This mitigates the impact of inaccurately labeled neighbors and diversifies the label set. In the latter step, we utilize a partial label learning based strategy to aggregate the high-probability label information for model training. Additionally, we symmetrically gather a low-probability label set to counteract potential noise from the bootstrapped high-probability label set. Extensive experiments on six datasets demonstrate that LEGNN achieves outstanding performance while ensuring efficiency. Moreover, it exhibits good scalability on dataset with over one hundred thousand nodes and one million edges.
Authors: Saleh Ashkboos, Bram Verhoef, Torsten Hoefler, Evangelos Eleftheriou, Martino Dazzi
Abstract: Quantization-aware training (QAT) schemes have been shown to achieve near-full precision accuracy. They accomplish this by training a quantized model for multiple epochs. This is computationally expensive, mainly because of the full precision backward pass. On the other hand, post-training quantization (PTQ) schemes do not involve training and are therefore computationally cheap, but they usually result in a significant accuracy drop. We address these challenges by proposing EfQAT, which generalizes both schemes by optimizing only a subset of the parameters of a quantized model. EfQAT starts by applying a PTQ scheme to a pre-trained model and only updates the most critical network parameters while freezing the rest, accelerating the backward pass. We demonstrate the effectiveness of EfQAT on various CNNs and Transformer-based models using different GPUs. Specifically, we show that EfQAT is significantly more accurate than PTQ with little extra compute. Furthermore, EfQAT can accelerate the QAT backward pass between 1.44-1.64x while retaining most accuracy.
Authors: Yu Jiang, Chee Wei Tan, Kwok-Yan Lam
Abstract: Federated learning facilitates collaborative machine learning, enabling multiple participants to collectively develop a shared model while preserving the privacy of individual data. The growing importance of the "right to be forgotten" calls for effective mechanisms to facilitate data removal upon request. In response, federated unlearning (FU) has been developed to efficiently eliminate the influence of specific data from the model. Current FU methods primarily rely on approximate unlearning strategies, which seek to balance data removal efficacy with computational and communication costs, but often fail to completely erase data influence. To address these limitations, we propose FedUHB, a novel exact unlearning approach that leverages the Polyak heavy ball optimization technique, a first-order method, to achieve rapid retraining. In addition, we introduce a dynamic stopping mechanism to optimize the termination of the unlearning process. Our extensive experiments show that FedUHB not only enhances unlearning efficiency but also preserves robust model performance after unlearning. Furthermore, the dynamic stopping mechanism effectively reduces the number of unlearning iterations, conserving both computational and communication resources. FedUHB can be proved as an effective and efficient solution for exact data removal in federated learning settings.
Authors: Shubham Tanaji Kakde, Rony Mitra, Jasashwi Mandal, Manoj Kumar Tiwari
Abstract: Multivariate Long Sequence Time-series Forecasting (LSTF) has been a critical task across various real-world applications. Recent advancements focus on the application of transformer architectures attributable to their ability to capture temporal patterns effectively over extended periods. However, these approaches often overlook the inherent relationships and interactions between the input variables that could be drawn from their characteristic properties. In this paper, we aim to bridge this gap by integrating information-rich Knowledge Graph Embeddings (KGE) with state-of-the-art transformer-based architectures. We introduce a novel approach that encapsulates conceptual relationships among variables within a well-defined knowledge graph, forming dynamic and learnable KGEs for seamless integration into the transformer architecture. We investigate the influence of this integration into seminal architectures such as PatchTST, Autoformer, Informer, and Vanilla Transformer. Furthermore, we thoroughly investigate the performance of these knowledge-enhanced architectures along with their original implementations for long forecasting horizons and demonstrate significant improvement in the benchmark results. This enhancement empowers transformer-based architectures to address the inherent structural relation between variables. Our knowledge-enhanced approach improves the accuracy of multivariate LSTF by capturing complex temporal and relational dynamics across multiple domains. To substantiate the validity of our model, we conduct comprehensive experiments using Weather and Electric Transformer Temperature (ETT) datasets.
Authors: Ortal Ashkenazi, Elad Yom-Tov, Liron Vardi David
Abstract: Screening questionnaires are used in medicine as a diagnostic aid. Creating them is a long and expensive process, which could potentially be improved through analysis of social media posts related to symptoms and behaviors prior to diagnosis. Here we show a preliminary investigation into the feasibility of generating screening questionnaires for a given medical condition from social media postings. The method first identifies a cohort of relevant users through their posts in dedicated patient groups and a control group of users who reported similar symptoms but did not report being diagnosed with the condition of interest. Posts made prior to diagnosis are used to generate decision rules to differentiate between the different groups, by clustering symptoms mentioned by these users and training a decision tree to differentiate between the two groups. We validate the generated rules by correlating them with scores given by medical doctors to matching hypothetical cases. We demonstrate the proposed method by creating questionnaires for three conditions (endometriosis, lupus, and gout) using the data of several hundreds of users from Reddit. These questionnaires were then validated by medical doctors. The average Pearson's correlation between the latter's scores and the decision rules were 0.58 (endometriosis), 0.40 (lupus) and 0.27 (gout). Our results suggest that the process of questionnaire generation can be, at least partly, automated. These questionnaires are advantageous in that they are based on real-world experience but are currently lacking in their ability to capture the context, duration, and timing of symptoms.
Authors: Ting Zhu, Yue Jin, Jeremie Houssineau, Giovanni Montana
Abstract: In decentralized multi-agent reinforcement learning, agents learning in isolation can lead to relative over-generalization (RO), where optimal joint actions are undervalued in favor of suboptimal ones. This hinders effective coordination in cooperative tasks, as agents tend to choose actions that are individually rational but collectively suboptimal. To address this issue, we introduce MaxMax Q-Learning (MMQ), which employs an iterative process of sampling and evaluating potential next states, selecting those with maximal Q-values for learning. This approach refines approximations of ideal state transitions, aligning more closely with the optimal joint policy of collaborating agents. We provide theoretical analysis supporting MMQ's potential and present empirical evaluations across various environments susceptible to RO. Our results demonstrate that MMQ frequently outperforms existing baselines, exhibiting enhanced convergence and sample efficiency.
Authors: Prakhar Ganeesh, Usman Gohar, Lu Cheng, Golnoosh Farnadi
Abstract: With fairness concerns gaining significant attention in Machine Learning (ML), several bias mitigation techniques have been proposed, often compared against each other to find the best method. These benchmarking efforts tend to use a common setup for evaluation under the assumption that providing a uniform environment ensures a fair comparison. However, bias mitigation techniques are sensitive to hyperparameter choices, random seeds, feature selection, etc., meaning that comparison on just one setting can unfairly favour certain algorithms. In this work, we show significant variance in fairness achieved by several algorithms and the influence of the learning pipeline on fairness scores. We highlight that most bias mitigation techniques can achieve comparable performance, given the freedom to perform hyperparameter optimization, suggesting that the choice of the evaluation parameters-rather than the mitigation technique itself-can sometimes create the perceived superiority of one method over another. We hope our work encourages future research on how various choices in the lifecycle of developing an algorithm impact fairness, and trends that guide the selection of appropriate algorithms.
Authors: Depeng Chen (School of Computer Science,Technology, Anhui University), Xiao Liu (School of Computer Science,Technology, Anhui University), Jie Cui (School of Computer Science,Technology, Anhui University), Hong Zhong (School of Computer Science,Technology, Anhui University)
Abstract: Since machine learning model is often trained on a limited data set, the model is trained multiple times on the same data sample, which causes the model to memorize most of the training set data. Membership Inference Attacks (MIAs) exploit this feature to determine whether a data sample is used for training a machine learning model. However, in realistic scenarios, it is difficult for the adversary to obtain enough qualified samples that mark accurate identity information, especially since most samples are non-members in real world applications. To address this limitation, in this paper, we propose a new attack method called CLMIA, which uses unsupervised contrastive learning to train an attack model without using extra membership status information. Meanwhile, in CLMIA, we require only a small amount of data with known membership status to fine-tune the attack model. Experimental results demonstrate that CLMIA performs better than existing attack methods for different datasets and model structures, especially with data with less marked identity information. In addition, we experimentally find that the attack performs differently for different proportions of labeled identity information for member and non-member data. More analysis proves that our attack method performs better with less labeled identity information, which applies to more realistic scenarios.
Authors: Suiyao Chen, Jing Wu, Yunxiao Wang, Cheng Ji, Tianpei Xie, Daniel Cociorva, Michael Sharps, Cecile Levasseur, Hakan Brunzell
Abstract: Representation learning is a fundamental aspect of modern artificial intelligence, driving substantial improvements across diverse applications. While selfsupervised contrastive learning has led to significant advancements in fields like computer vision and natural language processing, its adaptation to tabular data presents unique challenges. Traditional approaches often prioritize optimizing model architecture and loss functions but may overlook the crucial task of constructing meaningful positive and negative sample pairs from various perspectives like feature interactions, instance-level patterns and batch-specific contexts. To address these challenges, we introduce TabDeco, a novel method that leverages attention-based encoding strategies across both rows and columns and employs contrastive learning framework to effectively disentangle feature representations at multiple levels, including features, instances and data batches. With the innovative feature decoupling hierarchies, TabDeco consistently surpasses existing deep learning methods and leading gradient boosting algorithms, including XG-Boost, CatBoost, and LightGBM, across various benchmark tasks, underscoring its effectiveness in advancing tabular data representation learning.
Authors: Konstantinos Bougiatiotis, Georgios Paliouras
Abstract: Multi-relational networks capture intricate relationships in data and have diverse applications across fields such as biomedical, financial, and social sciences. As networks derived from increasingly large datasets become more common, identifying efficient methods for representing and analyzing them becomes crucial. This work extends the Prime Adjacency Matrices (PAMs) framework, which employs prime numbers to represent distinct relations within a network uniquely. This enables a compact representation of a complete multi-relational graph using a single adjacency matrix, which, in turn, facilitates quick computation of multi-hop adjacency matrices. In this work, we enhance the framework by introducing a lossless algorithm for calculating the multi-hop matrices and propose the Bag of Paths (BoP) representation, a versatile feature extraction methodology for various graph analytics tasks, at the node, edge, and graph level. We demonstrate the efficiency of the framework across various tasks and datasets, showing that simple BoP-based models perform comparably to or better than commonly used neural models while offering improved speed and interpretability.
Authors: K\"ur\c{s}at Tekb{\i}y{\i}k, G\"une\c{s} Karabulut Kurt, Antoine Lesage-Landry
Abstract: The increasing demand for data usage in wireless communications requires using wider bands in the spectrum, especially for backhaul links. Yet, allocations in the spectrum for non-communication systems inhibit merging bands to achieve wider bandwidth. To overcome this issue, spectrum-sharing or opportunistic spectrum utilization by secondary users stands out as a promising solution. However, both approaches must minimize interference to primary users. Therefore, spectrum sensing becomes vital for such opportunistic usage, ensuring the proper operation of the primary users. Although this problem has been investigated for 2D networks, unmanned aerial vehicle (UAV) networks need different points of view concerning 3D space, its challenges, and opportunities. For this purpose, we propose a federated learning (FL)-based method for spectrum sensing in UAV networks to account for their distributed nature and limited computational capacity. FL enables local training without sharing raw data while guaranteeing the privacy of local users,lowering communication overhead, and increasing data diversity. Furthermore, we develop a federated aggregation method, namely FedSNR, that considers the signal-to-noise ratio observed by UAVs to acquire a global model. The numerical results show that the proposed architecture and the aggregation method outperform traditional methods.
Authors: Eric Yang, Pengfei Hu, Xiaoxue Han, Yue Ning
Abstract: The adoption of digital systems in healthcare has resulted in the accumulation of vast electronic health records (EHRs), offering valuable data for machine learning methods to predict patient health outcomes. However, single-visit records of patients are often neglected in the training process due to the lack of annotations of next-visit information, thereby limiting the predictive and expressive power of machine learning models. In this paper, we present a novel framework MPLite that utilizes Multi-aspect Pretraining with Lab results through a light-weight neural network to enhance medical concept representation and predict future health outcomes of individuals. By incorporating both structured medical data and additional information from lab results, our approach fully leverages patient admission records. We design a pretraining module that predicts medical codes based on lab results, ensuring robust prediction by fusing multiple aspects of features. Our experimental evaluation using both MIMIC-III and MIMIC-IV datasets demonstrates improvements over existing models in diagnosis prediction and heart failure prediction tasks, achieving a higher weighted-F1 and recall with MPLite. This work reveals the potential of integrating diverse aspects of data to advance predictive modeling in healthcare.
Authors: Jiawei Zhang
Abstract: This paper builds upon our previous work on the Reconciled Polynomial Network (RPN). The original RPN model was designed under the assumption of input data independence, presuming the independence among both individual instances within data batches and attributes in each data instance. However, this assumption often proves invalid for function learning tasks involving complex, interdependent data such as language, images, time series, and graphs. Ignoring such data interdependence may inevitably lead to significant performance degradation. To overcome these limitations, we introduce the new Reconciled Polynomial Network (version 2), namely RPN 2, in this paper. By incorporating data and structural interdependence functions, RPN 2 explicitly models data interdependence via new component functions in its architecture. This enhancement not only significantly improves RPN 2's learning performance but also substantially expands its unifying potential, enabling it to encompass a broader range of contemporary dominant backbone models within its canonical representation. These backbones include, but are not limited to, convolutional neural networks (CNNs), recurrent neural networks (RNNs), graph neural networks (GNNs), and Transformers. Our analysis reveals that the fundamental distinctions among these backbone models primarily stem from their diverse approaches to defining the interdependence functions. Furthermore, this unified representation opens up new opportunities for designing innovative architectures with the potential to surpass the performance of these dominant backbones.
Authors: Gautam Chandrasekaran, Adam Klivans
Abstract: We consider the fundamental problem of learning the parameters of an undirected graphical model or Markov Random Field (MRF) in the setting where the edge weights are chosen at random. For Ising models, we show that a multiplicative-weight update algorithm due to Klivans and Meka learns the parameters in polynomial time for any inverse temperature $\beta \leq \sqrt{\log n}$. This immediately yields an algorithm for learning the Sherrington-Kirkpatrick (SK) model beyond the high-temperature regime of $\beta < 1$. Prior work breaks down at $\beta = 1$ and requires heavy machinery from statistical physics or functional inequalities. In contrast, our analysis is relatively simple and uses only subgaussian concentration. Our results extend to MRFs of higher order (such as pure $p$-spin models), where even results in the high-temperature regime were not known.
Authors: Maximilian Fleissner, Gautham Govind Anil, Debarghya Ghoshdastidar
Abstract: The NTK is a widely used tool in the theoretical analysis of deep learning, allowing us to look at supervised deep neural networks through the lenses of kernel regression. Recently, several works have investigated kernel models for self-supervised learning, hypothesizing that these also shed light on the behaviour of wide neural networks by virtue of the NTK. However, it remains an open question to what extent this connection is mathematically sound -- it is a commonly encountered misbelief that the kernel behaviour of wide neural networks emerges irrespective of the loss function it is trained on. In this paper, we bridge the gap between the NTK and self-supervised learning, focusing on two-layer neural networks trained under the Barlow Twins loss. We prove that the NTK of Barlow Twins indeed becomes constant as the width of the network approaches infinity. Our analysis technique is different from previous works on the NTK and may be of independent interest. Overall, our work provides a first rigorous justification for the use of classic kernel theory to understand self-supervised learning of wide neural networks. Building on this result, we derive generalization error bounds for kernelized Barlow Twins and connect them to neural networks of finite width.
Authors: Jake Grigsby, Justin Sasek, Samyak Parajuli, Daniel Adebi, Amy Zhang, Yuke Zhu
Abstract: Language models trained on diverse datasets unlock generalization by in-context learning. Reinforcement Learning (RL) policies can achieve a similar effect by meta-learning within the memory of a sequence model. However, meta-RL research primarily focuses on adapting to minor variations of a single task. It is difficult to scale towards more general behavior without confronting challenges in multi-task optimization, and few solutions are compatible with meta-RL's goal of learning from large training sets of unlabeled tasks. To address this challenge, we revisit the idea that multi-task RL is bottlenecked by imbalanced training losses created by uneven return scales across different tasks. We build upon recent advancements in Transformer-based (in-context) meta-RL and evaluate a simple yet scalable solution where both an agent's actor and critic objectives are converted to classification terms that decouple optimization from the current scale of returns. Large-scale comparisons in Meta-World ML45, Multi-Game Procgen, Multi-Task POPGym, Multi-Game Atari, and BabyAI find that this design unlocks significant progress in online multi-task adaptation and memory problems without explicit task labels.
Authors: Minhua Lin, Enyan Dai, Junjie Xu, Jinyuan Jia, Xiang Zhang, Suhang Wang
Abstract: Graph Neural Networks (GNNs) have shown promising results in modeling graphs in various tasks. The training of GNNs, especially on specialized tasks such as bioinformatics, demands extensive expert annotations, which are expensive and usually contain sensitive information of data providers. The trained GNN models are often shared for deployment in the real world. As neural networks can memorize the training samples, the model parameters of GNNs have a high risk of leaking private training data. Our theoretical analysis shows the strong connections between trained GNN parameters and the training graphs used, confirming the training graph leakage issue. However, explorations into training data leakage from trained GNNs are rather limited. Therefore, we investigate a novel problem of stealing graphs from trained GNNs. To obtain high-quality graphs that resemble the target training set, a graph diffusion model with diffusion noise optimization is deployed as a graph generator. Furthermore, we propose a selection method that effectively leverages GNN model parameters to identify training graphs from samples generated by the graph diffusion model. Extensive experiments on real-world datasets demonstrate the effectiveness of the proposed framework in stealing training graphs from the trained GNN.
Authors: Kanishka Tyagi, Chinmay Rane, Ketaki Vaidya, Jeshwanth Challgundla, Soumitro Swapan Auddy, Michael Manry
Abstract: This study presents a comparative analysis of two objective functions, Mean Squared Error (MSE) and Softmax Cross-Entropy (SCE) for neural network classification tasks. While SCE combined with softmax activation is the conventional choice for transforming network outputs into class probabilities, we explore an alternative approach using MSE with sigmoid activation. We introduce the Output Reset algorithm, which reduces inconsistent errors and enhances classifier robustness. Through extensive experiments on benchmark datasets (MNIST, CIFAR-10, and Fashion-MNIST), we demonstrate that MSE with sigmoid activation achieves comparable accuracy and convergence rates to SCE, while exhibiting superior performance in scenarios with noisy data. Our findings indicate that MSE, despite its traditional association with regression tasks, serves as a viable alternative for classification problems, challenging conventional wisdom about neural network training strategies.
Authors: Betty Shea, Mark Schmidt
Abstract: The value of second-order methods lies in the use of curvature information. Yet, this information is costly to extract and once obtained, valuable negative curvature information is often discarded so that the method is globally convergent. This limits the effectiveness of second-order methods in modern machine learning. In this paper, we show that second-order and second-order-like methods are promising optimizers for neural networks provided that we add one ingredient: negative step sizes. We show that under very general conditions, methods that produce ascent directions are globally convergent when combined with a Wolfe line search that allows both positive and negative step sizes. We experimentally demonstrate that using negative step sizes is often more effective than common Hessian modification methods.
Authors: Ilias Diakonikolas, Lisheng Ren, Nikos Zarifis
Abstract: We study the problem of PAC learning halfspaces in the reliable agnostic model of Kalai et al. (2012). The reliable PAC model captures learning scenarios where one type of error is costlier than the others. Our main positive result is a new algorithm for reliable learning of Gaussian halfspaces on $\mathbb{R}^d$ with sample and computational complexity $$d^{O(\log (\min\{1/\alpha, 1/\epsilon\}))}\min (2^{\log(1/\epsilon)^{O(\log (1/\alpha))}},2^{\mathrm{poly}(1/\epsilon)})\;,$$ where $\epsilon$ is the excess error and $\alpha$ is the bias of the optimal halfspace. We complement our upper bound with a Statistical Query lower bound suggesting that the $d^{\Omega(\log (1/\alpha))}$ dependence is best possible. Conceptually, our results imply a strong computational separation between reliable agnostic learning and standard agnostic learning of halfspaces in the Gaussian setting.
Authors: Akash Kumar, Mikhail Belkin, Parthe Pandit
Abstract: Recent advances in machine learning have led to increased interest in reproducing kernel Banach spaces (RKBS) as a more general framework that extends beyond reproducing kernel Hilbert spaces (RKHS). These works have resulted in the formulation of representer theorems under several regularized learning schemes. However, little is known about an optimization method that encompasses these results in this setting. This paper addresses a learning problem on Banach spaces endowed with a reproducing kernel, focusing on efficient optimization within RKBS. To tackle this challenge, we propose an algorithm based on mirror descent (MDA). Our approach involves an iterative method that employs gradient steps in the dual space of the Banach space using the reproducing kernel. We analyze the convergence properties of our algorithm under various assumptions and establish two types of results: first, we identify conditions under which a linear convergence rate is achievable, akin to optimization in the Euclidean setting, and provide a proof of the linear rate; second, we demonstrate a standard convergence rate in a constrained setting. Moreover, to instantiate this algorithm in practice, we introduce a novel family of RKBSs with $p$-norm ($p \neq 2$), characterized by both an explicit dual map and a kernel.
Authors: Onur Vural, Shah Muhammad Hamdi, Soukaina Filali Boubrahimi
Abstract: In heliophysics research, predicting solar flares is crucial due to their potential to impact both space-based systems and Earth's infrastructure substantially. Magnetic field data from solar active regions, recorded by solar imaging observatories, are transformed into multivariate time series to enable solar flare prediction using temporal window-based analysis. In the realm of multivariate time series-driven solar flare prediction, addressing severe class imbalance with effective strategies for multivariate time series representation learning is key to developing robust predictive models. Traditional methods often struggle with overfitting to the majority class in prediction tasks where major solar flares are infrequent. This work presents EXCON, a contrastive representation learning framework designed to enhance classification performance amidst such imbalances. EXCON operates through four stages: obtaining core features from multivariate time series data; selecting distinctive contrastive representations for each class to maximize inter-class separation; training a temporal feature embedding module with a custom extreme reconstruction loss to minimize intra-class variation; and applying a classifier to the learned embeddings for robust classification. The proposed method leverages contrastive learning principles to map similar instances closer in the feature space while distancing dissimilar ones, a strategy not extensively explored in solar flare prediction tasks. This approach not only addresses class imbalance but also offers a versatile solution applicable to univariate and multivariate time series across binary and multiclass classification problems. Experimental results, including evaluations on the benchmark solar flare dataset and multiple time series archive datasets with binary and multiclass labels, demonstrate EXCON's efficacy in enhancing classification performance.
Authors: Hechuan Wen, Tong Chen, Guanhua Ye, Li Kheng Chai, Shazia Sadiq, Hongzhi Yin
Abstract: Causal effect estimation (CEE) provides a crucial tool for predicting the unobserved counterfactual outcome for an entity. As CEE relaxes the requirement for ``perfect'' counterfactual samples (e.g., patients with identical attributes and only differ in treatments received) that are impractical to obtain and can instead operate on observational data, it is usually used in high-stake domains like medical treatment effect prediction. Nevertheless, in those high-stake domains, gathering a decently sized, fully labelled observational dataset remains challenging due to hurdles associated with costs, ethics, expertise and time needed, etc., of which medical treatment surveys are a typical example. Consequently, if the training dataset is small in scale, low generalization risks can hardly be achieved on any CEE algorithms. Unlike existing CEE methods that assume the constant availability of a dataset with abundant samples, in this paper, we study a more realistic CEE setting where the labelled data samples are scarce at the beginning, while more can be gradually acquired over the course of training -- assuredly under a limited budget considering their expensive nature. Then, the problem naturally comes down to actively selecting the best possible samples to be labelled, e.g., identifying the next subset of patients to conduct the treatment survey. However, acquiring quality data for reducing the CEE risk under limited labelling budgets remains under-explored until now. To fill the gap, we theoretically analyse the generalization risk from an intriguing perspective of progressively shrinking its upper bound, and develop a principled label acquisition pipeline exclusively for CEE tasks. With our analysis, we propose the Model Agnostic Causal Active Learning (MACAL) algorithm for batch-wise label acquisition, which aims to reduce both the CEE model's uncertainty and the post-acquisition ...
Authors: Qian Chang, Xia Li, Xiufeng Cheng
Abstract: In this work, we propose Graph Retention Network as a unified architecture for deep learning on dynamic graphs. The GRN extends the core computational manner of retention to dynamic graph data as graph retention, which empowers the model with three key computational paradigms that enable training parallelism, $O(1)$ low-cost inference, and long-term batch training. This architecture achieves an optimal balance of effectiveness, efficiency, and scalability. Extensive experiments conducted on benchmark datasets present the superior performance of the GRN in both edge-level prediction and node-level classification tasks. Our architecture achieves cutting-edge results while maintaining lower training latency, reduced GPU memory consumption, and up to an 86.7x improvement in inference throughput compared to baseline models. The GRNs have demonstrated strong potential to become a widely adopted architecture for dynamic graph learning tasks. Code will be available at https://github.com/Chandler-Q/GraphRetentionNet.
Authors: Thanh V. T. Tran, Nhat Khang Ngo, Viet Anh Nguyen, Truong Son Hy
Abstract: Latent space optimization (LSO) is a powerful method for designing discrete, high-dimensional biological sequences that maximize expensive black-box functions, such as wet lab experiments. This is accomplished by learning a latent space from available data and using a surrogate model to guide optimization algorithms toward optimal outputs. However, existing methods struggle when labeled data is limited, as training the surrogate model with few labeled data points can lead to subpar outputs, offering no advantage over the training data itself. We address this challenge by introducing GROOT, a Graph-based Latent Smoothing for Biological Sequence Optimization. In particular, GROOT generates pseudo-labels for neighbors sampled around the training latent embeddings. These pseudo-labels are then refined and smoothed by Label Propagation. Additionally, we theoretically and empirically justify our approach, demonstrate GROOT's ability to extrapolate to regions beyond the training set while maintaining reliability within an upper bound of their expected distances from the training regions. We evaluate GROOT on various biological sequence design tasks, including protein optimization (GFP and AAV) and three tasks with exact oracles from Design-Bench. The results demonstrate that GROOT equalizes and surpasses existing methods without requiring access to black-box oracles or vast amounts of labeled data, highlighting its practicality and effectiveness. We release our code at https://anonymous.4open.science/r/GROOT-D554
Authors: Mehdi Neshat, Michael Phipps, Nikhil Jha, Danial Khojasteh, Michael Tong, Amir Gandomi
Abstract: Over an extensive duration, administrators and clinicians have endeavoured to predict Emergency Department (ED) visits with precision, aiming to optimise resource distribution. Despite the proliferation of diverse AI-driven models tailored for precise prognostication, this task persists as a formidable challenge, besieged by constraints such as restrained generalisability, susceptibility to overfitting and underfitting, scalability issues, and complex fine-tuning hyper-parameters. In this study, we introduce a novel Meta-learning Gradient Booster (Meta-ED) approach for precisely forecasting daily ED visits and leveraging a comprehensive dataset of exogenous variables, including socio-demographic characteristics, healthcare service use, chronic diseases, diagnosis, and climate parameters spanning 23 years from Canberra Hospital in ACT, Australia. The proposed Meta-ED consists of four foundational learners-Catboost, Random Forest, Extra Tree, and lightGBoost-alongside a dependable top-level learner, Multi-Layer Perceptron (MLP), by combining the unique capabilities of varied base models (sub-learners). Our study assesses the efficacy of the Meta-ED model through an extensive comparative analysis involving 23 models. The evaluation outcomes reveal a notable superiority of Meta-ED over the other models in accuracy at 85.7% (95% CI ;85.4%, 86.0%) and across a spectrum of 10 evaluation metrics. Notably, when compared with prominent techniques, XGBoost, Random Forest (RF), AdaBoost, LightGBoost, and Extra Tree (ExT), Meta-ED showcases substantial accuracy enhancements of 58.6%, 106.3%, 22.3%, 7.0%, and 15.7%, respectively. Furthermore, incorporating weather-related features demonstrates a 3.25% improvement in the prediction accuracy of visitors' numbers. The encouraging outcomes of our study underscore Meta-ED as a foundation model for the precise prediction of daily ED visitors.
Authors: Jongmin Park, Seunghoon Han, Jong-Ryul Lee, Sungsu Lim
Abstract: To leverage the complex structures within heterogeneous graphs, recent studies on heterogeneous graph embedding use a hyperbolic space, characterized by a constant negative curvature and exponentially increasing space, which aligns with the structural properties of heterogeneous graphs. However, despite heterogeneous graphs inherently possessing diverse power-law structures, most hyperbolic heterogeneous graph embedding models use a single hyperbolic space for the entire heterogeneous graph, which may not effectively capture the diverse power-law structures within the heterogeneous graph. To address this limitation, we propose Multi-hyperbolic Space-based heterogeneous Graph Attention Network (MSGAT), which uses multiple hyperbolic spaces to effectively capture diverse power-law structures within heterogeneous graphs. We conduct comprehensive experiments to evaluate the effectiveness of MSGAT. The experimental results demonstrate that MSGAT outperforms state-of-the-art baselines in various graph machine learning tasks, effectively capturing the complex structures of heterogeneous graphs.
Authors: Yachao Yang, Yanfeng Sun, Jipeng Guo, Junbin Gao, Shaofan Wang, Fujiao Ju, Baocai Yin
Abstract: Graph Neural Networks (GNNs) have excelled in handling graph-structured data, attracting significant research interest. However, two primary challenges have emerged: interference between topology and attributes distorting node representations, and the low-pass filtering nature of most GNNs leading to the oversight of valuable high-frequency information in graph signals. These issues are particularly pronounced in heterophilic graphs. To address these challenges, we propose Dual-Frequency Filtering Self-aware Graph Neural Networks (DFGNN). DFGNN integrates low-pass and high-pass filters to extract smooth and detailed topological features, using frequency-specific constraints to minimize noise and redundancy in the respective frequency bands. The model dynamically adjusts filtering ratios to accommodate both homophilic and heterophilic graphs. Furthermore, DFGNN mitigates interference by aligning topological and attribute representations through dynamic correspondences between their respective frequency bands, enhancing overall model performance and expressiveness. Extensive experiments conducted on benchmark datasets demonstrate that DFGNN outperforms state-of-the-art methods in classification performance, highlighting its effectiveness in handling both homophilic and heterophilic graphs.
Authors: Yachao Yuan, Yu Huang, Yali Yuan, Jin Wang
Abstract: Semi-supervised learning holds a pivotal position in anomaly detection applications, yet identifying anomaly patterns with a limited number of labeled samples poses a significant challenge. Furthermore, the absence of interpretability poses major obstacles to the practical adoption of semi-supervised frameworks. The majority of existing interpretation techniques are tailored for supervised/unsupervised frameworks or non-security domains, falling short in providing dependable interpretations. In this research paper, we introduce SADDE, a general framework designed to accomplish two primary objectives: (1) to render the anomaly detection process interpretable and enhance the credibility of interpretation outcomes, and (2) to assign high-confidence pseudo labels to unlabeled samples, thereby boosting the performance of anomaly detection systems when supervised data is scarce. To achieve the first objective, we devise a cutting-edge interpretation method that utilizes both global and local interpreters to furnish trustworthy explanations. For the second objective, we conceptualize a novel two-stage semi-supervised learning framework tailored for network anomaly detection, ensuring that the model predictions of both stages align with specific constraints. We apply SADDE to two illustrative network anomaly detection tasks and conduct extensive evaluations in comparison with notable prior works. The experimental findings underscore that SADDE is capable of delivering precise detection results alongside dependable interpretations for semi-supervised network anomaly detection systems. The source code for SADDE is accessible at: https://github.com/M-Code-Space/SADDE.
Authors: Kyle O'Brien, David Majercak, Xavier Fernandes, Richard Edgar, Jingya Chen, Harsha Nori, Dean Carignan, Eric Horvitz, Forough Poursabzi-Sangde
Abstract: Responsible practices for deploying language models include guiding models to recognize and refuse answering prompts that are considered unsafe, while complying with safe prompts. Achieving such behavior typically requires updating model weights, which is costly and inflexible. We explore opportunities to steering model activations at inference time, which does not require updating weights. Using sparse autoencoders, we identify and steer features in Phi-3 Mini that mediate refusal behavior. We find that feature steering can improve Phi-3 Minis robustness to jailbreak attempts across various harms, including challenging multi-turn attacks. However, we discover that feature steering can adversely affect overall performance on benchmarks. These results suggest that identifying steerable mechanisms for refusal via sparse autoencoders is a promising approach for enhancing language model safety, but that more research is needed to mitigate feature steerings adverse effects on performance.
Authors: Gang Dang, Dainhui Wang
Abstract: Recurrent stochastic configuration networks (RSCNs) have shown promise in modelling nonlinear dynamic systems with order uncertainty due to their advantages of easy implementation, less human intervention, and strong approximation capability. This paper develops the original RSCNs with block increments, termed block RSCNs (BRSCNs), to further enhance the learning capacity and efficiency of the network. BRSCNs can simultaneously add multiple reservoir nodes (subreservoirs) during the construction. Each subreservoir is configured with a unique structure in the light of a supervisory mechanism, ensuring the universal approximation property. The reservoir feedback matrix is appropriately scaled to guarantee the echo state property of the network. Furthermore, the output weights are updated online using a projection algorithm, and the persistent excitation conditions that facilitate parameter convergence are also established. Numerical results over a time series prediction, a nonlinear system identification task, and two industrial data predictive analyses demonstrate that the proposed BRSCN performs favourably in terms of modelling efficiency, learning, and generalization performance, highlighting their significant potential for coping with complex dynamics.
Authors: Guochen Yan, Xunkai Li, Luyuan Xie, Wentao Zhang, Qingni Shen, Yuejian Fang, Zhonghai Wu
Abstract: Federated Graph Learning (FGL) has become a promising paradigm for collaborative training with distributed and private graph data. One-shot Federated Learning (OFL) enables collaboration in a single communication round to largely reduce communication costs and potential security concerns. However, existing OFL methods are not designed for graph data and existing FGL methods are ineffective within one communication round under both data and model heterogeneity. To mitigate this gap, we are the first to propose a one-shot personalized federated graph learning method for node classification, which is also compatible with the Secure Aggregation scheme. We estimate and aggregate the statistics of class-wise feature distribution to generate a global pseudo-graph on the server, which could be used to train a global graph model. Furthermore, We reveal the under-explored problem of existing personalized FGL methods that their personalized models are biased and neglect the ability to generalize to minorities. To achieve better personalization and generalization simultaneously, we propose a two-stage personalized training to adaptively utilize the personal information from local data and global information from the global pseudo-graph. Comprehensive experiments on 8 multi-scale graph datasets under different partitions with various settings demonstrate our superior performance over state-of-the-art baselines.
Authors: Haibo Zhang, Toru Nakamura, Takamasa Isohara, Kouichi Sakurai
Abstract: Recently, an increasing number of laws have governed the useability of users' privacy. For example, Article 17 of the General Data Protection Regulation (GDPR), the right to be forgotten, requires machine learning applications to remove a portion of data from a dataset and retrain it if the user makes such a request. Furthermore, from the security perspective, training data for machine learning models, i.e., data that may contain user privacy, should be effectively protected, including appropriate erasure. Therefore, researchers propose various privacy-preserving methods to deal with such issues as machine unlearning. This paper provides an in-depth review of the security and privacy concerns in machine learning models. First, we present how machine learning can use users' private data in daily life and the role that the GDPR plays in this problem. Then, we introduce the concept of machine unlearning by describing the security threats in machine learning models and how to protect users' privacy from being violated using machine learning platforms. As the core content of the paper, we introduce and analyze current machine unlearning approaches and several representative research results and discuss them in the context of the data lineage. Furthermore, we also discuss the future research challenges in this field.
Authors: Nathaniel Hanson, Philip Manke, Simon Birkholz, Maximilian M\"uhlbauer, Rene Heine, Arnd Brandes
Abstract: Machine learning is an important tool for analyzing high-dimension hyperspectral data; however, existing software solutions are either closed-source or inextensible research products. In this paper, we present cuvis.ai, an open-source and low-code software ecosystem for data acquisition, preprocessing, and model training. The package is written in Python and provides wrappers around common machine learning libraries, allowing both classical and deep learning models to be trained on hyperspectral data. The codebase abstracts processing interconnections and data dependencies between operations to minimize code complexity for users. This software package instantiates nodes in a directed acyclic graph to handle all stages of a machine learning ecosystem, from data acquisition, including live or static data sources, to final class assignment or property prediction. User-created models contain convenient serialization methods to ensure portability and increase sharing within the research community. All code and data are available online: https://github.com/cubert-hyperspectral/cuvis.ai
Authors: Zhihong Liu, Long Qian, Zeyang Liu, Lipeng Wan, Xingyu Chen, Xuguang Lan
Abstract: Decision Transformer (DT) can learn effective policy from offline datasets by converting the offline reinforcement learning (RL) into a supervised sequence modeling task, where the trajectory elements are generated auto-regressively conditioned on the return-to-go (RTG).However, the sequence modeling learning approach tends to learn policies that converge on the sub-optimal trajectories within the dataset, for lack of bridging data to move to better trajectories, even if the condition is set to the highest RTG.To address this issue, we introduce Diffusion-Based Trajectory Branch Generation (BG), which expands the trajectories of the dataset with branches generated by a diffusion model.The trajectory branch is generated based on the segment of the trajectory within the dataset, and leads to trajectories with higher returns.We concatenate the generated branch with the trajectory segment as an expansion of the trajectory.After expanding, DT has more opportunities to learn policies to move to better trajectories, preventing it from converging to the sub-optimal trajectories.Empirically, after processing with BG, DT outperforms state-of-the-art sequence modeling methods on D4RL benchmark, demonstrating the effectiveness of adding branches to the dataset without further modifications.
Authors: Ronghui Han, Duanyu Feng, Hongyu Du, Hao Wang
Abstract: Accurate time series forecasting, predicting future values based on past data, is crucial for diverse industries. Many current time series methods decompose time series into multiple sub-series, applying different model architectures and training with an end-to-end overall loss for forecasting. However, this raises a question: does this overall loss prioritize the importance of critical sub-series within the decomposition for the better performance? To investigate this, we conduct a study on the impact of overall loss on existing time series methods with sequence decomposition. Our findings reveal that overall loss may introduce bias in model learning, hindering the learning of the prioritization of more significant sub-series and limiting the forecasting performance. To address this, we propose a hybrid loss framework combining the global and component losses. This framework introduces component losses for each sub-series alongside the original overall loss. It employs a dual min-max algorithm to dynamically adjust weights between the overall loss and component losses, and within component losses. This enables the model to achieve better performance of current time series methods by focusing on more critical sub-series while still maintaining a low overall loss. We integrate our loss framework into several time series methods and evaluate the performance on multiple datasets. Results show an average improvement of 0.5-2% over existing methods without any modifications to the model architectures.
Authors: Wenlong Liao, Zhe Yang, Mengshuo Jia, Christian Rehtanz, Jiannong Fang, Fernando Port\'e-Agel
Abstract: Deep learning models have shown strong performance in load forecasting, but they generally require large amounts of data for model training before being applied to new scenarios, which limits their effectiveness in data-scarce scenarios. Inspired by the great success of pre-trained language models (LLMs) in natural language processing, this paper proposes a zero-shot load forecasting approach using an advanced LLM framework denoted as the Chronos model. By utilizing its extensive pre-trained knowledge, the Chronos model enables accurate load forecasting in data-scarce scenarios without the need for extensive data-specific training. Simulation results across five real-world datasets demonstrate that the Chronos model significantly outperforms nine popular baseline models for both deterministic and probabilistic load forecasting with various forecast horizons (e.g., 1 to 48 hours), even though the Chronos model is neither tailored nor fine-tuned to these specific load datasets. Notably, Chronos reduces root mean squared error (RMSE), continuous ranked probability score (CRPS), and quantile score (QS) by approximately 7.34%-84.30%, 19.63%-60.06%, and 22.83%-54.49%, respectively, compared to baseline models. These results highlight the superiority and flexibility of the Chronos model, positioning it as an effective solution in data-scarce scenarios.
Authors: Shengchao Hu, Yuhang Zhou, Ziqing Fan, Jifeng Hu, Li Shen, Ya Zhang, Dacheng Tao
Abstract: Training a generalizable agent to continually learn a sequence of tasks from offline trajectories is a natural requirement for long-lived agents, yet remains a significant challenge for current offline reinforcement learning (RL) algorithms. Specifically, an agent must be able to rapidly adapt to new tasks using newly collected trajectories (plasticity), while retaining knowledge from previously learned tasks (stability). However, systematic analyses of this setting are scarce, and it remains unclear whether conventional continual learning (CL) methods are effective in continual offline RL (CORL) scenarios. In this study, we develop the Offline Continual World benchmark and demonstrate that traditional CL methods struggle with catastrophic forgetting, primarily due to the unique distribution shifts inherent to CORL scenarios. To address this challenge, we introduce CompoFormer, a structure-based continual transformer model that adaptively composes previous policies via a meta-policy network. Upon encountering a new task, CompoFormer leverages semantic correlations to selectively integrate relevant prior policies alongside newly trained parameters, thereby enhancing knowledge sharing and accelerating the learning process. Our experiments reveal that CompoFormer outperforms conventional CL methods, particularly in longer task sequences, showcasing a promising balance between plasticity and stability.
Authors: Dmytro Lopushanskyy, Borun Shi
Abstract: Training graph neural networks on large datasets has long been a challenge. Traditional approaches include efficiently representing the whole graph in-memory, designing parameter efficient and sampling-based models, and graph partitioning in a distributed setup. Separately, graph databases with native graph storage and query engines have been developed, which enable time and resource efficient graph analytics workloads. We show how to directly train a GNN on a graph DB, by retrieving minimal data into memory and sampling using the query engine. Our experiments show resource advantages for single-machine and distributed training. Our approach opens up a new way of scaling GNNs as well as a new application area for graph DBs.
Authors: Salvatore Calderaro, Domenico Amato, Giosu\`e Lo Bosco, Riccardo Rizzo, Filippo Vella
Abstract: Graph Neural Networks (GNNs) are powerful models that can manage complex data sources and their interconnection links. One of GNNs' main drawbacks is their lack of interpretability, which limits their application in sensitive fields. In this paper, we introduce a new methodology involving graph communities to address the interpretability of graph classification problems. The proposed method, called GECo, exploits the idea that if a community is a subset of graph nodes densely connected, this property should play a role in graph classification. This is reasonable, especially if we consider the message-passing mechanism, which is the basic mechanism of GNNs. GECo analyzes the contribution to the classification result of the communities in the graph, building a mask that highlights graph-relevant structures. GECo is tested for Graph Convolutional Networks on six artificial and four real-world graph datasets and is compared to the main explainability methods such as PGMExplainer, PGExplainer, GNNExplainer, and SubgraphX using four different metrics. The obtained results outperform the other methods for artificial graph datasets and most real-world datasets.
Authors: Haizhou Ge, Ruixiang Wang, Zhu-ang Xu, Hongrui Zhu, Ruichen Deng, Yuhang Dong, Zeyu Pang, Guyue Zhou, Junyu Zhang, Lu Shi
Abstract: Advanced imitation learning with structures like the transformer is increasingly demonstrating its advantages in robotics. However, deploying these large-scale models on embedded platforms remains a major challenge. In this paper, we propose a pipeline that facilitates the migration of advanced imitation learning algorithms to edge devices. The process is achieved via an efficient model compression method and a practical asynchronous parallel method Temporal Ensemble with Dropped Actions (TEDA) that enhances the smoothness of operations. To show the efficiency of the proposed pipeline, large-scale imitation learning models are trained on a server and deployed on an edge device to complete various manipulation tasks.
Authors: Xikang Yang, Xuehai Tang, Jizhong Han, Songlin Hu
Abstract: The widespread deployment of large language models (LLMs) across various domains has showcased their immense potential while exposing significant safety vulnerabilities. A major concern is ensuring that LLM-generated content aligns with human values. Existing jailbreak techniques reveal how this alignment can be compromised through specific prompts or adversarial suffixes. In this study, we introduce a new threat: LLMs' bias toward authority. While this inherent bias can improve the quality of outputs generated by LLMs, it also introduces a potential vulnerability, increasing the risk of producing harmful content. Notably, the biases in LLMs is the varying levels of trust given to different types of authoritative information in harmful queries. For example, malware development often favors trust GitHub. To better reveal the risks with LLM, we propose DarkCite, an adaptive authority citation matcher and generator designed for a black-box setting. DarkCite matches optimal citation types to specific risk types and generates authoritative citations relevant to harmful instructions, enabling more effective jailbreak attacks on aligned LLMs.Our experiments show that DarkCite achieves a higher attack success rate (e.g., LLama-2 at 76% versus 68%) than previous methods. To counter this risk, we propose an authenticity and harm verification defense strategy, raising the average defense pass rate (DPR) from 11% to 74%. More importantly, the ability to link citations to the content they encompass has become a foundational function in LLMs, amplifying the influence of LLMs' bias toward authority.
Authors: Anmol Biswas, Sharvari Ashok Medhe, Raghav Singhal, Udayan Ganguly
Abstract: Reservoir computing (RC), is a class of computational methods such as Echo State Networks (ESN) and Liquid State Machines (LSM) describe a generic method to perform pattern recognition and temporal analysis with any non-linear system. This is enabled by Reservoir Computing being a shallow network model with only Input, Reservoir, and Readout layers where input and reservoir weights are not learned (only the readout layer is trained). LSM is a special case of Reservoir computing inspired by the organization of neurons in the brain and generally refers to spike-based Reservoir computing approaches. LSMs have been successfully used to showcase decent performance on some neuromorphic vision and speech datasets but a common problem associated with LSMs is that since the model is more-or-less fixed, the main way to improve the performance is by scaling up the Reservoir size, but that only gives diminishing rewards despite a tremendous increase in model size and computation. In this paper, we propose two approaches for effectively ensembling LSM models - Multi-Length Scale Reservoir Ensemble (MuLRE) and Temporal Excitation Partitioned Reservoir Ensemble (TEPRE) and benchmark them on Neuromorphic-MNIST (N-MNIST), Spiking Heidelberg Digits (SHD), and DVSGesture datasets, which are standard neuromorphic benchmarks. We achieve 98.1% test accuracy on N-MNIST with a 3600-neuron LSM model which is higher than any prior LSM-based approach and 77.8% test accuracy on the SHD dataset which is on par with a standard Recurrent Spiking Neural Network trained by Backprop Through Time (BPTT). We also propose receptive field-based input weights to the Reservoir to work alongside the Multi-Length Scale Reservoir ensemble model for vision tasks. Thus, we introduce effective means of scaling up the performance of LSM models and evaluate them against relevant neuromorphic benchmarks
Authors: Dou El Kefel Mansouri, Khalid Benabdeslem, Seif-Eddine Benkabou
Abstract: In this paper, we address the problem of feature selection in the context of multi-label learning, by using a new estimator based on implicit regularization and label embedding. Unlike the sparse feature selection methods that use a penalized estimator with explicit regularization terms such as $l_{2,1}$-norm, MCP or SCAD, we propose a simple alternative method via Hadamard product parameterization. In order to guide the feature selection process, a latent semantic of multi-label information method is adopted, as a label embedding. Experimental results on some known benchmark datasets suggest that the proposed estimator suffers much less from extra bias, and may lead to benign overfitting.
Authors: Hongjun Wang, Jiyuan Chen, Lingyu Zhang, Renhe Jiang, Xuan Song
Abstract: Spatiotemporal Graph Neural Networks (ST-GNNs) and Transformers have shown significant promise in traffic forecasting by effectively modeling temporal and spatial correlations. However, rapid urbanization in recent years has led to dynamic shifts in traffic patterns and travel demand, posing major challenges for accurate long-term traffic prediction. The generalization capability of ST-GNNs in extended temporal scenarios and cross-city applications remains largely unexplored. In this study, we evaluate state-of-the-art models on an extended traffic benchmark and observe substantial performance degradation in existing ST-GNNs over time, which we attribute to their limited inductive capabilities. Our analysis reveals that this degradation stems from an inability to adapt to evolving spatial relationships within urban environments. To address this limitation, we reconsider the design of adaptive embeddings and propose a Principal Component Analysis (PCA) embedding approach that enables models to adapt to new scenarios without retraining. We incorporate PCA embeddings into existing ST-GNN and Transformer architectures, achieving marked improvements in performance. Notably, PCA embeddings allow for flexibility in graph structures between training and testing, enabling models trained on one city to perform zero-shot predictions on other cities. This adaptability demonstrates the potential of PCA embeddings in enhancing the robustness and generalization of spatiotemporal models.
Authors: Juan Cardenas-Cartagena, Massimiliano Falzari, Marco Zullich, Matthia Sabatelli
Abstract: Model-Free Reinforcement Learning (RL) algorithms either learn how to map states to expected rewards or search for policies that can maximize a certain performance function. Model-Based algorithms instead, aim to learn an approximation of the underlying model of the RL environment and then use it in combination with planning algorithms. Upside-Down Reinforcement Learning (UDRL) is a novel learning paradigm that aims to learn how to predict actions from states and desired commands. This task is formulated as a Supervised Learning problem and has successfully been tackled by Neural Networks (NNs). In this paper, we investigate whether function approximation algorithms other than NNs can also be used within a UDRL framework. Our experiments, performed over several popular optimal control benchmarks, show that tree-based methods like Random Forests and Extremely Randomized Trees can perform just as well as NNs with the significant benefit of resulting in policies that are inherently more interpretable than NNs, therefore paving the way for more transparent, safe, and robust RL.
Authors: Omar Naim, Guilhem Fouilh\'e, Nicholas Asher
Abstract: In context learning (ICL) is an attractive method of solving a wide range of problems. Inspired by Garg et al. (2022), we look closely at ICL in a variety of train and test settings for several transformer models of different sizes trained from scratch. Our study complements prior work by pointing out several systematic failures of these models to generalize to data not in the training distribution, thereby showing some limitations of ICL. We find that models adopt a strategy for this task that is very different from standard solutions.
Authors: Amaury Wei, Olga Fink
Abstract: Rigid body interactions are fundamental to numerous scientific disciplines, but remain challenging to simulate due to their abrupt nonlinear nature and sensitivity to complex, often unknown environmental factors. These challenges call for adaptable learning-based methods capable of capturing complex interactions beyond explicit physical models and simulations. While graph neural networks can handle simple scenarios, they struggle with complex scenes and long-term predictions. We introduce a novel framework for modeling rigid body dynamics and learning collision interactions, addressing key limitations of existing graph-based methods. Our approach extends the traditional representation of meshes by incorporating higher-order topology complexes, offering a physically consistent representation. Additionally, we propose a physics-informed message-passing neural architecture, embedding physical laws directly in the model. Our method demonstrates superior accuracy, even during long rollouts, and exhibits strong generalization to unseen scenarios. Importantly, this work addresses the challenge of multi-entity dynamic interactions, with applications spanning diverse scientific and engineering domains.
Authors: Jingqi Zeng, Xiaobin Jia
Abstract: Traditional Chinese Medicine (TCM) involves complex compatibility mechanisms characterized by multi-component and multi-target interactions, which are challenging to quantify. To address this challenge, we applied graph artificial intelligence to develop a TCM multi-dimensional knowledge graph that bridges traditional TCM theory and modern biomedical science (https://zenodo.org/records/13763953 ). Using feature engineering and embedding, we processed key TCM terminology and Chinese herbal pieces (CHP), introducing medicinal properties as virtual nodes and employing graph neural networks with attention mechanisms to model and analyze 6,080 Chinese herbal formulas (CHF). Our method quantitatively assessed the roles of CHP within CHF and was validated using 215 CHF designed for COVID-19 management. With interpretable models, open-source data, and code (https://github.com/ZENGJingqi/GraphAI-for-TCM ), this study provides robust tools for advancing TCM theory and drug discovery.
URLs: https://zenodo.org/records/13763953, https://github.com/ZENGJingqi/GraphAI-for-TCM
Authors: Muhammad Saad Zia, Ashiq Anjum, Lu Liu, Anthony Conway, Anasol Pena Rios
Abstract: Physics Informed Machine Learning has emerged as a popular approach in modelling and simulation for digital twins to generate accurate models of processes and behaviours of real-world systems. However, despite their success in generating accurate and reliable models, the existing methods either use simple regularizations in loss functions to offer limited physics integration or are too specific in architectural definitions to be generalized to a wide variety of physical systems. This paper presents a generic approach based on a novel physics-encoded residual neural network architecture to combine data-driven and physics-based analytical models to address these limitations. Our method combines physics blocks as mathematical operators from physics-based models with learning blocks comprising feed-forward layers. Intermediate residual blocks are incorporated for stable gradient flow as they train on physical system observation data. This way, the model learns to comply with the geometric and kinematic aspects of the physical system. Compared to conventional neural network-based methods, our method improves generalizability with substantially low data requirements and model complexity in terms of parameters, especially in scenarios where prior physics knowledge is either elementary or incomplete. We investigate our approach in two application domains. The first is a basic robotic motion model using Euler Lagrangian equations of motion as physics prior. The second application is a complex scenario of a steering model for a self-driving vehicle in a simulation. In both applications, our method outperforms both conventional neural network based approaches as-well as state-of-the-art Physics Informed Machine Learning methods.
Authors: Th\'eophile Champion, Marek Grze\'s, Howard Bowman
Abstract: Model-based reinforcement learning refers to a set of approaches capable of sample-efficient decision making, which create an explicit model of the environment. This model can subsequently be used for learning optimal policies. In this paper, we propose a temporal Gaussian Mixture Model composed of a perception model and a transition model. The perception model extracts discrete (latent) states from continuous observations using a variational Gaussian mixture likelihood. Importantly, our model constantly monitors the collected data searching for new Gaussian components, i.e., the perception model performs a form of structure learning (Smith et al., 2020; Friston et al., 2018; Neacsu et al., 2022) as it learns the number of Gaussian components in the mixture. Additionally, the transition model learns the temporal transition between consecutive time steps by taking advantage of the Dirichlet-categorical conjugacy. Both the perception and transition models are able to forget part of the data points, while integrating the information they provide within the prior, which ensure fast variational inference. Finally, decision making is performed with a variant of Q-learning which is able to learn Q-values from beliefs over states. Empirically, we have demonstrated the model's ability to learn the structure of several mazes: the model discovered the number of states and the transition probabilities between these states. Moreover, using its learned Q-values, the agent was able to successfully navigate from the starting position to the maze's exit.
Authors: Sutanu Gayen, Sanket Kale, Sayantan Sen
Abstract: Learning high-dimensional distributions is a significant challenge in machine learning and statistics. Classical research has mostly concentrated on asymptotic analysis of such data under suitable assumptions. While existing works [Bhattacharyya et al.: SICOMP 2023, Daskalakis et al.: STOC 2021, Choo et al.: ALT 2024] focus on discrete distributions, the current work addresses the tree structure learning problem for Gaussian distributions, providing efficient algorithms with solid theoretical guarantees. This is crucial as real-world distributions are often continuous and differ from the discrete scenarios studied in prior works. In this work, we design a conditional mutual information tester for Gaussian random variables that can test whether two Gaussian random variables are independent, or their conditional mutual information is at least $\varepsilon$, for some parameter $\varepsilon \in (0,1)$ using $\mathcal{O}(\varepsilon^{-1})$ samples which we show to be near-optimal. In contrast, an additive estimation would require $\Omega(\varepsilon^{-2})$ samples. Our upper bound technique uses linear regression on a pair of suitably transformed random variables. Importantly, we show that the chain rule of conditional mutual information continues to hold for the estimated (conditional) mutual information. As an application of such a mutual information tester, we give an efficient $\varepsilon$-approximate structure-learning algorithm for an $n$-variate Gaussian tree model that takes $\widetilde{\Theta}(n\varepsilon^{-1})$ samples which we again show to be near-optimal. In contrast, when the underlying Gaussian model is not known to be tree-structured, we show that $\widetilde{{{\Theta}}}(n^2\varepsilon^{-2})$ samples are necessary and sufficient to output an $\varepsilon$-approximate tree structure. We perform extensive experiments that corroborate our theoretical convergence bounds.
Authors: Shuo Zhang, Jian K. Liu
Abstract: Protein language models (PLMs) are capable of learning the relationships between protein sequences and functions by treating amino acid sequences as textual data in a self-supervised manner. However, fine-tuning these models typically demands substantial computational resources and time, with results that may not always be optimized for specific tasks. To overcome these challenges, this study employs the LoRA method to perform end-to-end fine-tuning of the ESM-2 model specifically for protein property prediction tasks, utilizing only sequence information. Additionally, a multi-head attention mechanism is integrated into the downstream network to combine sequence features with contact map information, thereby enhancing the model's comprehension of protein sequences. Experimental results of extensive classification and regression tasks demonstrate that the fine-tuned model achieves strong performance and faster convergence across multiple regression and classification tasks.
Authors: Gabriele Immordino, Andrea Vaiuso, Andrea Da Ronch, Marcello Righi
Abstract: This study presents a framework for predicting unsteady transonic wing pressure distributions, integrating an autoencoder architecture with graph convolutional networks and graph-based temporal layers to model time dependencies. The framework compresses high-dimensional pressure distribution data into a lower-dimensional latent space using an autoencoder, ensuring efficient data representation while preserving essential features. Within this latent space, graph-based temporal layers are employed to predict future wing pressures based on past data, effectively capturing temporal dependencies and improving predictive accuracy. This combined approach leverages the strengths of autoencoders for dimensionality reduction, graph convolutional networks for handling unstructured grid data, and temporal layers for modeling time-based sequences. The effectiveness of the proposed framework is validated through its application to the Benchmark Super Critical Wing test case, achieving accuracy comparable to computational fluid dynamics, while significantly reducing prediction time. This framework offers a scalable, computationally efficient solution for the aerodynamic analysis of unsteady phenomena.
Authors: Charles Westphal, Stephen Hailes, Mirco Musolesi
Abstract: Network Intrusion Detection (NID) remains a key area of research within the information security community, while also being relevant to Machine Learning (ML) practitioners. The latter generally aim to detect attacks using network features, which have been extracted from raw network data typically using dimensionality reduction methods, such as principal component analysis (PCA). However, PCA is not able to assess the relevance of features for the task at hand. Consequently, the features available are of varying quality, with some being entirely non-informative. From this, two major drawbacks arise. Firstly, trained and deployed models have to process large amounts of unnecessary data, therefore draining potentially costly resources. Secondly, the noise caused by the presence of irrelevant features can, in some cases, impede a model's ability to detect an attack. In order to deal with these challenges, we present Feature Selection for Network Intrusion Detection (FSNID) a novel information-theoretic method that facilitates the exclusion of non-informative features when detecting network intrusions. The proposed method is based on function approximation using a neural network, which enables a version of our approach that incorporates a recurrent layer. Consequently, this version uniquely enables the integration of temporal dependencies. Through an extensive set of experiments, we demonstrate that the proposed method selects a significantly reduced feature set, while maintaining NID performance. Code will be made available upon publication.
Authors: Mingsen Du, Yanxuan Wei, Yingxia Tang, Xiangwei Zheng, Shoushui Wei, Cun Ji
Abstract: Multivariate time series classification is of great importance in practical applications and is a challenging task. However, deep neural network models such as Transformers exhibit high accuracy in multivariate time series classification but lack interpretability and fail to provide insights into the decision-making process. On the other hand, traditional approaches based on decision tree classifiers offer clear decision processes but relatively lower accuracy. Swin Transformer (ST) addresses these issues by leveraging self-attention mechanisms to capture both fine-grained local patterns and global patterns. It can also model multi-scale feature representation learning, thereby providing a more comprehensive representation of time series features. To tackle the aforementioned challenges, we propose ST-Tree with interpretability for multivariate time series classification. Specifically, the ST-Tree model combines ST as the backbone network with an additional neural tree model. This integration allows us to fully leverage the advantages of ST in learning time series context while providing interpretable decision processes through the neural tree. This enables researchers to gain clear insights into the model's decision-making process and extract meaningful interpretations. Through experimental evaluations on 10 UEA datasets, we demonstrate that the ST-Tree model improves accuracy in multivariate time series classification tasks and provides interpretability through visualizing the decision-making process across different datasets.
Authors: Mengxuan Li, Ke Liu, Hongyang Chen, Jiajun Bu, Hongwei Wang, Haishuai Wang
Abstract: Time series anomaly detection aims to identify unusual patterns in data or deviations from systems' expected behavior. The reconstruction-based methods are the mainstream in this task, which learn point-wise representation via unsupervised learning. However, the unlabeled anomaly points in training data may cause these reconstruction-based methods to learn and reconstruct anomalous data, resulting in the challenge of capturing normal patterns. In this paper, we propose a time series anomaly detection method based on implicit neural representation (INR) reconstruction, named TSINR, to address this challenge. Due to the property of spectral bias, TSINR enables prioritizing low-frequency signals and exhibiting poorer performance on high-frequency abnormal data. Specifically, we adopt INR to parameterize time series data as a continuous function and employ a transformer-based architecture to predict the INR of given data. As a result, the proposed TSINR method achieves the advantage of capturing the temporal continuity and thus is more sensitive to discontinuous anomaly data. In addition, we further design a novel form of INR continuous function to learn inter- and intra-channel information, and leverage a pre-trained large language model to amplify the intense fluctuations in anomalies. Extensive experiments demonstrate that TSINR achieves superior overall performance on both univariate and multivariate time series anomaly detection benchmarks compared to other state-of-the-art reconstruction-based methods. Our codes are available.
Authors: Shaojie Bai, Mohammad Sadegh Talebi, Chengcheng Zhao, Peng Cheng, Jiming Chen
Abstract: Differential privacy (DP) has recently been introduced into episodic reinforcement learning (RL) to formally address user privacy concerns in personalized services. Previous work mainly focuses on two trust models of DP: the central model, where a central agent is responsible for protecting users' sensitive data, and the (stronger) local model, where the protection occurs directly on the user side. However, they either require a trusted central agent or incur a significantly higher privacy cost, making it unsuitable for many scenarios. This work introduces a trust model stronger than the central model but with a lower privacy cost than the local model, leveraging the emerging \emph{shuffle} model of privacy. We present the first generic algorithm for episodic RL under the shuffle model, where a trusted shuffler randomly permutes a batch of users' data before sending it to the central agent. We then instantiate the algorithm using our proposed shuffle Privatizer, relying on a shuffle private binary summation mechanism. Our analysis shows that the algorithm achieves a near-optimal regret bound comparable to that of the centralized model and significantly outperforms the local model in terms of privacy cost.
Authors: Lijie Hu, Chenyang Ren, Huanyi Xie, Khouloud Saadi, Shu Yang, Jingfeng Zhang, Di Wang
Abstract: Multi-modal Large Language models (MLLMs) are always trained on data from diverse and unreliable sources, which may contain misaligned or mislabeled text-image pairs. This frequently causes robustness issues and hallucinations, leading to performance degradation. Data valuation is an efficient way to detect and trace these misalignments. Nevertheless, existing methods are computationally expensive for MLLMs. While computationally efficient, the classical influence functions are inadequate for contrastive learning models because they were originally designed for pointwise loss. Additionally, contrastive learning involves minimizing the distance between the modalities of positive samples and maximizing the distance between the modalities of negative samples. This requires us to evaluate the influence of samples from both perspectives. To tackle these challenges, we introduce the Extended Influence Function for Contrastive Loss (ECIF), an influence function crafted for contrastive loss. ECIF considers both positive and negative samples and provides a closed-form approximation of contrastive learning models, eliminating the need for retraining. Building upon ECIF, we develop a series of algorithms for data evaluation in MLLM, misalignment detection, and misprediction trace-back tasks. Experimental results demonstrate our ECIF advances the transparency and interpretability of MLLMs by offering a more accurate assessment of data impact and model alignment compared to traditional baseline methods.
Authors: Ding Zhang, Jane Downer, Can Chen, Ren Wang
Abstract: Graph classification is essential for understanding complex biological systems, where molecular structures and interactions are naturally represented as graphs. Traditional graph neural networks (GNNs) perform well on static tasks but struggle in dynamic settings due to catastrophic forgetting. We present Perturbed and Sparsified Continual Graph Learning (PSCGL), a robust and efficient continual graph learning framework for graph data classification, specifically targeting biological datasets. We introduce a perturbed sampling strategy to identify critical data points that contribute to model learning and a motif-based graph sparsification technique to reduce storage needs while maintaining performance. Additionally, our PSCGL framework inherently defends against graph backdoor attacks, which is crucial for applications in sensitive biological contexts. Extensive experiments on biological datasets demonstrate that PSCGL not only retains knowledge across tasks but also enhances the efficiency and robustness of graph classification models in biology.
Authors: Hui Zhang, Fu Liu
Abstract: Among adversarial attacks against sequential recommender systems, model extraction attacks represent a method to attack sequential recommendation models without prior knowledge. Existing research has primarily concentrated on the adversary's execution of black-box attacks through data-free model extraction. However, a significant gap remains in the literature concerning the development of surrogate models by adversaries with access to few-shot raw data (10\% even less). That is, the challenge of how to construct a surrogate model with high functional similarity within the context of few-shot data scenarios remains an issue that requires resolution.This study addresses this gap by introducing a novel few-shot model extraction framework against sequential recommenders, which is designed to construct a superior surrogate model with the utilization of few-shot data. The proposed few-shot model extraction framework is comprised of two components: an autoregressive augmentation generation strategy and a bidirectional repair loss-facilitated model distillation procedure. Specifically, to generate synthetic data that closely approximate the distribution of raw data, autoregressive augmentation generation strategy integrates a probabilistic interaction sampler to extract inherent dependencies and a synthesis determinant signal module to characterize user behavioral patterns. Subsequently, bidirectional repair loss, which target the discrepancies between the recommendation lists, is designed as auxiliary loss to rectify erroneous predictions from surrogate models, transferring knowledge from the victim model to the surrogate model effectively. Experiments on three datasets show that the proposed few-shot model extraction framework yields superior surrogate models.
Authors: Chenyang Jiang, Donggyu Kim, Alejandra Quintos, Yazhen Wang
Abstract: Reinforcement Learning (RL) has proven effective in solving complex decision-making tasks across various domains, but challenges remain in continuous-time settings, particularly when state dynamics are governed by stochastic differential equations (SDEs) with jump components. In this paper, we address this challenge by introducing the Mean-Square Bipower Variation Error (MSBVE) algorithm, which enhances robustness and convergence in scenarios involving significant stochastic noise and jumps. We first revisit the Mean-Square TD Error (MSTDE) algorithm, commonly used in continuous-time RL, and highlight its limitations in handling jumps in state dynamics. The proposed MSBVE algorithm minimizes the mean-square quadratic variation error, offering improved performance over MSTDE in environments characterized by SDEs with jumps. Simulations and formal proofs demonstrate that the MSBVE algorithm reliably estimates the value function in complex settings, surpassing MSTDE's performance when faced with jump processes. These findings underscore the importance of alternative error metrics to improve the resilience and effectiveness of RL algorithms in continuous-time frameworks.
Authors: Zhenyu Wen, Wanglei Feng, Di Wu, Haozhen Hu, Chang Xu, Bin Qian, Zhen Hong, Cong Wang, Shouling Ji
Abstract: Federated Learning (FL), as a mainstream privacy-preserving machine learning paradigm, offers promising solutions for privacy-critical domains such as healthcare and finance. Although extensive efforts have been dedicated from both academia and industry to improve the vanilla FL, little work focuses on the data pricing mechanism. In contrast to the straightforward in/post-training pricing techniques, we study a more difficult problem of pre-training pricing without direct information from the learning process. We propose FLMarket that integrates a two-stage, auction-based pricing mechanism with a security protocol to address the utility-privacy conflict. Through comprehensive experiments, we show that the client selection according to FLMarket can achieve more than 10% higher accuracy in subsequent FL training compared to state-of-the-art methods. In addition, it outperforms the in-training baseline with more than 2% accuracy increase and 3x run-time speedup.
Authors: Ziyi Zhang, Li Shen, Sen Zhang, Deheng Ye, Yong Luo, Miaojing Shi, Bo Du, Dacheng Tao
Abstract: Aligning diffusion models with downstream objectives is essential for their practical applications. However, standard alignment methods often struggle with step generalization when directly applied to few-step diffusion models, leading to inconsistent performance across different denoising step scenarios. To address this, we introduce Stepwise Diffusion Policy Optimization (SDPO), a novel alignment method tailored for few-step diffusion models. Unlike prior approaches that rely on a single sparse reward from only the final step of each denoising trajectory for trajectory-level optimization, SDPO incorporates dense reward feedback at every intermediate step. By learning the differences in dense rewards between paired samples, SDPO facilitates stepwise optimization of few-step diffusion models, ensuring consistent alignment across all denoising steps. To promote stable and efficient training, SDPO introduces an online reinforcement learning framework featuring several novel strategies designed to effectively exploit the stepwise granularity of dense rewards. Experimental results demonstrate that SDPO consistently outperforms prior methods in reward-based alignment across diverse step configurations, underscoring its robust step generalization capabilities. Code is avaliable at https://github.com/ZiyiZhang27/sdpo.
Authors: Mir Faris, Syeda Aynul Karim, Md. Juniadul Islam
Abstract: In order to address issues with manual vote counting during election procedures, this study intends to examine the viability of using advanced image processing techniques for automated voter counting. The study aims to shed light on how automated systems that utilize cutting-edge technologies like OpenCV, CVZone, and the MOG2 algorithm could greatly increase the effectiveness and openness of electoral operations. The empirical findings demonstrate how automated voter counting can enhance voting processes and rebuild public confidence in election outcomes, particularly in places where trust is low. The study also emphasizes how rigorous metrics, such as the F1 score, should be used to systematically compare the accuracy of automated systems against manual counting methods. This methodology enables a detailed comprehension of the differences in performance between automated and human counting techniques by providing a nuanced assessment. The incorporation of said measures serves to reinforce an extensive assessment structure, guaranteeing the legitimacy and dependability of automated voting systems inside the electoral sphere.
Authors: Yuzong Chen, Ahmed F. AbouElhamayed, Xilai Dai, Yang Wang, Marta Andronic, George A. Constantinides, Mohamed S. Abdelfattah
Abstract: Large language models (LLMs) have demonstrated remarkable performance across various machine learning tasks. Yet the substantial memory footprint of LLMs significantly hinders their deployment. In this paper, we improve the accessibility of LLMs through BitMoD, an algorithm-hardware co-design solution that enables efficient LLM acceleration at low weight precision. On the algorithm side, BitMoD introduces fine-grained data type adaptation that uses a different numerical data type to quantize a group of (e.g., 128) weights. Through the careful design of these new data types, BitMoD is able to quantize LLM weights to very low precision (e.g., 4 bits and 3 bits) while maintaining high accuracy. On the hardware side, BitMoD employs a bit-serial processing element to easily support multiple numerical precisions and data types; our hardware design includes two key innovations: First, it employs a unified representation to process different weight data types, thus reducing the hardware cost. Second, it adopts a bit-serial dequantization unit to rescale the per-group partial sum with minimal hardware overhead. Our evaluation on six representative LLMs demonstrates that BitMoD significantly outperforms state-of-the-art LLM quantization and acceleration methods. For discriminative tasks, BitMoD can quantize LLM weights to 4-bit with $<\!0.5\%$ accuracy loss on average. For generative tasks, BitMoD is able to quantize LLM weights to 3-bit while achieving better perplexity than prior LLM quantization scheme. Combining the superior model performance with an efficient accelerator design, BitMoD achieves an average of $1.69\times$ and $1.48\times$ speedups compared to prior LLM accelerators ANT and OliVe, respectively.
Authors: Yannick Metz, David Lindner, Rapha\"el Baur, Mennatallah El-Assady
Abstract: Reinforcement Learning from Human feedback (RLHF) has become a powerful tool to fine-tune or train agentic machine learning models. Similar to how humans interact in social contexts, we can use many types of feedback to communicate our preferences, intentions, and knowledge to an RL agent. However, applications of human feedback in RL are often limited in scope and disregard human factors. In this work, we bridge the gap between machine learning and human-computer interaction efforts by developing a shared understanding of human feedback in interactive learning scenarios. We first introduce a taxonomy of feedback types for reward-based learning from human feedback based on nine key dimensions. Our taxonomy allows for unifying human-centered, interface-centered, and model-centered aspects. In addition, we identify seven quality metrics of human feedback influencing both the human ability to express feedback and the agent's ability to learn from the feedback. Based on the feedback taxonomy and quality criteria, we derive requirements and design choices for systems learning from human feedback. We relate these requirements and design choices to existing work in interactive machine learning. In the process, we identify gaps in existing work and future research opportunities. We call for interdisciplinary collaboration to harness the full potential of reinforcement learning with data-driven co-adaptive modeling and varied interaction mechanics.
Authors: Shovito Barua Soumma, S M Raihanul Alam, Rudmila Rahman, Umme Niraj Mahi, Sayyed Mostafa Mostafavi, Hassan Ghasemzadeh
Abstract: Freezing of gait (FOG) is a debilitating symptom of Parkinson's disease (PD) that impairs mobility and safety. Traditional detection methods face challenges due to intra and inter-patient variability, and most systems are tested in controlled settings, limiting their real-world applicability. Addressing these gaps, we present FOGSense, a novel FOG detection system designed for uncontrolled, free-living conditions. It uses Gramian Angular Field (GAF) transformations and federated deep learning to capture temporal and spatial gait patterns missed by traditional methods. We evaluated our FOGSense system using a public PD dataset, 'tdcsfog'. FOGSense improves accuracy by 10.4% over a single-axis accelerometer, reduces failure points compared to multi-sensor systems, and demonstrates robustness to missing values. The federated architecture allows personalized model adaptation and efficient smartphone synchronization during off-peak hours, making it effective for long-term monitoring as symptoms evolve. Overall, FOGSense achieves a 22.2% improvement in F1-score compared to state-of-the-art methods, along with enhanced sensitivity for FOG episode detection. Code is available: https://github.com/shovito66/FOGSense.
Authors: Enshuo Hsu, Kirk Roberts
Abstract: Objectives: Despite the recent adoption of large language models (LLMs) for biomedical information extraction, challenges in prompt engineering and algorithms persist, with no dedicated software available. To address this, we developed LLM-IE: a Python package for building complete information extraction pipelines. Our key innovation is an interactive LLM agent to support schema definition and prompt design. Materials and Methods: The LLM-IE supports named entity recognition, entity attribute extraction, and relation extraction tasks. We benchmarked on the i2b2 datasets and conducted a system evaluation. Results: The sentence-based prompting algorithm resulted in the best performance while requiring a longer inference time. System evaluation provided intuitive visualization. Discussion: LLM-IE was designed from practical NLP experience in healthcare and has been adopted in internal projects. It should hold great value to the biomedical NLP community. Conclusion: We developed a Python package, LLM-IE, that provides building blocks for robust information extraction pipeline construction.
Authors: Kang Liu, Ziqi Wang, Enrique Zuazua
Abstract: Federated learning (FL) is an emerging paradigm for training machine learning models across distributed clients. Traditionally, in FL settings, a central server assigns training efforts (or strategies) to clients. However, from a market-oriented perspective, clients may independently choose their training efforts based on rational self-interest. To explore this, we propose a potential game framework where each client's payoff is determined by their individual efforts and the rewards provided by the server. The rewards are influenced by the collective efforts of all clients and can be modulated through a reward factor. Our study begins by establishing the existence of Nash equilibria (NEs), followed by an investigation of uniqueness in homogeneous settings. We demonstrate a significant improvement in clients' training efforts at a critical reward factor, identifying it as the optimal choice for the server. Furthermore, we prove the convergence of the best-response algorithm to compute NEs for our FL game. Finally, we apply the training efforts derived from specific NEs to a real-world FL scenario, validating the effectiveness of the identified optimal reward factor.
Authors: Satush Parikh, Soumya Basu, Avishek Ghosh, Abishek Sankararaman
Abstract: Sequential learning in a multi-agent resource constrained matching market has received significant interest in the past few years. We study decentralized learning in two-sided matching markets where the demand side (aka players or agents) competes for a `large' supply side (aka arms) with potentially time-varying preferences, to obtain a stable match. Despite a long line of work in the recent past, existing learning algorithms such as Explore-Then-Commit or Upper-Confidence-Bound remain inefficient for this problem. In particular, the per-agent regret achieved by these algorithms scales linearly with the number of arms, $K$. Motivated by the linear contextual bandit framework, we assume that for each agent an arm-mean can be represented by a linear function of a known feature vector and an unknown (agent-specific) parameter. Moreover, our setup captures the essence of a dynamic (non-stationary) matching market where the preferences over arms change over time. Our proposed algorithms achieve instance-dependent logarithmic regret, scaling independently of the number of arms, $K$.
Authors: Marek Wydmuch, {\L}ukasz Borchmann, Filip Grali\'nski
Abstract: Though large language models (LLMs) have demonstrated exceptional performance across numerous problems, their application to predictive tasks in relational databases remains largely unexplored. In this work, we address the notion that LLMs cannot yield satisfactory results on relational databases due to their interconnected tables, complex relationships, and heterogeneous data types. Using the recently introduced RelBench benchmark, we demonstrate that even a straightforward application of LLMs achieves competitive performance on these tasks. These findings establish LLMs as a promising new baseline for ML on relational databases and encourage further research in this direction.
Authors: Sung-Jin Kim, Dae-Hyeok Lee, Hyeon-Taek Han
Abstract: Electroencephalography (EEG) is a generally used neuroimaging approach in brain-computer interfaces due to its non-invasive characteristics and convenience, making it an effective tool for understanding human intentions. Therefore, recent research has focused on decoding human intentions from EEG signals utilizing deep learning methods. However, since EEG signals are highly susceptible to noise during acquisition, there is a high possibility of the existence of noisy data in the dataset. Although pioneer studies have generally assumed that the dataset is well-curated, this assumption is not always met in the EEG dataset. In this paper, we addressed this issue by designing a dataset refinement algorithm that can eliminate noisy data based on metrics evaluating data influence during the training process. We applied the proposed algorithm to two motor imagery EEG public datasets and three different models to perform dataset refinement. The results indicated that retraining the model with the refined dataset consistently led to better generalization performance compared to using the original dataset. Hence, we demonstrated that removing noisy data from the training dataset alone can effectively improve the generalization performance of deep learning models in the EEG domain.
Authors: Georgios Mentzelopoulos, Evangelos Chatzipantazis, Ashwin G. Ramayya, Michelle J. Hedlund, Vivek P. Buch, Kostas Daniilidis, Konrad P. Kording, Flavia Vitale
Abstract: Deep learning based neural decoding from stereotactic electroencephalography (sEEG) would likely benefit from scaling up both dataset and model size. To achieve this, combining data across multiple subjects is crucial. However, in sEEG cohorts, each subject has a variable number of electrodes placed at distinct locations in their brain, solely based on clinical needs. Such heterogeneity in electrode number/placement poses a significant challenge for data integration, since there is no clear correspondence of the neural activity recorded at distinct sites between individuals. Here we introduce seegnificant: a training framework and architecture that can be used to decode behavior across subjects using sEEG data. We tokenize the neural activity within electrodes using convolutions and extract long-term temporal dependencies between tokens using self-attention in the time dimension. The 3D location of each electrode is then mixed with the tokens, followed by another self-attention in the electrode dimension to extract effective spatiotemporal neural representations. Subject-specific heads are then used for downstream decoding tasks. Using this approach, we construct a multi-subject model trained on the combined data from 21 subjects performing a behavioral task. We demonstrate that our model is able to decode the trial-wise response time of the subjects during the behavioral task solely from neural data. We also show that the neural representations learned by pretraining our model across individuals can be transferred in a few-shot manner to new subjects. This work introduces a scalable approach towards sEEG data integration for multi-subject model training, paving the way for cross-subject generalization for sEEG decoding.
Authors: Xiaoqing Chen, Siyang Li, Yunlu Tu, Ziwei Wang, Dongrui Wu
Abstract: Objective: An electroencephalogram (EEG)-based brain-computer interface (BCI) is a direct communication pathway between the human brain and a computer. Most research so far studied more accurate BCIs, but much less attention has been paid to the ethics of BCIs. Aside from task-specific information, EEG signals also contain rich private information, e.g., user identity, emotion, disorders, etc., which should be protected. Approach: We show for the first time that adding user-wise perturbations can make identity information in EEG unlearnable. We propose four types of user-wise privacy-preserving perturbations, i.e., random noise, synthetic noise, error minimization noise, and error maximization noise. After adding the proposed perturbations to EEG training data, the user identity information in the data becomes unlearnable, while the BCI task information remains unaffected. Main results: Experiments on six EEG datasets using three neural network classifiers and various traditional machine learning models demonstrated the robustness and practicability of the proposed perturbations. Significance: Our research shows the feasibility of hiding user identity information in EEG data without impacting the primary BCI task information.
Authors: Jhanavi Hegde
Abstract: Satellites are widely used to estimate and monitor ground cover, providing critical information to address the challenges posed by climate change. High-resolution satellite images help to identify smaller features on the ground and classification of ground cover types. Small satellites have become very popular recently due to their cost-effectiveness. However, smaller satellites have weaker spatial resolution, and preprocessing using recent generative models made it possible to enhance the resolution of these satellite images. The objective of this paper is to propose computationally efficient guided or image-conditioned denoising diffusion models (DDMs) to perform super-resolution on low-quality images. Denoising based on stochastic ordinary differential equations (ODEs) typically takes hundreds of iterations and it can be reduced using deterministic ODEs. I propose Consistency Models (CM) that utilize deterministic ODEs for efficient denoising and perform super resolution on satellite images. The DOTA v2.0 image dataset that is used to develop object detectors needed for urban planning and ground cover estimation, is used in this project. The Stable Diffusion model is used as the base model, and the DDM in Stable Diffusion is converted into a Consistency Model (CM) using Teacher-Student Distillation to apply deterministic denoising. Stable diffusion with modified CM has successfully improved the resolution of satellite images by a factor of 16, and the computational time was reduced by a factor of 20 compared to stochastic denoising methods. The FID score of low-resolution images improved from 10.0 to 1.9 after increasing the image resolution using my algorithm for consistency models.
Authors: Rongxin Ouyang, Kokil Jaidka, Subhayan Mukerjee, Guangyu Cui
Abstract: The prevalence of multi-modal content on social media complicates automated moderation strategies. This calls for an enhancement in multi-modal classification and a deeper understanding of understated meanings in images and memes. Although previous efforts have aimed at improving model performance through fine-tuning, few have explored an end-to-end optimization pipeline that accounts for modalities, prompting, labeling, and fine-tuning. In this study, we propose an end-to-end conceptual framework for model optimization in complex tasks. Experiments support the efficacy of this traditional yet novel framework, achieving the highest accuracy and AUROC. Ablation experiments demonstrate that isolated optimizations are not ineffective on their own.
Authors: Mathis Koroglu, Hugo Caselles-Dupr\'e, Guillaume Jeanneret Sanmiguel, Matthieu Cord
Abstract: We consider the problem of text-to-video generation tasks with precise control for various applications such as camera movement control and video-to-video editing. Most methods tacking this problem rely on providing user-defined controls, such as binary masks or camera movement embeddings. In our approach we propose OnlyFlow, an approach leveraging the optical flow firstly extracted from an input video to condition the motion of generated videos. Using a text prompt and an input video, OnlyFlow allows the user to generate videos that respect the motion of the input video as well as the text prompt. This is implemented through an optical flow estimation model applied on the input video, which is then fed to a trainable optical flow encoder. The output feature maps are then injected into the text-to-video backbone model. We perform quantitative, qualitative and user preference studies to show that OnlyFlow positively compares to state-of-the-art methods on a wide range of tasks, even though OnlyFlow was not specifically trained for such tasks. OnlyFlow thus constitutes a versatile, lightweight yet efficient method for controlling motion in text-to-video generation. Models and code will be made available on GitHub and HuggingFace.
Authors: G. Thomas Hudson, Dean Slack, Thomas Winterbottom, Jamie Sterling, Chenghao Xiao, Junjie Shentu, Noura Al Moubayed
Abstract: Multimodal learning, which involves integrating information from various modalities such as text, images, audio, and video, is pivotal for numerous complex tasks like visual question answering, cross-modal retrieval, and caption generation. Traditional approaches rely on modality-specific encoders and late fusion techniques, which can hinder scalability and flexibility when adapting to new tasks or modalities. To address these limitations, we introduce a novel framework that extends the concept of task reformulation beyond natural language processing (NLP) to multimodal learning. We propose to reformulate diverse multimodal tasks into a unified next-frame prediction problem, allowing a single model to handle different modalities without modality-specific components. This method treats all inputs and outputs as sequential frames in a video, enabling seamless integration of modalities and effective knowledge transfer across tasks. Our approach is evaluated on a range of tasks, including text-to-text, image-to-text, video-to-video, video-to-text, and audio-to-text, demonstrating the model's ability to generalize across modalities with minimal adaptation. We show that task reformulation can significantly simplify multimodal model design across various tasks, laying the groundwork for more generalized multimodal foundation models.
Authors: Quang P. M. Pham, Khoi T. N. Nguyen, Lan C. Ngo, Dezhen Song, Truong Do, Truong Son Hy
Abstract: Scene graphs have proven to be highly effective for various scene understanding tasks due to their compact and explicit representation of relational information. However, current methods often overlook the critical importance of preserving symmetry when generating scene graphs from 3D point clouds, which can lead to reduced accuracy and robustness, particularly when dealing with noisy, multi-view data. This work, to the best of our knowledge, presents the first implementation of an Equivariant Scene Graph Neural Network (ESGNN) to generate semantic scene graphs from 3D point clouds, specifically for enhanced scene understanding. Furthermore, a significant limitation of prior methods is the absence of temporal modeling to capture time-dependent relationships among dynamically evolving entities within a scene. To address this gap, we introduce a novel temporal layer that leverages the symmetry-preserving properties of ESGNN to fuse scene graphs across multiple sequences into a unified global representation by an approximate graph-matching algorithm. Our combined architecture, termed the Temporal Equivariant Scene Graph Neural Network (TESGNN), not only surpasses existing state-of-the-art methods in scene estimation accuracy but also achieves faster convergence. Importantly, TESGNN is computationally efficient and straightforward to implement using existing frameworks, making it well-suited for real-time applications in robotics and computer vision. This approach paves the way for more robust and scalable solutions to complex multi-view scene understanding challenges. Our source code is publicly available at: https://github.com/HySonLab/TESGraph
Authors: Jia He, Mukund Rungta, David Koleczek, Arshdeep Sekhon, Franklin X Wang, Sadid Hasan
Abstract: In the realm of Large Language Models (LLMs), prompt optimization is crucial for model performance. Although previous research has explored aspects like rephrasing prompt contexts, using various prompting techniques (like in-context learning and chain-of-thought), and ordering few-shot examples, our understanding of LLM sensitivity to prompt templates remains limited. Therefore, this paper examines the impact of different prompt templates on LLM performance. We formatted the same contexts into various human-readable templates, including plain text, Markdown, JSON, and YAML, and evaluated their impact across tasks like natural language reasoning, code generation, and translation using OpenAI's GPT models. Experiments show that GPT-3.5-turbo's performance varies by up to 40\% in a code translation task depending on the prompt template, while larger models like GPT-4 are more robust to these variations. Our analysis highlights the need to reconsider the use of fixed prompt templates, as different formats can significantly affect model performance.
Authors: Songlin Zhao, Rong Zhou, Yu Zhang, Yong Chen, Lifang He
Abstract: In this paper, we introduce a novel normative modeling approach that incorporates focal loss and adversarial autoencoders (FAAE) for Alzheimer's Disease (AD) diagnosis and biomarker identification. Our method is an end-to-end approach that embeds an adversarial focal loss discriminator within the autoencoder structure, specifically designed to effectively target and capture more complex and challenging cases. We first use the enhanced autoencoder to create a normative model based on data from healthy control (HC) individuals. We then apply this model to estimate total and regional neuroanatomical deviation in AD patients. Through extensive experiments on the OASIS-3 and ADNI datasets, our approach significantly outperforms previous state-of-the-art methods. This advancement not only streamlines the detection process but also provides a greater insight into the biomarker potential for AD. Our code can be found at \url{https://github.com/soz223/FAAE}.
Authors: Christoph Brosch, Alexander Bouwens, Sebastian Bast, Swen Haab, Rolf Krieger
Abstract: Price forecasting for used construction equipment is a challenging task due to spatial and temporal price fluctuations. It is thus of high interest to automate the forecasting process based on current market data. Even though applying machine learning (ML) to these data represents a promising approach to predict the residual value of certain tools, it is hard to implement for small and medium-sized enterprises due to their insufficient ML expertise. To this end, we demonstrate the possibility of substituting manually created ML pipelines with automated machine learning (AutoML) solutions, which automatically generate the underlying pipelines. We combine AutoML methods with the domain knowledge of the companies. Based on the CRISP-DM process, we split the manual ML pipeline into a machine learning and non-machine learning part. To take all complex industrial requirements into account and to demonstrate the applicability of our new approach, we designed a novel metric named method evaluation score, which incorporates the most important technical and non-technical metrics for quality and usability. Based on this metric, we show in a case study for the industrial use case of price forecasting, that domain knowledge combined with AutoML can weaken the dependence on ML experts for innovative small and medium-sized enterprises which are interested in conducting such solutions.
Authors: Eric Hsiung, Swarat Chaudhuri, Joydeep Biswas
Abstract: Quantitative automata are useful representations for numerous applications, including modeling probability distributions over sequences to Markov chains and reward machines. Actively learning such automata typically occurs using explicitly gathered input-output examples under adaptations of the L-star algorithm. However, obtaining explicit input-output pairs can be expensive, and there exist scenarios, including preference-based learning or learning from rankings, where providing constraints is a less exerting and a more natural way to concisely describe desired properties. Consequently, we propose the problem of learning deterministic quantitative automata from sets of constraints over the valuations of input sequences. We present QUINTIC, an active learning algorithm, wherein the learner infers a valid automaton through deductive reasoning, by applying a theory to a set of currently available constraints and an assumed preference model and quantitative automaton class. QUINTIC performs a complete search over the space of automata, and is guaranteed to be minimal and correctly terminate. Our evaluations utilize theory of rationals in order to learn summation, discounted summation, product, and classification quantitative automata, and indicate QUINTIC is effective at learning these types of automata.
Authors: Parand A. Alamdari, Toryn Q. Klassen, Rodrigo Toro Icarte, Sheila A. McIlraith
Abstract: Pluralistic alignment is concerned with ensuring that an AI system's objectives and behaviors are in harmony with the diversity of human values and perspectives. In this paper we study the notion of pluralistic alignment in the context of agentic AI, and in particular in the context of an agent that is trying to learn a policy in a manner that is mindful of the values and perspective of others in the environment. To this end, we show how being considerate of the future wellbeing and agency of other (human) agents can promote a form of pluralistic alignment.
Authors: Meenatchi Sundaram Muthu Selva Annamalai, Borja Balle, Emiliano De Cristofaro, Jamie Hayes
Abstract: Differentially Private Stochastic Gradient Descent (DP-SGD) is a popular method for training machine learning models with formal Differential Privacy (DP) guarantees. As DP-SGD processes the training data in batches, it uses Poisson sub-sampling to select batches at each step. However, due to computational and compatibility benefits, replacing sub-sampling with shuffling has become common practice. Yet, since tight theoretical guarantees for shuffling are currently unknown, prior work using shuffling reports DP guarantees as though Poisson sub-sampling was used. This prompts the need to verify whether this discrepancy is reflected in a gap between the theoretical guarantees from state-of-the-art models and the actual privacy leakage. To do so, we introduce a novel DP auditing procedure to analyze DP-SGD with shuffling. We show that state-of-the-art DP models trained with shuffling appreciably overestimated privacy guarantees (up to 4x). In the process, we assess the impact of several parameters, such as batch size, privacy budget, and threat model, on privacy leakage. Finally, we study two variations of the shuffling procedure found in the wild, which result in further privacy leakage. Overall, our work empirically attests to the risk of using shuffling instead of Poisson sub-sampling vis-\`a-vis the actual privacy leakage of DP-SGD.
Authors: Sajib Kumar Saha Joy, Arman Hassan Mahy, Meherin Sultana, Azizah Mamun Abha, MD Piyal Ahmmed, Yue Dong, G M Shahariar
Abstract: In this study, we investigate gender bias in Bangla pretrained language models, a largely under explored area in low-resource languages. To assess this bias, we applied gender-name swapping techniques to existing datasets, creating four manually annotated, task-specific datasets for sentiment analysis, toxicity detection, hate speech detection, and sarcasm detection. By altering names and gender-specific terms, we ensured these datasets were suitable for detecting and mitigating gender bias. We then proposed a joint loss optimization technique to mitigate gender bias across task-specific pretrained models. Our approach was evaluated against existing bias mitigation methods, with results showing that our technique not only effectively reduces bias but also maintains competitive accuracy compared to other baseline approaches. To promote further research, we have made both our implementation and datasets publicly available https://github.com/sajib-kumar/Gender-Bias-Mitigation-From-Bangla-PLM
URLs: https://github.com/sajib-kumar/Gender-Bias-Mitigation-From-Bangla-PLM
Authors: Yunsheng Ma, Burhaneddin Yaman, Xin Ye, Feng Tao, Abhirup Mallik, Ziran Wang, Liu Ren
Abstract: Bird's eye view (BEV)-based 3D perception plays a crucial role in autonomous driving applications. The rise of large language models has spurred interest in BEV-based captioning to understand object behavior in the surrounding environment. However, existing approaches treat perception and captioning as separate tasks, focusing on the performance of only one of the tasks and overlooking the potential benefits of multimodal alignment. To bridge this gap between modalities, we introduce MTA, a novel multimodal task alignment framework that boosts both BEV perception and captioning. MTA consists of two key components: (1) BEV-Language Alignment (BLA), a contextual learning mechanism that aligns the BEV scene representations with ground-truth language representations, and (2) Detection-Captioning Alignment (DCA), a cross-modal prompting mechanism that aligns detection and captioning outputs. MTA integrates into state-of-the-art baselines during training, adding no extra computational complexity at runtime. Extensive experiments on the nuScenes and TOD3Cap datasets show that MTA significantly outperforms state-of-the-art baselines, achieving a 4.9% improvement in perception and a 9.2% improvement in captioning. These results underscore the effectiveness of unified alignment in reconciling BEV-based perception and captioning.
Authors: Mostafa Naseri, Pooya Ashtari, Mohamed Seif, Eli De Poorter, H. Vincent Poor, Adnan Shahid
Abstract: In wireless communications, efficient image transmission must balance reliability, throughput, and latency, especially under dynamic channel conditions. This paper presents an adaptive and progressive pipeline for learned image compression (LIC)-based architectures tailored to such environments. We investigate two state-of-the-art learning-based models: the hyperprior model and Vector Quantized Generative Adversarial Network (VQGAN). The hyperprior model achieves superior compression performance through lossless compression in the bottleneck but is susceptible to bit errors, necessitating the use of error correction or retransmission mechanisms. In contrast, the VQGAN decoder demonstrates robust image reconstruction capabilities even in the absence of channel coding, enhancing reliability in challenging transmission scenarios. We propose progressive versions of both models, enabling partial image transmission and decoding under imperfect channel conditions. This progressive approach not only maintains image integrity under poor channel conditions but also significantly reduces latency by allowing immediate partial image availability. We evaluate our pipeline using the Kodak high-resolution image dataset under a Rayleigh fading wireless channel model simulating dynamic conditions. The results indicate that the progressive transmission framework enhances reliability and latency while maintaining or improving throughput compared to non-progressive counterparts across various Signal-to-Noise Ratio (SNR) levels. Specifically, the progressive-hyperprior model consistently outperforms others in latency metrics, particularly in the 99.9th percentile waiting time-a measure indicating the maximum waiting time experienced by 99.9% of transmission instances-across all SNRs, and achieves higher throughput in low SNR scenarios. where Adaptive WebP fails.
Authors: Toryn Q. Klassen, Parand A. Alamdari, Sheila A. McIlraith
Abstract: If an AI system makes decisions over time, how should we evaluate how aligned it is with a group of stakeholders (who may have conflicting values and preferences)? In this position paper, we advocate for consideration of temporal aspects including stakeholders' changing levels of satisfaction and their possibly temporally extended preferences. We suggest how a recent approach to evaluating fairness over time could be applied to a new form of pluralistic alignment: temporal pluralism, where the AI system reflects different stakeholders' values at different times.
Authors: Zhangchi Zhu, Wei Zhang
Abstract: In this paper, we analyze the feature-based knowledge distillation for recommendation from the frequency perspective. By defining knowledge as different frequency components of the features, we theoretically demonstrate that regular feature-based knowledge distillation is equivalent to equally minimizing losses on all knowledge and further analyze how this equal loss weight allocation method leads to important knowledge being overlooked. In light of this, we propose to emphasize important knowledge by redistributing knowledge weights. Furthermore, we propose FreqD, a lightweight knowledge reweighting method, to avoid the computational cost of calculating losses on each knowledge. Extensive experiments demonstrate that FreqD consistently and significantly outperforms state-of-the-art knowledge distillation methods for recommender systems. Our code is available at \url{https://anonymous.4open.science/r/FreqKD/}
Authors: Haoxu Huang, Cem M. Deniz, Kyunghyun Cho, Sumit Chopra, Divyam Madaan
Abstract: Chest X-ray imaging is a widely accessible and non-invasive diagnostic tool for detecting thoracic abnormalities. While numerous AI models assist radiologists in interpreting these images, most overlook patients' historical data. To bridge this gap, we introduce Temporal MIMIC dataset, which integrates five years of patient history, including radiographic scans and reports from MIMIC-CXR and MIMIC-IV, encompassing 12,221 patients and thirteen pathologies. Building on this, we present HIST-AID, a framework that enhances automatic diagnostic accuracy using historical reports. HIST-AID emulates the radiologist's comprehensive approach, leveraging historical data to improve diagnostic accuracy. Our experiments demonstrate significant improvements, with AUROC increasing by 6.56% and AUPRC by 9.51% compared to models that rely solely on radiographic scans. These gains were consistently observed across diverse demographic groups, including variations in gender, age, and racial categories. We show that while recent data boost performance, older data may reduce accuracy due to changes in patient conditions. Our work paves the potential of incorporating historical data for more reliable automatic diagnosis, providing critical support for clinical decision-making.
Authors: Qixuan Jin, Walter Gerych, Marzyeh Ghassemi
Abstract: Spurious features associated with class labels can lead image classifiers to rely on shortcuts that don't generalize well to new domains. This is especially problematic in medical settings, where biased models fail when applied to different hospitals or systems. In such cases, data-driven methods to reduce spurious correlations are preferred, as clinicians can directly validate the modified images. While Denoising Diffusion Probabilistic Models (Diffusion Models) show promise for natural images, they are impractical for medical use due to the difficulty of describing spurious medical features. To address this, we propose Masked Medical Image Inpainting (MaskMedPaint), which uses text-to-image diffusion models to augment training images by inpainting areas outside key classification regions to match the target domain. We demonstrate that MaskMedPaint enhances generalization to target domains across both natural (Waterbirds, iWildCam) and medical (ISIC 2018, Chest X-ray) datasets, given limited unlabeled target images.
Authors: Xinbo Shi, Yijie Peng, Bruno Tuffin
Abstract: This paper addresses the challenge of improving finite sample performance in Ranking and Selection by developing a Bahadur-Rao type expansion for the Probability of Correct Selection (PCS). While traditional large deviations approximations captures PCS behavior in the asymptotic regime, they can lack precision in finite sample settings. Our approach enhances PCS approximation under limited simulation budgets, providing more accurate characterization of optimal sampling ratios and optimality conditions dependent of budgets. Algorithmically, we propose a novel finite budget allocation (FCBA) policy, which sequentially estimates the optimality conditions and accordingly balances the sampling ratios. We illustrate numerically on toy examples that our FCBA policy achieves superior PCS performance compared to tested traditional methods. As an extension, we note that the non-monotonic PCS behavior described in the literature for low-confidence scenarios can be attributed to the negligence of simultaneous incorrect binary comparisons in PCS approximations. We provide a refined expansion and a tailored allocation strategy to handle low-confidence scenarios, addressing the non-monotonicity issue.
Authors: Ying Yang, De Cheng, Chaowei Fang, Yubiao Wang, Changzhe Jiao, Lechao Cheng, Nannan Wang
Abstract: Unsupervised out-of-distribution (OOD) detection aims to identify out-of-domain data by learning only from unlabeled In-Distribution (ID) training samples, which is crucial for developing a safe real-world machine learning system. Current reconstruction-based methods provide a good alternative approach by measuring the reconstruction error between the input and its corresponding generative counterpart in the pixel/feature space. However, such generative methods face a key dilemma: improving the reconstruction power of the generative model while keeping a compact representation of the ID data. To address this issue, we propose the diffusion-based layer-wise semantic reconstruction approach for unsupervised OOD detection. The innovation of our approach is that we leverage the diffusion model's intrinsic data reconstruction ability to distinguish ID samples from OOD samples in the latent feature space. Moreover, to set up a comprehensive and discriminative feature representation, we devise a multi-layer semantic feature extraction strategy. By distorting the extracted features with Gaussian noise and applying the diffusion model for feature reconstruction, the separation of ID and OOD samples is implemented according to the reconstruction errors. Extensive experimental results on multiple benchmarks built upon various datasets demonstrate that our method achieves state-of-the-art performance in terms of detection accuracy and speed. Code is available at
Authors: Ke Wang, Wanchun Liu, Teng Joon Lim
Abstract: In this paper, we consider a wireless resource allocation problem in a cyber-physical system (CPS) where the control channel, carrying resource allocation commands, is subjected to denial-of-service (DoS) attacks. We propose a novel concept of collaborative distributed and centralized (CDC) resource allocation to effectively mitigate the impact of these attacks. To optimize the CDC resource allocation policy, we develop a new CDC-deep reinforcement learning (DRL) algorithm, whereas existing DRL frameworks only formulate either centralized or distributed decision-making problems. Simulation results demonstrate that the CDC-DRL algorithm significantly outperforms state-of-the-art DRL benchmarks, showcasing its ability to address resource allocation problems in large-scale CPSs under control channel attacks.
Authors: Maria Monzon, Thomas Iff, Ender Konukoglu, Catherine R. Jutzeler
Abstract: This study introduces a diffusion-based framework for robust and accurate segmenton of vertebrae, intervertebral discs (IVDs), and spinal canal from Magnetic Resonance Imaging~(MRI) scans of patients with low back pain (LBP), regardless of whether the scans are T1w or T2-weighted. The results showed that SpineSegDiff achieved comparable outperformed non-diffusion state-of-the-art models in the identification of degenerated IVDs. Our findings highlight the potential of diffusion models to improve LBP diagnosis and management through precise spine MRI analysis.
Authors: Aryan Eftekhari, Doris Folini, Aleksandra Friedl, Felix K\"ubler, Simon Scheidegger, Olaf Schenk
Abstract: This paper presents a framework for developing efficient and interpretable carbon-cycle emulators (CCEs) as part of climate emulators in Integrated Assessment Models, enabling economists to custom-build CCEs accurately calibrated to advanced climate science. We propose a generalized multi-reservoir linear box-model CCE that preserves key physical quantities and can be use-case tailored for specific use cases. Three CCEs are presented for illustration: the 3SR model (replicating DICE-2016), the 4PR model (including the land biosphere), and the 4PR-X model (accounting for dynamic land-use changes like deforestation that impact the reservoir's storage capacity). Evaluation of these models within the DICE framework shows that land-use changes in the 4PR-X model significantly impact atmospheric carbon and temperatures -- emphasizing the importance of using tailored climate emulators. By providing a transparent and flexible tool for policy analysis, our framework allows economists to assess the economic impacts of climate policies more accurately.
Authors: Moucheng Xu, Yukun Zhou, Tobias Goodwin-Allcock, Kimia Firoozabadi, Joseph Jacob, Daniel C. Alexander, Paddy J. Slator
Abstract: We introduce and demonstrate a new paradigm for quantitative parameter mapping in MRI. Parameter mapping techniques, such as diffusion MRI and quantitative MRI, have the potential to robustly and repeatably measure biologically-relevant tissue maps that strongly relate to underlying microstructure. Quantitative maps are calculated by fitting a model to multiple images, e.g. with least-squares or machine learning. However, the overwhelming majority of model fitting techniques assume that each voxel is independent, ignoring any co-dependencies in the data. This makes model fitting sensitive to voxelwise measurement noise, hampering reliability and repeatability. We propose a self-supervised deep variational approach that breaks the assumption of independent pixels, leveraging redundancies in the data to effectively perform data-driven regularisation of quantitative maps. We demonstrate that our approach outperforms current model fitting techniques in dMRI simulations and real data. Especially with a Gaussian mixture prior, our model enables sharper quantitative maps, revealing finer anatomical details that are not presented in the baselines. Our approach can hence support the clinical adoption of parameter mapping methods such as dMRI and qMRI.
Authors: Shitong Shao, Zikai Zhou, Tian Ye, Lichen Bai, Zhiqiang Xu, Zeke Xie
Abstract: Text-to-image diffusion models (DMs) develop at an unprecedented pace, supported by thorough theoretical exploration and empirical analysis. Unfortunately, the discrepancy between DMs and autoregressive models (ARMs) complicates the path toward achieving the goal of unified vision and language generation. Recently, the masked generative Transformer (MGT) serves as a promising intermediary between DM and ARM by predicting randomly masked image tokens (i.e., masked image modeling), combining the efficiency of DM with the discrete token nature of ARM. However, we find that the comprehensive analyses regarding the inference for MGT are virtually non-existent, and thus we aim to present positive design choices to fill this gap. We modify and re-design a set of DM-based inference techniques for MGT and further elucidate their performance on MGT. We also discuss the approach to correcting token's distribution to enhance inference. Extensive experiments and empirical analyses lead to concrete and effective design choices, and these design choices can be merged to achieve further performance gains. For instance, in terms of enhanced inference, we achieve winning rates of approximately 70% compared to vanilla sampling on HPS v2 with the recent SOTA MGT Meissonic. Our contributions have the potential to further enhance the capabilities and future development of MGTs.
Authors: Sudarshan Regmi
Abstract: Out-of-distribution (OOD) detection is critical to ensure the safe deployment of deep learning models in critical applications. Deep learning models can often misidentify OOD samples as in-distribution (ID) samples. This vulnerability worsens in the presence of spurious correlation in the training set. Likewise, in fine-grained classification settings, detection of fine-grained OOD samples becomes inherently challenging due to their high similarity to ID samples. However, current research on OOD detection has largely ignored these challenging scenarios, focusing instead on relatively easier (conventional) cases. In this work, we present a unified Approach to Spurious, fine-grained, and Conventional OOD Detection (ASCOOD). First, we propose synthesizing virtual outliers from ID data by approximating the destruction of invariant features. We identify invariant features with the pixel attribution method using the model being learned. This approach eliminates the burden of curating external OOD datasets. Then, we simultaneously incentivize ID classification and predictive uncertainty towards the virtual outliers leveraging standardized feature representation. Our approach effectively mitigates the impact of spurious correlations and encourages capturing fine-grained attributes. Extensive experiments across six datasets demonstrate the merit of ASCOOD in spurious, fine-grained, and conventional settings. The code is available at: https://github.com/sudarshanregmi/ASCOOD/
Authors: Seyed Ali Farokh
Abstract: This paper presents our submissions to the Iranian division of the Text-dependent Speaker Verification Challenge (TdSV) 2024. TdSV aims to determine if a specific phrase was spoken by a target speaker. We developed two independent subsystems based on pre-trained models: For phrase verification, a phrase classifier rejected incorrect phrases, while for speaker verification, a pre-trained ResNet293 with domain adaptation extracted speaker embeddings for computing cosine similarity scores. In addition, we evaluated Whisper-PMFA, a pre-trained ASR model adapted for speaker verification, and found that, although it outperforms randomly initialized ResNets, it falls short of the performance of pre-trained ResNets, highlighting the importance of large-scale pre-training. The results also demonstrate that achieving competitive performance on TdSV without joint modeling of speaker and text is possible. Our best system achieved a MinDCF of 0.0358 on the evaluation subset and won the challenge.
Authors: Pandiyaraju V, Santhosh Malarvannan, Shravan Venkatraman, Abeshek A, Priyadarshini B, Kannan A
Abstract: Diabetic retinopathy is a leading cause of blindness around the world and demands precise AI-based diagnostic tools. Traditional loss functions in multi-class classification, such as Categorical Cross-Entropy (CCE), are very common but break down with class imbalance, especially in cases with inherently challenging or overlapping classes, which leads to biased and less sensitive models. Since a heavy imbalance exists in the number of examples for higher severity stage 4 diabetic retinopathy, etc., classes compared to those very early stages like class 0, achieving class balance is key. For this purpose, we propose the Adaptive Hybrid Focal-Entropy Loss which combines the ideas of focal loss and entropy loss with adaptive weighting in order to focus on minority classes and highlight the challenging samples. The state-of-the art models applied for diabetic retinopathy detection with AHFE revealed good performance improvements, indicating the top performances of ResNet50 at 99.79%, DenseNet121 at 98.86%, Xception at 98.92%, MobileNetV2 at 97.84%, and InceptionV3 at 93.62% accuracy. This sheds light into how AHFE promotes enhancement in AI-driven diagnostics for complex and imbalanced medical datasets.
Authors: Md. Nazmus Sadat Samin, Jawad Ibn Ahad, Tanjila Ahmed Medha, Fuad Rahman, Mohammad Ruhul Amin, Nabeel Mohammed, Shafin Rahman
Abstract: This study focuses on recognizing Bangladeshi dialects and converting diverse Bengali accents into standardized formal Bengali speech. Dialects, often referred to as regional languages, are distinctive variations of a language spoken in a particular location and are identified by their phonetics, pronunciations, and lexicon. Subtle changes in pronunciation and intonation are also influenced by geographic location, educational attainment, and socioeconomic status. Dialect standardization is needed to ensure effective communication, educational consistency, access to technology, economic opportunities, and the preservation of linguistic resources while respecting cultural diversity. Being the fifth most spoken language with around 55 distinct dialects spoken by 160 million people, addressing Bangla dialects is crucial for developing inclusive communication tools. However, limited research exists due to a lack of comprehensive datasets and the challenges of handling diverse dialects. With the advancement in multilingual Large Language Models (mLLMs), emerging possibilities have been created to address the challenges of dialectal Automated Speech Recognition (ASR) and Machine Translation (MT). This study presents an end-to-end pipeline for converting dialectal Noakhali speech to standard Bangla speech. This investigation includes constructing a large-scale diverse dataset with dialectal speech signals that tailored the fine-tuning process in ASR and LLM for transcribing the dialect speech to dialect text and translating the dialect text to standard Bangla text. Our experiments demonstrated that fine-tuning the Whisper ASR model achieved a CER of 0.8% and WER of 1.5%, while the BanglaT5 model attained a BLEU score of 41.6% for dialect-to-standard text translation.
Authors: Bochao Gu, Hengzhi He, Guang Cheng
Abstract: In this paper, we propose a novel statistical framework for watermarking generative categorical data. Our method systematically embeds pre-agreed secret signals by splitting the data distribution into two components and modifying one distribution based on a deterministic relationship with the other, ensuring the watermark is embedded at the distribution-level. To verify the watermark, we introduce an insertion inverse algorithm and detect its presence by measuring the total variation distance between the inverse-decoded data and the original distribution. Unlike previous categorical watermarking methods, which primarily focus on embedding watermarks into a given dataset, our approach operates at the distribution-level, allowing for verification from a statistical distributional perspective. This makes it particularly well-suited for the modern paradigm of synthetic data generation, where the underlying data distribution, rather than specific data points, is of primary importance. The effectiveness of our method is demonstrated through both theoretical analysis and empirical validation.
Authors: Junlan Liu, Qian Yin, Mengshu He, Jun Zhou
Abstract: The $\text{Cu}_7\text{P}\text{S}_6$ compound has garnered significant attention due to its potential in thermoelectric applications. In this study, we introduce a neuroevolution potential (NEP), trained on a dataset generated from ab initio molecular dynamics (AIMD) simulations, using the moment tensor potential (MTP) as a reference. The low root mean square errors (RMSEs) for total energy and atomic forces demonstrate the high accuracy and transferability of both the MTP and NEP. We further calculate the phonon density of states (DOS) and radial distribution function (RDF) using both machine learning potentials, comparing the results to density functional theory (DFT) calculations. While the MTP potential offers slightly higher accuracy, the NEP achieves a remarkable 41-fold increase in computational speed. These findings provide detailed microscopic insights into the dynamics and rapid Cu-ion diffusion, paving the way for future studies on Cu-based solid electrolytes and their applications in energy devices.
Authors: Alessandro Fontanella, Petru-Daniel Tudosiu, Yongxin Yang, Shifeng Zhang, Sarah Parisot
Abstract: Text-to-image diffusion generative models can generate high quality images at the cost of tedious prompt engineering. Controllability can be improved by introducing layout conditioning, however existing methods lack layout editing ability and fine-grained control over object attributes. The concept of multi-layer generation holds great potential to address these limitations, however generating image instances concurrently to scene composition limits control over fine-grained object attributes, relative positioning in 3D space and scene manipulation abilities. In this work, we propose a novel multi-stage generation paradigm that is designed for fine-grained control, flexibility and interactivity. To ensure control over instance attributes, we devise a novel training paradigm to adapt a diffusion model to generate isolated scene components as RGBA images with transparency information. To build complex images, we employ these pre-generated instances and introduce a multi-layer composite generation process that smoothly assembles components in realistic scenes. Our experiments show that our RGBA diffusion model is capable of generating diverse and high quality instances with precise control over object attributes. Through multi-layer composition, we demonstrate that our approach allows to build and manipulate images from highly complex prompts with fine-grained control over object appearance and location, granting a higher degree of control than competing methods.
Authors: Yufei Guo, Muzhe Guo, Juntao Su, Zhou Yang, Mengqiu Zhu, Hongfei Li, Mengyang Qiu, Shuo Shuo Liu
Abstract: Large Language Models (LLMs) have revolutionized natural language processing, but their susceptibility to biases poses significant challenges. This comprehensive review examines the landscape of bias in LLMs, from its origins to current mitigation strategies. We categorize biases as intrinsic and extrinsic, analyzing their manifestations in various NLP tasks. The review critically assesses a range of bias evaluation methods, including data-level, model-level, and output-level approaches, providing researchers with a robust toolkit for bias detection. We further explore mitigation strategies, categorizing them into pre-model, intra-model, and post-model techniques, highlighting their effectiveness and limitations. Ethical and legal implications of biased LLMs are discussed, emphasizing potential harms in real-world applications such as healthcare and criminal justice. By synthesizing current knowledge on bias in LLMs, this review contributes to the ongoing effort to develop fair and responsible AI systems. Our work serves as a comprehensive resource for researchers and practitioners working towards understanding, evaluating, and mitigating bias in LLMs, fostering the development of more equitable AI technologies.
Authors: Ashesh Rambachan, Rahul Singh, Davide Viviano
Abstract: While traditional program evaluations typically rely on surveys to measure outcomes, certain economic outcomes such as living standards or environmental quality may be infeasible or costly to collect. As a result, recent empirical work estimates treatment effects using remotely sensed variables (RSVs), such mobile phone activity or satellite images, instead of ground-truth outcome measurements. Common practice predicts the economic outcome from the RSV, using an auxiliary sample of labeled RSVs, and then uses such predictions as the outcome in the experiment. We prove that this approach leads to biased estimates of treatment effects when the RSV is a post-outcome variable. We nonparametrically identify the treatment effect, using an assumption that reflects the logic of recent empirical research: the conditional distribution of the RSV remains stable across both samples, given the outcome and treatment. Our results do not require researchers to know or consistently estimate the relationship between the RSV, outcome, and treatment, which is typically mis-specified with unstructured data. We form a representation of the RSV for downstream causal inference by predicting the outcome and predicting the treatment, with better predictions leading to more precise causal estimates. We re-evaluate the efficacy of a large-scale public program in India, showing that the program's measured effects on local consumption and poverty can be replicated using satellite
Authors: Wanxin Gao, Ioanis Nikolaidis, Janelle Harms
Abstract: Learning models of complex spatial density functions, representing the steady-state density of mobile nodes moving on a two-dimensional terrain, can assist in network design and optimization problems, e.g., by accelerating the computation of the density function during a parameter sweep. We address the question of applicability for off-the-shelf mixture density network models for the description of mobile node density over a disk. We propose the use of M\"obius distributions to retain symmetric spatial relations, yet be flexible enough to capture changes as one radially traverses the disk. The mixture models for M\"obius versus Gaussian distributions are compared and the benefits of choosing M\"obius distributions become evident, yet we also observe that learning mixtures of M\"obius distributions is a fragile process, when using current tools, compared to learning mixtures of Gaussians.
Authors: Yu Jiang, Xindi Tong, Ziyao Liu, Huanyi Ye, Chee Wei Tan, Kwok-Yan Lam
Abstract: Federated unlearning (FU) offers a promising solution to effectively address the need to erase the impact of specific clients' data on the global model in federated learning (FL), thereby granting individuals the ``Right to be Forgotten". The most straightforward approach to achieve unlearning is to train the model from scratch, excluding clients who request data removal, but it is resource-intensive. Current state-of-the-art FU methods extend traditional FL frameworks by leveraging stored historical updates, enabling more efficient unlearning than training from scratch. However, the use of stored updates introduces significant privacy risks. Adversaries with access to these updates can potentially reconstruct clients' local data, a well-known vulnerability in the privacy domain. While privacy-enhanced techniques exist, their applications to FU scenarios that balance unlearning efficiency with privacy protection remain underexplored. To address this gap, we propose FedADP, a method designed to achieve both efficiency and privacy preservation in FU. Our approach incorporates an adaptive differential privacy (DP) mechanism, carefully balancing privacy and unlearning performance through a novel budget allocation strategy tailored for FU. FedADP also employs a dual-layered selection process, focusing on global models with significant changes and client updates closely aligned with the global model, reducing storage and communication costs. Additionally, a novel calibration method is introduced to facilitate effective unlearning. Extensive experimental results demonstrate that FedADP effectively manages the trade-off between unlearning efficiency and privacy protection.
Authors: Xiaoyang Lin, Renchi Yang, Haoran Zheng, Xiangyu Ke
Abstract: Subspace clustering seeks to identify subspaces that segment a set of n data points into k (k<
Authors: Alex Beeson, David Ireland, Giovanni Montana
Abstract: Expanding reinforcement learning (RL) to offline domains generates promising prospects, particularly in sectors where data collection poses substantial challenges or risks. Pivotal to the success of transferring RL offline is mitigating overestimation bias in value estimates for state-action pairs absent from data. Whilst numerous approaches have been proposed in recent years, these tend to focus primarily on continuous or small-scale discrete action spaces. Factorised discrete action spaces, on the other hand, have received relatively little attention, despite many real-world problems naturally having factorisable actions. In this work, we undertake a formative investigation into offline reinforcement learning in factorisable action spaces. Using value-decomposition as formulated in DecQN as a foundation, we present the case for a factorised approach and conduct an extensive empirical evaluation of several offline techniques adapted to the factorised setting. In the absence of established benchmarks, we introduce a suite of our own comprising datasets of varying quality and task complexity. Advocating for reproducible research and innovation, we make all datasets available for public use alongside our code base.
Authors: Alisa Sheinkman, Sara Wade
Abstract: Despite the dominant role of deep models in machine learning, limitations persist, including overconfident predictions, susceptibility to adversarial attacks, and underestimation of variability in predictions. The Bayesian paradigm provides a natural framework to overcome such issues and has become the gold standard for uncertainty estimation with deep models, also providing improved accuracy and a framework for tuning critical hyperparameters. However, exact Bayesian inference is challenging, typically involving variational algorithms that impose strong independence and distributional assumptions. Moreover, existing methods are sensitive to the architectural choice of the network. We address these issues by constructing a relaxed version of the standard feed-forward rectified neural network, and employing Polya-Gamma data augmentation tricks to render a conditionally linear and Gaussian model. Additionally, we use sparsity-promoting priors on the weights of the neural network for data-driven architectural design. To approximate the posterior, we derive a variational inference algorithm that avoids distributional assumptions and independence across layers and is a faster alternative to the usual Markov Chain Monte Carlo schemes.
Authors: Jan Pfister, Julia Wunderle, Andreas Hotho
Abstract: We create two German-only decoder models, LL\"aMmlein 120M and 1B, transparently from scratch and publish them, along with the training data, for the German NLP research community to use. The model training involved several key steps, including extensive data preprocessing, the creation of a custom German tokenizer, the training itself, as well as the evaluation of the final models on various benchmarks. Throughout the training process, multiple checkpoints were saved and analyzed using the SuperGLEBer benchmark to monitor the models' learning dynamics. Compared to state-of-the-art models on the SuperGLEBer benchmark, both LL\"aMmlein models performed competitively, consistently matching or surpassing models with similar parameter sizes. The results show that the models' quality scales with size as expected, but performance improvements on some tasks plateaued early, offering valuable insights into resource allocation for future model development.
Authors: Benjamin M. Peter, Mert Korkali
Abstract: Reinforcement learning (RL) agents are powerful tools for managing power grids. They use large amounts of data to inform their actions and receive rewards or penalties as feedback to learn favorable responses for the system. Once trained, these agents can efficiently make decisions that would be too computationally complex for a human operator. This ability is especially valuable in decarbonizing power networks, where the demand for RL agents is increasing. These agents are well suited to control grid actions since the action space is constantly growing due to uncertainties in renewable generation, microgrid integration, and cybersecurity threats. To assess the efficacy of RL agents in response to an adverse grid event, we use the Grid2Op platform for agent training. We employ a proximal policy optimization (PPO) algorithm in conjunction with graph neural networks (GNNs). By simulating agents' responses to grid events, we assess their performance in avoiding grid failure for as long as possible. The performance of an agent is expressed concisely through its reward function, which helps the agent learn the most optimal ways to reconfigure a grid's topology amidst certain events. To model multi-actor scenarios that threaten modern power networks, particularly those resulting from cyberattacks, we integrate an opponent that acts iteratively against a given agent. This interplay between the RL agent and opponent is utilized in N-k contingency screening, providing a novel alternative to the traditional security assessment.
Authors: Nathaniel Dennler, Zhonghao Shi, Stefanos Nikolaidis, Maja Matari\'c
Abstract: Assistive robots interact with humans and must adapt to different users' preferences to be effective. An easy and effective technique to learn non-expert users' preferences is through rankings of robot behaviors, for example, robot movement trajectories or gestures. Existing techniques focus on generating trajectories for users to rank that maximize the outcome of the preference learning process. However, the generated trajectories do not appear to reflect the user's preference over repeated interactions. In this work, we design an algorithm to generate trajectories for users to rank that we call Covariance Matrix Adaptation Evolution Strategies with Information Gain (CMA-ES-IG). CMA-ES-IG prioritizes the user's experience of the preference learning process. We show that users find our algorithm more intuitive and easier to use than previous approaches across both physical and social robot tasks. This project's code is hosted at github.com/interaction-lab/CMA-ES-IG
Authors: Gabriele Formis, Stefano Scanzio, Lukasz Wisniewski, Gianluca Cena
Abstract: Predicting the behavior of a wireless link in terms of, e.g., the frame delivery ratio, is a critical task for optimizing the performance of wireless industrial communication systems. This is because industrial applications are typically characterized by stringent dependability and end-to-end latency requirements, which are adversely affected by channel quality degradation. In this work, we studied two neural network models for Wi-Fi link quality prediction in dense indoor environments. Experimental results show that their accuracy outperforms conventional methods based on exponential moving averages, due to their ability to capture complex patterns about communications, including the effects of shadowing and multipath propagation, which are particularly pronounced in industrial scenarios. This highlights the potential of neural networks for predicting spectrum behavior in challenging operating conditions, and suggests that they can be exploited to improve determinism and dependability of wireless communications, fostering their adoption in the industry.
Authors: Andrew H. Proppe, Kin Long Kelvin Lee, Weiwei Sun, Chantalle J. Krajewska, Oliver Tye, Moungi G. Bawendi
Abstract: Deep neural network models can be used to learn complex dynamics from data and reconstruct sparse or noisy signals, thereby accelerating and augmenting experimental measurements. Evaluating the quantum optical properties of solid-state single-photon emitters is a time-consuming task that typically requires interferometric photon correlation experiments, such as Photon correlation Fourier spectroscopy (PCFS) which measures time-resolved single emitter lineshapes. Here, we demonstrate a latent neural ordinary differential equation model that can forecast a complete and noise-free PCFS experiment from a small subset of noisy correlation functions. By encoding measured photon correlations into an initial value problem, the NODE can be propagated to an arbitrary number of interferometer delay times. We demonstrate this with 10 noisy photon correlation functions that are used to extrapolate an entire de-noised interferograms of up to 200 stage positions, enabling up to a 20-fold speedup in experimental acquisition time from $\sim$3 hours to 10 minutes. Our work presents a new approach to greatly accelerate the experimental characterization of novel quantum emitter materials using deep learning.
Authors: Vincent van der Brugge, Marc Pollefeys, Joshua B. Tenenbaum, Ayush Tewari, Krishna Murthy Jatavallabhula
Abstract: Reconstructing compositional 3D representations of scenes, where each object is represented with its own 3D model, is a highly desirable capability in robotics and augmented reality. However, most existing methods rely heavily on strong appearance priors for object discovery, therefore only working on those classes of objects on which the method has been trained, or do not allow for object manipulation, which is necessary to scan objects fully and to guide object discovery in challenging scenarios. We address these limitations with a novel interaction-guided and class-agnostic method based on object displacements that allows a user to move around a scene with an RGB-D camera, hold up objects, and finally outputs one 3D model per held-up object. Our main contribution to this end is a novel approach to detecting user-object interactions and extracting the masks of manipulated objects. On a custom-captured dataset, our pipeline discovers manipulated objects with 78.3% precision at 100% recall and reconstructs them with a mean chamfer distance of 0.90cm. Compared to Co-Fusion, the only comparable interaction-based and class-agnostic baseline, this corresponds to a reduction in chamfer distance of 73% while detecting 99% fewer false positives.
Authors: Kealan Dunnett, Reza Arablouei, Dimity Miller, Volkan Dedeoglu, Raja Jurdak
Abstract: The widespread adoption of deep learning across various industries has introduced substantial challenges, particularly in terms of model explainability and security. The inherent complexity of deep learning models, while contributing to their effectiveness, also renders them susceptible to adversarial attacks. Among these, backdoor attacks are especially concerning, as they involve surreptitiously embedding specific triggers within training data, causing the model to exhibit aberrant behavior when presented with input containing the triggers. Such attacks often exploit vulnerabilities in outsourced processes, compromising model integrity without affecting performance on clean (trigger-free) input data. In this paper, we present a comprehensive review of existing mitigation strategies designed to counter backdoor attacks in image recognition. We provide an in-depth analysis of the theoretical foundations, practical efficacy, and limitations of these approaches. In addition, we conduct an extensive benchmarking of sixteen state-of-the-art approaches against eight distinct backdoor attacks, utilizing three datasets, four model architectures, and three poisoning ratios. Our results, derived from 122,236 individual experiments, indicate that while many approaches provide some level of protection, their performance can vary considerably. Furthermore, when compared to two seminal approaches, most newer approaches do not demonstrate substantial improvements in overall performance or consistency across diverse settings. Drawing from these findings, we propose potential directions for developing more effective and generalizable defensive mechanisms in the future.
Authors: Yangxinyu Xie, Xiang Li, Tanwi Mallick, Weijie J. Su, Ruixun Zhang
Abstract: Watermarking language models is essential for distinguishing between human and machine-generated text and thus maintaining the integrity and trustworthiness of digital communication. We present a novel green/red list watermarking approach that partitions the token set into ``green'' and ``red'' lists, subtly increasing the generation probability for green tokens. To correct token distribution bias, our method employs maximal coupling, using a uniform coin flip to decide whether to apply bias correction, with the result embedded as a pseudorandom watermark signal. Theoretical analysis confirms this approach's unbiased nature and robust detection capabilities. Experimental results show that it outperforms prior techniques by preserving text quality while maintaining high detectability, and it demonstrates resilience to targeted modifications aimed at improving text quality. This research provides a promising watermarking solution for language models, balancing effective detection with minimal impact on text quality.
Authors: Martin Andrews
Abstract: Excellent progress has been made recently in solving ARC Challenge problems. However, it seems that new techniques may be required to push beyond 60% accuracy. Even commercial Large Language Models (LLMs) struggle to 'understand' many of the problems (when given the input and output grids), which makes discovering solutions by LLM-lead program search somewhat futile. In this work, LLM 'understanding' is attempted from a stronger starting position : An LLM is given complete solutions to tasks in code, and then asked to explain how the task is being solved at various levels of abstraction. Specifically, the LLM was given code solutions implemented in arc-dsl-llm (an LLM-legible version of Hodel's arc-dsl to obtain: (a) commented code; (b) code refactored into reusable functional chunks; (c) problem solution steps; and (d) high-level problem-solving tactics. We demonstrate that 'Sparks of Abstraction' can be extracted from the LLM output - in a form that could be used in downstream tasks with Local LLMs eligible to enter the ARC Prize. Both the arc-dsl-llm DSL framework (with the re-engineered solutions) and the Gemini LLM-generated data (along with the generation code) are made Open Source.
Authors: Yiwei Wang, Tao Yang, Hailin Huang, Tianjie Zou, Jincai Li, Nuo Chen, Zhuoran Zhang
Abstract: This paper presents a data-driven electrical machine design (EMD) framework using wound-rotor synchronous generator (WRSG) as a design example. Unlike traditional preliminary EMD processes that heavily rely on expertise, this framework leverages an artificial-intelligence based expert database, to provide preliminary designs directly from user specifications. Initial data is generated using 2D finite element (FE) machine models by sweeping fundamental design variables including machine length and diameter, enabling scalable machine geometry with machine performance for each design is recorded. This data trains a Metamodel of Optimal Prognosis (MOP)-based surrogate model, which maps design variables to key performance indicators (KPIs). Once trained, guided by metaheuristic algorithms, the surrogate model can generate thousands of geometric scalable designs, covering a wide power range, forming an AI expert database to guide future preliminary design. The framework is validated with a 30kVA WRSG design case. A prebuilt WRSG database, covering power from 10 to 60kVA, is validated by FE simulation. Design No.1138 is selected from database and compared with conventional design. Results show No.1138 achieves a higher power density of 2.21 kVA/kg in just 5 seconds, compared to 2.02 kVA/kg obtained using traditional method, which take several days. The developed AI expert database also serves as a high-quality data source for further developing AI models for automatic electrical machine design.
Authors: Sami Arja, Alexandre Marcireau, Nicholas Owen Ralph, Saeed Afshar, Gregory Cohen
Abstract: Event cameras capture sparse, asynchronous brightness changes which offer high temporal resolution, high dynamic range, low power consumption, and sparse data output. These advantages make them ideal for Space Situational Awareness, particularly in detecting resident space objects moving within a telescope's field of view. However, the output from event cameras often includes substantial background activity noise, which is known to be more prevalent in low-light conditions. This noise can overwhelm the sparse events generated by satellite signals, making detection and tracking more challenging. Existing noise-filtering algorithms struggle in these scenarios because they are typically designed for denser scenes, where losing some signal is acceptable. This limitation hinders the application of event cameras in complex, real-world environments where signals are extremely sparse. In this paper, we propose new event-driven noise-filtering algorithms specifically designed for very sparse scenes. We categorise the algorithms into logical-based and learning-based approaches and benchmark their performance against 11 state-of-the-art noise-filtering algorithms, evaluating how effectively they remove noise and hot pixels while preserving the signal. Their performance was quantified by measuring signal retention and noise removal accuracy, with results reported using ROC curves across the parameter space. Additionally, we introduce a new high-resolution satellite dataset with ground truth from a real-world platform under various noise conditions, which we have made publicly available. Code, dataset, and trained weights are available at \url{https://github.com/samiarja/dvs_sparse_filter}.
Authors: Oliver Watt-Meyer, Brian Henn, Jeremy McGibbon, Spencer K. Clark, Anna Kwa, W. Andre Perkins, Elynn Wu, Lucas Harris, Christopher S. Bretherton
Abstract: Existing machine learning models of weather variability are not formulated to enable assessment of their response to varying external boundary conditions such as sea surface temperature and greenhouse gases. Here we present ACE2 (Ai2 Climate Emulator version 2) and its application to reproducing atmospheric variability over the past 80 years on timescales from days to decades. ACE2 is a 450M-parameter autoregressive machine learning emulator, operating with 6-hour temporal resolution, 1{\deg} horizontal resolution and eight vertical layers. It exactly conserves global dry air mass and moisture and can be stepped forward stably for arbitrarily many steps with a throughput of about 1500 simulated years per wall clock day. ACE2 generates emergent phenomena such as tropical cyclones, the Madden Julian Oscillation, and sudden stratospheric warmings. Furthermore, it accurately reproduces the atmospheric response to El Ni\~no variability and global trends of temperature over the past 80 years. However, its sensitivities to separately changing sea surface temperature and carbon dioxide are not entirely realistic.
Authors: Yeping Wang, Shihao Yang
Abstract: The Physics-Informed Neural Network (PINN) is an innovative approach to solve a diverse array of partial differential equations (PDEs) leveraging the power of neural networks. This is achieved by minimizing the residual loss associated with the explicit physical information, usually coupled with data derived from initial and boundary conditions. However, a challenge arises in the context of nonlinear conservation laws where derivatives are undefined at shocks, leading to solutions that deviate from the true physical phenomena. To solve this issue, the physical solution must be extracted from the weak formulation of the PDE and is typically further bounded by entropy conditions. Within the numerical framework, finite volume methods (FVM) are employed to address conservation laws. These methods resolve the integral form of conservation laws and delineate the shock characteristics. Inspired by the principles underlying FVM, this paper introduces a novel Coupled Integrated PINN methodology that involves fitting the integral solutions of equations using additional neural networks. This technique not only augments the conventional PINN's capability in modeling shock waves, but also eliminates the need for spatial and temporal discretization. As such, it bypasses the complexities of numerical integration and reconstruction associated with non-convex fluxes. Finally, we show that the proposed new Integrated PINN performs well in conservative law and outperforms the vanilla PINN when tackle the challenging shock problems using examples of Burger's equation, Buckley-Leverett Equation and Euler System.
Authors: Kazuo Aoyama, Kazumi Saito
Abstract: This paper presents an accelerated spherical K-means clustering algorithm for large-scale and high-dimensional sparse document data sets. We design an algorithm working in an architecture-friendly manner (AFM), which is a procedure of suppressing performance-degradation factors such as the numbers of instructions, branch mispredictions, and cache misses in CPUs of a modern computer system. For the AFM operation, we leverage unique universal characteristics (UCs) of a data-object and a cluster's mean set, which are skewed distributions on data relationships such as Zipf's law and a feature-value concentration phenomenon. The UCs indicate that the most part of the number of multiplications for similarity calculations is executed regarding terms with high document frequencies (df) and the most part of a similarity between an object- and a mean-feature vector is obtained by the multiplications regarding a few high mean-feature values. Our proposed algorithm applies an inverted-index data structure to a mean set, extracts the specific region with high-df terms and high mean-feature values in the mean-inverted index by newly introduced two structural parameters, and exploits the index divided into three parts for efficient pruning. The algorithm determines the two structural parameters by minimizing the approximate number of multiplications related to that of instructions, reduces the branch mispredictions by sharing the index structure including the two parameters with all the objects, and suppressing the cache misses by keeping in the caches the frequently used data in the foregoing specific region, resulting in working in the AFM. We experimentally demonstrate that our algorithm efficiently achieves superior speed performance in large-scale documents compared with algorithms using the state-of-the-art techniques.
Authors: Shaoxiang Qin, Dongxue Zhan, Dingyang Geng, Wenhui Peng, Geng Tian, Yurong Shi, Naiping Gao, Xue Liu, Liangzhu Leon Wang
Abstract: Accurate urban microclimate analysis with wind velocity and temperature is vital for energy-efficient urban planning, supporting carbon reduction, enhancing public health and comfort, and advancing the low-altitude economy. However, traditional computational fluid dynamics (CFD) simulations that couple velocity and temperature are computationally expensive. Recent machine learning advancements offer promising alternatives for accelerating urban microclimate simulations. The Fourier neural operator (FNO) has shown efficiency and accuracy in predicting single-variable velocity magnitudes in urban wind fields. Yet, for multivariable high-resolution 3D urban microclimate prediction, FNO faces three key limitations: blurry output quality, high GPU memory demand, and substantial data requirements. To address these issues, we propose a novel localized Fourier neural operator (Local-FNO) model that employs local training, geometry encoding, and patch overlapping. Local-FNO provides accurate predictions for rapidly changing turbulence in urban microclimate over 60 seconds, four times the average turbulence integral time scale, with an average error of 0.35 m/s in velocity and 0.30 {\deg}C in temperature. It also accurately captures turbulent heat flux represented by the velocity-temperature correlation. In a 2 km by 2 km domain, Local-FNO resolves turbulence patterns down to a 10 m resolution. It provides high-resolution predictions with 150 million feature dimensions on a single 32 GB GPU at nearly 50 times the speed of a CFD solver. Compared to FNO, Local-FNO achieves a 23.9% reduction in prediction error and a 47.3% improvement in turbulent fluctuation correlation.
Authors: Sreeram Vennam, David Valente, David Herel, Ponnurangam Kumaraguru
Abstract: Thinking Tokens (TT) have been proposed as an unsupervised method to facilitate reasoning in language models. However, despite their conceptual appeal, our findings show that TTs marginally improves performance and consistently underperforms compared to Chain-of-Thought (CoT) reasoning across multiple benchmarks. We hypothesize that this underperformance stems from the reliance on a single embedding for TTs, which results in inconsistent learning signals and introduces noisy gradients. This paper provides a comprehensive empirical analysis to validate this hypothesis and discusses the implications for future research on unsupervised reasoning in LLMs.
Authors: Hadi Beik Mohammadi, S{\o}ren Hauberg, Georgios Arvanitidis, Gerhard Neumann, Leonel Rozo
Abstract: Stability guarantees are crucial when ensuring that a fully autonomous robot does not take undesirable or potentially harmful actions. We recently proposed the Neural Contractive Dynamical Systems (NCDS), which is a neural network architecture that guarantees contractive stability. With this, learning-from-demonstrations approaches can trivially provide stability guarantees. However, our early work left several unanswered questions, which we here address. Beyond providing an in-depth explanation of NCDS, this paper extends the framework with more careful regularization, a conditional variant of the framework for handling multiple tasks, and an uncertainty-driven approach to latent obstacle avoidance. Experiments verify that the developed system has the flexibility of ordinary neural networks while providing the stability guarantees needed for autonomous robotics.
Authors: Yunong Liu, Cristobal Eyzaguirre, Manling Li, Shubh Khanna, Juan Carlos Niebles, Vineeth Ravi, Saumitra Mishra, Weiyu Liu, Jiajun Wu
Abstract: Shape assembly is a ubiquitous task in daily life, integral for constructing complex 3D structures like IKEA furniture. While significant progress has been made in developing autonomous agents for shape assembly, existing datasets have not yet tackled the 4D grounding of assembly instructions in videos, essential for a holistic understanding of assembly in 3D space over time. We introduce IKEA Video Manuals, a dataset that features 3D models of furniture parts, instructional manuals, assembly videos from the Internet, and most importantly, annotations of dense spatio-temporal alignments between these data modalities. To demonstrate the utility of IKEA Video Manuals, we present five applications essential for shape assembly: assembly plan generation, part-conditioned segmentation, part-conditioned pose estimation, video object segmentation, and furniture assembly based on instructional video manuals. For each application, we provide evaluation metrics and baseline methods. Through experiments on our annotated data, we highlight many challenges in grounding assembly instructions in videos to improve shape assembly, including handling occlusions, varying viewpoints, and extended assembly sequences.
Authors: Zhaoyu Xing, Wei Zhong
Abstract: Large-scale networks exist in many field and play an important role in real-world dynamics. However, the networks are usually latent and expensive to detect, which becomes the main challenging for many applications and empirical analysis. Several statistical methods were proposed to infer the edges, but the complexity of algorithms make them hard to be applied for large-scale networks. In this paper, we proposed a general distributed and parallel computing framework for network reconstruction methods via compressive sensing technical, to make them feasible for inferring the super large networks in practice. Combining with the CALMS, we proposed for those estimators enjoy additional theoretical properties, such as the consistency and asymptotic normality, we prove that the approximate estimation utilizing the distributed algorithm can keep the theoretical results.
Authors: Alejandro Hernandez, Levin Brinkmann, Ignacio Serna, Nasim Rahaman, Hassan Abu Alhaija, Hiromu Yakura, Mar Canet Sola, Bernhard Sch\"olkopf, Iyad Rahwan
Abstract: While AI models have demonstrated remarkable capabilities in constrained domains like game strategy, their potential for genuine creativity in open-ended domains like art remains debated. We explore this question by examining how AI can transcend human cognitive limitations in visual art creation. Our research hypothesizes that visual art contains a vast unexplored space of conceptual combinations, constrained not by inherent incompatibility, but by cognitive limitations imposed by artists' cultural, temporal, geographical and social contexts. To test this hypothesis, we present the Alien Recombination method, a novel approach utilizing fine-tuned large language models to identify and generate concept combinations that lie beyond human cognitive availability. The system models and deliberately counteracts human availability bias, the tendency to rely on immediately accessible examples, to discover novel artistic combinations. This system not only produces combinations that have never been attempted before within our dataset but also identifies and generates combinations that are cognitively unavailable to all artists in the domain. Furthermore, we translate these combinations into visual representations, enabling the exploration of subjective perceptions of novelty. Our findings suggest that cognitive unavailability is a promising metric for optimizing artistic novelty, outperforming merely temperature scaling without additional evaluation criteria. This approach uses generative models to connect previously unconnected ideas, providing new insight into the potential of framing AI-driven creativity as a combinatorial problem.
Authors: Ankita Vaishnobi Bisoi, Bharath Ramsundar
Abstract: Variant calling is a fundamental task in genomic research, essential for detecting genetic variations such as single nucleotide polymorphisms (SNPs) and insertions or deletions (indels). This paper presents an enhancement to DeepChem, a widely used open-source drug discovery framework, through the integration of DeepVariant. In particular, we introduce a variant calling pipeline that leverages DeepVariant's convolutional neural network (CNN) architecture to improve the accuracy and reliability of variant detection. The implemented pipeline includes stages for realignment of sequencing reads, candidate variant detection, and pileup image generation, followed by variant classification using a modified Inception v3 model. Our work adds a modular and extensible variant calling framework to the DeepChem framework and enables future work integrating DeepChem's drug discovery infrastructure more tightly with bioinformatics pipelines.
Authors: R\"uveyda Yilmaz, Kaan Keven, Yuli Wu, Johannes Stegmaier
Abstract: Automated cell segmentation in microscopy images is essential for biomedical research, yet conventional methods are labor-intensive and prone to error. While deep learning-based approaches have proven effective, they often require large annotated datasets, which are scarce due to the challenges of manual annotation. To overcome this, we propose a novel framework for synthesizing densely annotated 2D and 3D cell microscopy images using cascaded diffusion models. Our method synthesizes 2D and 3D cell masks from sparse 2D annotations using multi-level diffusion models and NeuS, a 3D surface reconstruction approach. Following that, a pretrained 2D Stable Diffusion model is finetuned to generate realistic cell textures and the final outputs are combined to form cell populations. We show that training a segmentation model with a combination of our synthetic data and real data improves cell segmentation performance by up to 9\% across multiple datasets. Additionally, the FID scores indicate that the synthetic data closely resembles real data. The code for our proposed approach will be available at https://github.com/ruveydayilmaz0/cascaded\_diffusion.
URLs: https://github.com/ruveydayilmaz0/cascaded\_diffusion.
Authors: Jean Vassoyan (CB), Anan Sch\"utt (UNIA), Jill-J\^enn Vie (SODA), Arun-Balajiee Lekshmi-Narayanan (PITT), Elisabeth Andr\'e (UNIA), Nicolas Vayatis (CB)
Abstract: Massive Open Online Courses (MOOCs) have greatly contributed to making education more accessible.However, many MOOCs maintain a rigid, one-size-fits-all structure that fails to address the diverse needs and backgrounds of individual learners.Learning path personalization aims to address this limitation, by tailoring sequences of educational content to optimize individual student learning outcomes.Existing approaches, however, often require either massive student interaction data or extensive expert annotation, limiting their broad application.In this study, we introduce a novel data-efficient framework for learning path personalization that operates without expert annotation.Our method employs a flexible recommender system pre-trained with reinforcement learning on a dataset of raw course materials.Through experiments on semi-synthetic data, we show that this pre-training stage substantially improves data-efficiency in a range of adaptive learning scenarios featuring new educational materials.This opens up new perspectives for the design of foundation models for adaptive learning.
Authors: Robin Carpentier, Benjamin Zi Hao Zhao, Hassan Jameel Asghar, Dali Kaafar
Abstract: Individuals have been increasingly interacting with online Large Language Models (LLMs), both in their work and personal lives. These interactions raise privacy issues as the LLMs are typically hosted by third-parties who can gather a variety of sensitive information about users and their companies. Text Sanitization techniques have been proposed in the literature and can be used to sanitize user prompts before sending them to the LLM. However, sanitization has an impact on the downstream task performed by the LLM, and often to such an extent that it leads to unacceptable results for the user. This is not just a minor annoyance, with clear monetary consequences as LLM services charge on a per use basis as well as great amount of computing resources wasted. We propose an architecture leveraging a Small Language Model (SLM) at the user-side to help estimate the impact of sanitization on a prompt before it is sent to the LLM, thus preventing resource losses. Our evaluation of this architecture revealed a significant problem with text sanitization based on Differential Privacy, on which we want to draw the attention of the community for further investigation.
Authors: Xincan Yu, Sikun Yang
Abstract: We propose a novel dynamic network model to capture evolving latent communities within temporal networks. To achieve this, we decompose each observed dynamic edge between vertices using a Poisson-gamma edge partition model, assigning each vertex to one or more latent communities through \emph{nonnegative} vertex-community memberships. Specifically, hierarchical transition kernels are employed to model the interactions between these latent communities in the observed temporal network. A hierarchical graph prior is placed on the transition structure of the latent communities, allowing us to model how they evolve and interact over time. Consequently, our dynamic network enables the inferred community structure to merge, split, and interact with one another, providing a comprehensive understanding of complex network dynamics. Experiments on various real-world network datasets demonstrate that the proposed model not only effectively uncovers interpretable latent structures but also surpasses other state-of-the art dynamic network models in the tasks of link prediction and community detection.
Authors: Riccardo Riccio
Abstract: This paper introduces a novel method for real-time exercise classification using a Bidirectional Long Short-Term Memory (BiLSTM) neural network. Existing exercise recognition approaches often rely on synthetic datasets, raw coordinate inputs sensitive to user and camera variations, and fail to fully exploit the temporal dependencies in exercise movements. These issues limit their generalizability and robustness in real-world conditions, where lighting, camera angles, and user body types vary. To address these challenges, we propose a BiLSTM-based model that leverages invariant features, such as joint angles, alongside raw coordinates. By using both angles and (x, y, z) coordinates, the model adapts to changes in perspective, user positioning, and body differences, improving generalization. Training on 30-frame sequences enables the BiLSTM to capture the temporal context of exercises and recognize patterns evolving over time. We compiled a dataset combining synthetic data from the InfiniteRep dataset and real-world videos from Kaggle and other sources. This dataset includes four common exercises: squat, push-up, shoulder press, and bicep curl. The model was trained and validated on these diverse datasets, achieving an accuracy of over 99% on the test set. To assess generalizability, the model was tested on 2 separate test sets representative of typical usage conditions. Comparisons with the previous approach from the literature are present in the result section showing that the proposed model is the best-performing one. The classifier is integrated into a web application providing real-time exercise classification and repetition counting without manual exercise selection. Demo and datasets are available at the following GitHub Repository: https://github.com/RiccardoRiccio/Fitness-AI-Trainer-With-Automatic-Exercise-Recognition-and-Counting.
Authors: Ekaterina Smolina, Lev Smirnov, Daniel Leykam, Franco Nori, Daria Smirnova
Abstract: The use of machine learning to predict wave dynamics is a topic of growing interest, but commonly-used deep learning approaches suffer from a lack of interpretability of the trained models. Here we present an interpretable machine learning framework for analyzing the nonlinear evolution dynamics of optical wavepackets in complex wave media. We use sparse regression to reduce microscopic discrete lattice models to simpler effective continuum models which can accurately describe the dynamics of the wavepacket envelope. We apply our approach to valley-Hall domain walls in honeycomb photonic lattices of laser-written waveguides with Kerr-type nonlinearity and different boundary shapes. The reconstructed equations accurately reproduce the linear dispersion and nonlinear effects including self-steepening and self-focusing. This scheme is proven free of the a priori limitations imposed by the underlying hierarchy of scales traditionally employed in asymptotic analytical methods. It represents a powerful interpretable machine learning technique of interest for advancing design capabilities in photonics and framing the complex interaction-driven dynamics in various topological materials.
Authors: Varun Gadey, Raphael Goetz, Christoph Sendner, Sampo Sovio, Alexandra Dmitrienko
Abstract: Securing sensitive operations in today's interconnected software landscape is crucial yet challenging. Modern platforms rely on Trusted Execution Environments (TEEs), such as Intel SGX and ARM TrustZone, to isolate security sensitive code from the main system, reducing the Trusted Computing Base (TCB) and providing stronger assurances. However, identifying which code should reside in TEEs is complex and requires specialized expertise, which is not supported by current automated tools. Existing solutions often migrate entire applications to TEEs, leading to suboptimal use and an increased TCB. To address this gap, we propose Code Annotation Logic (CAL), a pioneering tool that automatically identifies security sensitive components for TEE isolation. CAL analyzes codebases, leveraging a graph-based approach with novel feature construction and employing a custom graph neural network model to accurately determine which parts of the code should be isolated. CAL effectively optimizes TCB, reducing the burden of manual analysis and enhancing overall security. Our contributions include the definition of security sensitive code, the construction and labeling of a comprehensive dataset of source files, a feature rich graph based data preparation pipeline, and the CAL model for TEE integration. Evaluation results demonstrate CAL's efficacy in identifying sensitive code with a recall of 86.05%, an F1 score of 81.56%, and an identification rate of 91.59% for security sensitive functions. By enabling efficient code isolation, CAL advances the secure development of applications using TEEs, offering a practical solution for developers to reduce attack vectors.
Authors: Yiyong Sun, Jiajun He, Zhidi Lin, Wenqiang Pu, Feng Yin, Hing Cheung So
Abstract: Accurate prediction of mmWave time-varying channels is essential for mitigating the issue of channel aging in complex scenarios owing to high user mobility. Existing channel prediction methods have limitations: classical model-based methods often struggle to track highly nonlinear channel dynamics due to limited expert knowledge, while emerging data-driven methods typically require substantial labeled data for effective training and often lack interpretability. To address these issues, this paper proposes a novel hybrid method that integrates a data-driven neural network into a conventional model-based workflow based on a state-space model (SSM), implicitly tracking complex channel dynamics from data without requiring precise expert knowledge. Additionally, a novel unsupervised learning strategy is developed to train the embedded neural network solely with unlabeled data. Theoretical analyses and ablation studies are conducted to interpret the enhanced benefits gained from the hybrid integration. Numerical simulations based on the 3GPP mmWave channel model corroborate the superior prediction accuracy of the proposed method, compared to state-of-the-art methods that are either purely model-based or data-driven. Furthermore, extensive experiments validate its robustness against various challenging factors, including among others severe channel variations and high noise levels.
Authors: Boris Lorbeer
Abstract: We live in a world full of complex systems which we need to improve our understanding of. To accomplish this, purely probabilistic investigations are often not enough. They are only the first step and must be followed by learning the system's underlying mechanisms. This is what the discipline of causality is concerned with. Many of those complex systems contain feedback loops which means that our methods have to allow for cyclic causal relations. Furthermore, systems are rarely sufficiently isolated, which means that there are usually hidden confounders, i.e., unmeasured variables that each causally affects more than one measured variable. Finally, data is often distorted by contaminating processes, and we need to apply methods that are robust against such distortions. That's why we consider the robustness of LLC, see \cite{llc}, one of the few causal analysis methods that can deal with cyclic models with hidden confounders. Following a theoretical analysis of LLC's robustness properties, we also provide robust extensions of LLC. To facilitate reproducibility and further research in this field, we make the source code publicly available.
Authors: Xingjian Zhang, Yuhao Wang
Abstract: Determining potential probability distributions with a given causal graph is vital for causality studies. To bypass the difficulty in characterizing latent variables in a Bayesian network, the nested Markov model provides an elegant algebraic approach by listing exactly all the equality constraints on the observed variables. However, this algebraically motivated causal model comprises distributions outside Bayesian networks, and its physical interpretation remains vague. In this work, we inspect the nested Markov model through the lens of generalized probabilistic theory, an axiomatic framework to describe general physical theories. We prove that all the equality constraints defining the nested Markov model hold valid theory-independently. Yet, we show this model generally contains distributions not implementable even within such relaxed physical theories subjected to merely the relativity principles and mild probabilistic rules. To interpret the origin of such a gap, we establish a new causal model that defines valid distributions as projected from a high-dimensional Bell-type causal structure. The new model unveils inequality constraints induced by relativity principles, or equivalently high-dimensional conditional independences, which are absent in the nested Markov model. Nevertheless, we also notice that the restrictions on states and measurements introduced by the generalized probabilistic theory framework can pose additional inequality constraints beyond the new causal model. As a by-product, we discover a new causal structure exhibiting strict gaps between the distribution sets of a Bayesian network, generalized probabilistic theories, and the nested Markov model. We anticipate our results will enlighten further explorations on the unification of algebraic and physical perspectives of causality.
Authors: Leo Cazenille, Maxime Toquebiau, Nicolas Lobato-Dauzier, Alessia Loi, Loona Macabre, Nathanael Aubert-Kato, Anthony Genot, Nicolas Bredeche
Abstract: This paper investigates the role of communication in improving coordination within robot swarms, focusing on a paradigm where learning and execution occur simultaneously in a decentralized manner. We highlight the role communication can play in addressing the credit assignment problem (individual contribution to the overall performance), and how it can be influenced by it. We propose a taxonomy of existing and future works on communication, focusing on information selection and physical abstraction as principal axes for classification: from low-level lossless compression with raw signal extraction and processing to high-level lossy compression with structured communication models. The paper reviews current research from evolutionary robotics, multi-agent (deep) reinforcement learning, language models, and biophysics models to outline the challenges and opportunities of communication in a collective of robots that continuously learn from one another through local message exchanges, illustrating a form of social learning.
Authors: Sabri Mustafa Kahya, Muhammet Sami Yavuz, Eckehard Steinbach
Abstract: This study proposes a novel approach for real-time facial expression recognition utilizing short-range Frequency-Modulated Continuous-Wave (FMCW) radar equipped with one transmit (Tx), and three receive (Rx) antennas. The system leverages four distinct modalities simultaneously: Range-Doppler images (RDIs), micro range-Doppler Images (micro-RDIs), range azimuth images (RAIs), and range elevation images (REIs). Our innovative architecture integrates feature extractor blocks, intermediate feature extractor blocks, and a ResNet block to accurately classify facial expressions into smile, anger, neutral, and no-face classes. Our model achieves an average classification accuracy of 98.91% on the dataset collected using a 60 GHz short-range FMCW radar. The proposed solution operates in real-time in a person-independent manner, which shows the potential use of low-cost FMCW radars for effective facial expression recognition in various applications.
Authors: Antonio Norelli
Abstract: Rooted in the explosion of deep learning over the past decade, this thesis spans from AlphaGo to ChatGPT to empirically examine the fundamental concepts needed to realize the vision of an artificial scientist: a machine with the capacity to autonomously generate original research and contribute to the expansion of human knowledge. The investigation begins with {\sc Olivaw}, an AlphaGo Zero-like agent that discovers Othello knowledge from scratch but is unable to communicate it. This realization leads to the development of the Explanatory Learning (EL) framework, a formalization of the problem faced by a scientist when trying to explain a new phenomenon to their peers. The effective EL prescriptions allow us to crack Zendo, a board game simulating the scientific endeavor. This success comes with a fundamental insight: an artificial scientist must develop its own interpretation of the language used to explain its findings. This perspective then leads us to see modern multimodal models as interpreters, and to devise a new way to build interpretable and cost-effective CLIP-like models: by coupling two unimodal models using little multimodal data and no further training. Finally, we discuss what ChatGPT and its siblings are still missing to become artificial scientists, and introduce Odeen, a benchmark about interpreting explanations that sees LLMs going no further than random chance while being instead fully solved by humans.
Authors: Haoyi Jia, Abhilasha Dave, Julia Gonski, Ryan Herbst
Abstract: To fully exploit the physics potential of current and future high energy particle colliders, machine learning (ML) can be implemented in detector electronics for intelligent data processing and acquisition. The implementation of ML in real-time at colliders requires very low latencies that are unachievable with a software-based approach, requiring optimization and synthesis of ML algorithms for deployment on hardware. An analysis of neural network inference efficiency is presented, focusing on the application of collider trigger algorithms in field programmable gate arrays (FPGAs). Trade-offs are evaluated between two frameworks, the SLAC Neural Network Library (SNL) and hls4ml, in terms of resources and latency for different model sizes. Results highlight the strengths and limitations of each approach, offering valuable insights for optimizing real-time neural network deployments at colliders. This work aims to guide researchers and engineers in selecting the most suitable hardware and software configurations for real-time, resource-constrained environments.
Authors: Jiawei Li, Xinyue Liang, Yizhe Yang, Chong Feng, Yang Gao
Abstract: Process supervision enhances the performance of large language models in reasoning tasks by providing feedback at each step of chain-of-thought reasoning. However, due to the lack of effective process supervision methods, even advanced large language models are prone to logical errors and redundant reasoning. We claim that the effectiveness of process supervision significantly depends on both the accuracy and the length of reasoning chains. Moreover, we identify that these factors exhibit a nonlinear relationship with the overall reward score of the reasoning process. Inspired by these insights, we propose a novel process supervision paradigm, PSPO*, which systematically outlines the workflow from reward model training to policy optimization, and highlights the importance of nonlinear rewards in process supervision. Based on PSPO*, we develop the PSPO-WRS, which considers the number of reasoning steps in determining reward scores and utilizes an adjusted Weibull distribution for nonlinear reward shaping. Experimental results on six mathematical reasoning datasets demonstrate that PSPO-WRS consistently outperforms current mainstream models.
Authors: Junjie Yang, Matthieu Labeau, Florence d'Alch\'e-Buc
Abstract: Structured prediction involves learning to predict complex structures rather than simple scalar values. The main challenge arises from the non-Euclidean nature of the output space, which generally requires relaxing the problem formulation. Surrogate methods build on kernel-induced losses or more generally, loss functions admitting an Implicit Loss Embedding, and convert the original problem into a regression task followed by a decoding step. However, designing effective losses for objects with complex structures presents significant challenges and often requires domain-specific expertise. In this work, we introduce a novel framework in which a structured loss function, parameterized by neural networks, is learned directly from output training data through Contrastive Learning, prior to addressing the supervised surrogate regression problem. As a result, the differentiable loss not only enables the learning of neural networks due to the finite dimension of the surrogate space but also allows for the prediction of new structures of the output data via a decoding strategy based on gradient descent. Numerical experiments on supervised graph prediction problems show that our approach achieves similar or even better performance than methods based on a pre-defined kernel.
Authors: Malte Luttermann, Ralf M\"oller, Marcel Gehrke
Abstract: Lifted probabilistic inference exploits symmetries in a probabilistic model to allow for tractable probabilistic inference with respect to domain sizes of logical variables. We found that the current state-of-the-art algorithm to construct a lifted representation in form of a parametric factor graph misses symmetries between factors that are exchangeable but scaled differently, thereby leading to a less compact representation. In this paper, we propose a generalisation of the advanced colour passing (ACP) algorithm, which is the state of the art to construct a parametric factor graph. Our proposed algorithm allows for potentials of factors to be scaled arbitrarily and efficiently detects more symmetries than the original ACP algorithm. By detecting strictly more symmetries than ACP, our algorithm significantly reduces online query times for probabilistic inference when the resulting model is applied, which we also confirm in our experiments.
Authors: Masahiro Kato
Abstract: This study introduces a debiasing method for regression estimators, including high-dimensional and nonparametric regression estimators. For example, nonparametric regression methods allow for the estimation of regression functions in a data-driven manner with minimal assumptions; however, these methods typically fail to achieve $\sqrt{n}$-consistency in their convergence rates, and many, including those in machine learning, lack guarantees that their estimators asymptotically follow a normal distribution. To address these challenges, we propose a debiasing technique for nonparametric estimators by adding a bias-correction term to the original estimators, extending the conventional one-step estimator used in semiparametric analysis. Specifically, for each data point, we estimate the conditional expected residual of the original nonparametric estimator, which can, for instance, be computed using kernel (Nadaraya-Watson) regression, and incorporate it as a bias-reduction term. Our theoretical analysis demonstrates that the proposed estimator achieves $\sqrt{n}$-consistency and asymptotic normality under a mild convergence rate condition for both the original nonparametric estimator and the conditional expected residual estimator. Notably, this approach remains model-free as long as the original estimator and the conditional expected residual estimator satisfy the convergence rate condition. The proposed method offers several advantages, including improved estimation accuracy and simplified construction of confidence intervals.
Authors: Mathew Jacob, Erik Lindgren, Matei Zaharia, Michael Carbin, Omar Khattab, Andrew Drozdov
Abstract: Rerankers, typically cross-encoders, are often used to re-score the documents retrieved by cheaper initial IR systems. This is because, though expensive, rerankers are assumed to be more effective. We challenge this assumption by measuring reranker performance for full retrieval, not just re-scoring first-stage retrieval. Our experiments reveal a surprising trend: the best existing rerankers provide diminishing returns when scoring progressively more documents and actually degrade quality beyond a certain limit. In fact, in this setting, rerankers can frequently assign high scores to documents with no lexical or semantic overlap with the query. We hope that our findings will spur future research to improve reranking.
Authors: Jinwon Sohn, Qifan Song
Abstract: A generative adversarial network (GAN) has been a representative backbone model in generative artificial intelligence (AI) because of its powerful performance in capturing intricate data-generating processes. However, the GAN training is well-known for its notorious training instability, usually characterized by the occurrence of mode collapse. Through the lens of gradients' variance, this work particularly analyzes the training instability and inefficiency in the presence of mode collapse by linking it to multimodality in the target distribution. To ease the raised training issues from severe multimodality, we introduce a novel GAN training framework that leverages a series of tempered distributions produced via convex interpolation. With our newly developed GAN objective function, the generator can learn all the tempered distributions simultaneously, conceptually resonating with the parallel tempering in Statistics. Our simulation studies demonstrate the superiority of our approach over existing popular training strategies in both image and tabular data synthesis. We theoretically analyze that such significant improvement can arise from reducing the variance of gradient estimates by using the tempered distributions. Finally, we further develop a variant of the proposed framework aimed at generating fair synthetic data which is one of the growing interests in the field of trustworthy AI.
Authors: Ashish Pal, Satish Nagarajaiah
Abstract: Machine learning for scientific discovery is increasingly becoming popular because of its ability to extract and recognize the nonlinear characteristics from the data. The black-box nature of deep learning methods poses difficulties in interpreting the identified model. There is a dire need to interpret the machine learning models to develop a physical understanding of dynamic systems. An interpretable form of neural network called Kolmogorov-Arnold networks (KAN) or Multiplicative KAN (MultKAN) offers critical features that help recognize the nonlinearities in the governing ordinary/partial differential equations (ODE/PDE) of various dynamic systems and find their equation structures. In this study, an equation discovery framework is proposed that includes i) sequentially regularized derivatives for denoising (SRDD) algorithm to denoise the measure data to obtain accurate derivatives, ii) KAN to identify the equation structure and suggest relevant nonlinear functions that are used to create a small overcomplete library of functions, and iii) physics-informed spline fitting (PISF) algorithm to filter the excess functions from the library and converge to the correct equation. The framework was tested on the forced Duffing oscillator, Van der Pol oscillator (stiff ODE), Burger's equation, and Bouc-Wen model (coupled ODE). The proposed method converged to the true equation for the first three systems. It provided an approximate model for the Bouc-Wen model that could acceptably capture the hysteresis response. Using KAN maintains low complexity, which helps the user interpret the results throughout the process and avoid the black-box-type nature of machine learning methods.
Authors: Adri\'an Morales-Pastor, Raquel V\'azquez-Reza, Mi{\l}osz Wiecz\'or, Cl\`audia Valverde, Manel Gil-Sorribes, Bertran Miquel-Oliver, \'Alvaro Ciudad, Alexis Molina
Abstract: RNA is a vital biomolecule with numerous roles and functions within cells, and interest in targeting it for therapeutic purposes has grown significantly in recent years. However, fully understanding and predicting RNA behavior, particularly for applications in drug discovery, remains a challenge due to the complexity of RNA structures and interactions. While foundational models in biology have demonstrated success in modeling several biomolecules, especially proteins, achieving similar breakthroughs for RNA has proven more difficult. Current RNA models have yet to match the performance observed in the protein domain, leaving an important gap in computational biology. In this work, we present ChaRNABERT, a suite of sample and parameter-efficient RNA foundational models, that through a learnable tokenization process, are able to reach state-of-the-art performance on several tasks in established benchmarks. We extend its testing in relevant downstream tasks such as RNA-protein and aptamer-protein interaction prediction. Weights and inference code for ChaRNABERT-8M will be provided for academic research use. The other models will be available upon request.
Authors: Elie Azeraf
Abstract: The Pairwise Markov Chain (PMC) is a probabilistic graphical model extending the well-known Hidden Markov Model. This model, although highly effective for many tasks, has been scarcely utilized for continuous value prediction. This is mainly due to the issue of modeling observations inherent in generative probabilistic models. In this paper, we introduce a new algorithm for prediction with the PMC. On the one hand, this algorithm allows circumventing the feature problem, thus fully exploiting the capabilities of the PMC. On the other hand, it enables the PMC to extend any predictive model by introducing hidden states, updated at each time step, and allowing the introduction of non-stationarity for any model. We apply the PMC with its new algorithm for volatility forecasting, which we compare to the highly popular GARCH(1,1) and feedforward neural models across numerous pairs. This is particularly relevant given the regime changes that we can observe in volatility. For each scenario, our algorithm enhances the performance of the extended model, demonstrating the value of our approach.
Authors: Jung Hoon Lee, Sujith Vijayan
Abstract: Deep neural networks (DNNs), the agents of deep learning (DL), require a massive number of parallel/sequential operations, which makes it difficult to comprehend them and impedes proper diagnosis. Without better knowledge of DNNs' internal process, deploying DNNs in high-stakes domains may lead to catastrophic failures. Therefore, to build more reliable DNNs/DL, it is imperative that we gain insights into their underlying decision-making process. Here, we use the self-organizing map (SOM) to analyze DL models' internal codes associated with DNNs' decision-making. Our analyses suggest that shallow layers close to the input layer map onto homogeneous codes and that deep layers close to the output layer transform these homogeneous codes in shallow layers to diverse codes. We also found evidence indicating that homogeneous codes may underlie DNNs' vulnerabilities to adversarial perturbations.
Authors: Xutong Liu, Jinhang Zuo, Siwei Wang, Carlee Joe-Wong, John C. S. Lui, Wei Chen
Abstract: In this paper, we study the combinatorial semi-bandits (CMAB) and focus on reducing the dependency of the batch-size $K$ in the regret bound, where $K$ is the total number of arms that can be pulled or triggered in each round. First, for the setting of CMAB with probabilistically triggered arms (CMAB-T), we discover a novel (directional) triggering probability and variance modulated (TPVM) condition that can replace the previously-used smoothness condition for various applications, such as cascading bandits, online network exploration and online influence maximization. Under this new condition, we propose a BCUCB-T algorithm with variance-aware confidence intervals and conduct regret analysis which reduces the $O(K)$ factor to $O(\log K)$ or $O(\log^2 K)$ in the regret bound, significantly improving the regret bounds for the above applications. Second, for the setting of non-triggering CMAB with independent arms, we propose a SESCB algorithm which leverages on the non-triggering version of the TPVM condition and completely removes the dependency on $K$ in the leading regret. As a valuable by-product, the regret analysis used in this paper can improve several existing results by a factor of $O(\log K)$. Finally, experimental evaluations show our superior performance compared with benchmark algorithms in different applications.
Authors: Seokjun Ahn, Jungtaek Kim, Minsu Cho, Jaesik Park
Abstract: We tackle the problem of sequential brick assembly with LEGO bricks to create combinatorial 3D structures. This problem is challenging since this brick assembly task encompasses the characteristics of combinatorial optimization problems. In particular, the number of assemblable structures increases exponentially as the number of bricks used increases. To solve this problem, we propose a new method to predict the scores of the next brick position by employing a U-shaped sparse 3D convolutional neural network. Along with the 3D convolutional network, a one-initialized brick-sized convolution filter is used to efficiently validate assembly constraints between bricks without training itself. By the nature of this one-initialized convolution filter, we can readily consider several different brick types by benefiting from modern implementation of convolution operations. To generate a novel structure, we devise a sampling strategy to determine the next brick position considering the satisfaction of assembly constraints. Moreover, our method is designed for either budget-free or budget-aware scenario where a budget may confine the number of bricks and their types. We demonstrate that our method successfully generates a variety of brick structures and outperforms existing methods with Bayesian optimization, deep graph generative model, and reinforcement learning.
Authors: Robbie Meyer, Alexander Wong
Abstract: Model pruning can enable the deployment of neural networks in environments with resource constraints. While pruning may have a small effect on the overall performance of the model, it can exacerbate existing biases into the model such that subsets of samples see significantly degraded performance. In this paper, we introduce the performance weighted loss function, a simple modified cross-entropy loss function that can be used to limit the introduction of biases during pruning. Experiments using the CelebA, Fitzpatrick17k and CIFAR-10 datasets demonstrate that the proposed method is a simple and effective tool that can enable existing pruning methods to be used in fairness sensitive contexts. Code used to produce all experiments contained in this paper can be found at https://github.com/robbiemeyer/pw_loss_pruning.
Authors: Lorenzo Ciampiconi, Adam Elwood, Marco Leonardi, Ashraf Mohamed, Alessandro Rozza
Abstract: Most state-of-the-art machine learning techniques revolve around the optimisation of loss functions. Defining appropriate loss functions is therefore critical to successfully solving problems in this field. In this survey, we present a comprehensive overview of the most widely used loss functions across key applications, including regression, classification, generative modeling, ranking, and energy-based modeling. We introduce 43 distinct loss functions, structured within an intuitive taxonomy that clarifies their theoretical foundations, properties, and optimal application contexts. This survey is intended as a resource for undergraduate, graduate, and Ph.D. students, as well as researchers seeking a deeper understanding of loss functions.
Authors: Su Jia, Qian Xie, Nathan Kallus, Peter I. Frazier
Abstract: In many applications of online decision making, the environment is non-stationary and it is therefore crucial to use bandit algorithms that handle changes. Most existing approaches are designed to protect against non-smooth changes, constrained only by total variation or Lipschitzness over time. However, in practice, environments often change {\em smoothly}, so such algorithms may incur higher-than-necessary regret. We study a non-stationary bandits problem where each arm's mean reward sequence can be embedded into a $\beta$-H\"older function, i.e., a function that is $(\beta-1)$-times Lipschitz-continuously differentiable. The non-stationarity becomes more smooth as $\beta$ increases. When $\beta=1$, this corresponds to the non-smooth regime, where \cite{besbes2014stochastic} established a minimax regret of $\tilde \Theta(T^{2/3})$. We show the first separation between the smooth (i.e., $\beta\ge 2$) and non-smooth (i.e., $\beta=1$) regimes by presenting a policy with $\tilde O(k^{4/5} T^{3/5})$ regret on any $k$-armed, $2$-H\"older instance. We complement this result by showing that the minimax regret on the $\beta$-H\"older family of instances is $\Omega(T^{(\beta+1)/(2\beta+1)})$ for any integer $\beta\ge 1$. This matches our upper bound for $\beta=2$ up to logarithmic factors. Furthermore, we validated the effectiveness of our policy through a comprehensive numerical study using real-world click-through rate data.
Authors: Yazhe Li, Jorg Bornschein, Marcus Hutter
Abstract: Although much of the success of Deep Learning builds on learning good representations, a rigorous method to evaluate their quality is lacking. In this paper, we treat the evaluation of representations as a model selection problem and propose to use the Minimum Description Length (MDL) principle to devise an evaluation metric. Contrary to the established practice of limiting the capacity of the readout model, we design a hybrid discrete and continuous-valued model space for the readout models and employ a switching strategy to combine their predictions. The MDL score takes model complexity, as well as data efficiency into account. As a result, the most appropriate model for the specific task and representation will be chosen, making it a unified measure for comparison. The proposed metric can be efficiently computed with an online method and we present results for pre-trained vision encoders of various architectures (ResNet and ViT) and objective functions (supervised and self-supervised) on a range of downstream tasks. We compare our methods with accuracy-based approaches and show that the latter are inconsistent when multiple readout models are used. Finally, we discuss important properties revealed by our evaluations such as model scaling, preferred readout model, and data efficiency.
Authors: Zhaolin Ren, Tongzheng Ren, Haitong Ma, Na Li, Bo Dai
Abstract: This paper presents an approach, Spectral Dynamics Embedding Control (SDEC), to optimal control for nonlinear stochastic systems. This method leverages an infinite-dimensional feature to linearly represent the state-action value function and exploits finite-dimensional truncation approximation for practical implementation. To characterize the effectiveness of these finite dimensional approximations, we provide an in-depth theoretical analysis to characterize the approximation error induced by the finite-dimension truncation and statistical error induced by finite-sample approximation in both policy evaluation and policy optimization. Our analysis includes two prominent kernel approximation methods: truncations onto random features and Nystrom features. We also empirically test the algorithm and compare the performance with Koopman-based, iLQR, and energy-based methods on a few benchmark problems.
Authors: Zhenyi Wang, Enneng Yang, Li Shen, Heng Huang
Abstract: Forgetting refers to the loss or deterioration of previously acquired knowledge. While existing surveys on forgetting have primarily focused on continual learning, forgetting is a prevalent phenomenon observed in various other research domains within deep learning. Forgetting manifests in research fields such as generative models due to generator shifts, and federated learning due to heterogeneous data distributions across clients. Addressing forgetting encompasses several challenges, including balancing the retention of old task knowledge with fast learning of new task, managing task interference with conflicting goals, and preventing privacy leakage, etc. Moreover, most existing surveys on continual learning implicitly assume that forgetting is always harmful. In contrast, our survey argues that forgetting is a double-edged sword and can be beneficial and desirable in certain cases, such as privacy-preserving scenarios. By exploring forgetting in a broader context, we present a more nuanced understanding of this phenomenon and highlight its potential advantages. Through this comprehensive survey, we aspire to uncover potential solutions by drawing upon ideas and approaches from various fields that have dealt with forgetting. By examining forgetting beyond its conventional boundaries, we hope to encourage the development of novel strategies for mitigating, harnessing, or even embracing forgetting in real applications. A comprehensive list of papers about forgetting in various research fields is available at \url{https://github.com/EnnengYang/Awesome-Forgetting-in-Deep-Learning}.
URLs: https://github.com/EnnengYang/Awesome-Forgetting-in-Deep-Learning
Authors: Angela Zhou
Abstract: In consequential domains, it is often impossible to compel individuals to take treatment, so that optimal policy rules are merely suggestions in the presence of human non-adherence to treatment recommendations. Under heterogeneity, covariates may predict take-up of treatment and final outcome, but differently. While optimal treatment rules optimize causal outcomes across the population, access parity constraints or other fairness considerations on who receives treatment can be important. For example, in social services, a persistent puzzle is the gap in take-up of beneficial services among those who may benefit from them the most. We study causal identification and robust estimation of optimal treatment rules, including under potential violations of positivity. We consider fairness constraints such as demographic parity in treatment take-up, and other constraints, via constrained optimization. Our framework can be extended to handle algorithmic recommendations under an often-reasonable covariate-conditional exclusion restriction, using our robustness checks for lack of positivity in the recommendation. We develop a two-stage algorithm for solving over parametrized policy classes under general constraints to obtain variance-sensitive regret bounds. We illustrate the methods in three case studies based on data from reminders of SNAP benefits recertification, randomized encouragement to enroll in insurance, and from pretrial supervised release with electronic monitoring. While the specific remedy to inequities in algorithmic allocation is context-specific, it requires studying both take-up of decisions and downstream outcomes of them.
Authors: Anwar Said, Yuying Zhao, Tyler Derr, Mudassir Shabbir, Waseem Abbas, Xenofon Koutsoukos
Abstract: Graph unlearning emerges as a crucial advancement in the pursuit of responsible AI, providing the means to remove sensitive data traces from trained models, thereby upholding the right to be forgotten. It is evident that graph machine learning exhibits sensitivity to data privacy and adversarial attacks, necessitating the application of graph unlearning techniques to address these concerns effectively. In this comprehensive survey paper, we present the first systematic review of graph unlearning approaches, encompassing a diverse array of methodologies and offering a detailed taxonomy and up-to-date literature overview to facilitate the understanding of researchers new to this field. To ensure clarity, we provide lucid explanations of the fundamental concepts and evaluation measures used in graph unlearning, catering to a broader audience with varying levels of expertise. Delving into potential applications, we explore the versatility of graph unlearning across various domains, including but not limited to social networks, adversarial settings, recommender systems, and resource-constrained environments like the Internet of Things, illustrating its potential impact in safeguarding data privacy and enhancing AI systems' robustness. Finally, we shed light on promising research directions, encouraging further progress and innovation within the domain of graph unlearning. By laying a solid foundation and fostering continued progress, this survey seeks to inspire researchers to further advance the field of graph unlearning, thereby instilling confidence in the ethical growth of AI systems and reinforcing the responsible application of machine learning techniques in various domains.
Authors: Deqing Fu, Tian-Qi Chen, Robin Jia, Vatsal Sharan
Abstract: Transformers excel at in-context learning (ICL) -- learning from demonstrations without parameter updates -- but how they do so remains a mystery. Recent work suggests that Transformers may internally run Gradient Descent (GD), a first-order optimization method, to perform ICL. In this paper, we instead demonstrate that Transformers learn to approximate second-order optimization methods for ICL. For in-context linear regression, Transformers share a similar convergence rate as Iterative Newton's Method, both exponentially faster than GD. Empirically, predictions from successive Transformer layers closely match different iterations of Newton's Method linearly, with each middle layer roughly computing 3 iterations; thus, Transformers and Newton's method converge at roughly the same rate. In contrast, Gradient Descent converges exponentially more slowly. We also show that Transformers can learn in-context on ill-conditioned data, a setting where Gradient Descent struggles but Iterative Newton succeeds. Finally, to corroborate our empirical findings, we prove that Transformers can implement $k$ iterations of Newton's method with $k + \mathcal{O}(1)$ layers.
Authors: Yige Zhao, Jianxiang Yu, Yao Cheng, Chengcheng Yu, Yiding Liu, Xiang Li, Shuaiqiang Wang
Abstract: Heterogeneous Information Networks (HINs), which consist of various types of nodes and edges, have recently demonstrated excellent performance in graph mining. However, most existing heterogeneous graph neural networks (HGNNs) ignore the problems of missing attributes, inaccurate attributes and scarce labels for nodes, which limits their expressiveness. In this paper, we propose a generative self-supervised model GraMI to address these issues simultaneously. Specifically, GraMI first initializes all the nodes in the graph with a low-dimensional representation matrix. After that, based on the variational graph autoencoder framework, GraMI learns both node-level and attribute-level embeddings in the encoder, which can provide fine-grained semantic information to construct node attributes. In the decoder, GraMI reconstructs both links and attributes. Instead of directly reconstructing raw features for attributed nodes, GraMI generates the initial low-dimensional representation matrix for all the nodes, based on which raw features of attributed nodes are further reconstructed to leverage accurate attributes. In this way, GraMI can not only complete informative features for non-attributed nodes, but rectify inaccurate ones for attributed nodes. Finally, we conduct extensive experiments to show the superiority of GraMI in tackling HINs with missing and inaccurate attributes.
Authors: Peisong Niu, Tian Zhou, Xue Wang, Liang Sun, Rong Jin
Abstract: In the burgeoning domain of Large Language Models (LLMs), there is a growing interest in applying LLM to time series forecasting, with multiple studies focused on leveraging textual prompts to further enhance the predictive prowess. This study aims to understand how and why the integration of textual prompts into LLM can effectively improve the prediction accuracy of time series, which is not obvious at the glance, given the significant domain gap between texts and time series. Our extensive examination leads us to believe that (a) adding text prompts is roughly equivalent to introducing additional adapters, and (b) It is the introduction of learnable parameters rather than textual information that aligns the LLM with the time series forecasting task, ultimately enhancing prediction accuracy. Inspired by this discovery, we developed four adapters that explicitly address the gap between LLM and time series, and further improve the prediction accuracy. Overall,our work highlights how textual prompts enhance LLM accuracy in time series forecasting and suggests new avenues for continually improving LLM-based time series analysis.
Authors: Yuxuan Li, Tianxin Xie, Chenang Liu, Zhangyue Shi
Abstract: The incorporation of advanced sensors and machine learning techniques has enabled modern manufacturing enterprises to perform data-driven classification-based anomaly detection based on the sensor data collected in manufacturing processes. However, one critical challenge is that newly presented defect category may manifest as the manufacturing process continues, resulting in monitoring performance deterioration of previously trained machine learning models. Hence, there is an increasing need for empowering machine learning models to learn continually. Among all continual learning methods, memory-based continual learning has the best performance but faces the constraints of data storage capacity. To address this issue, this paper develops a novel pseudo replay-based continual learning framework by integrating class incremental learning and oversampling-based data generation. Without storing all the data, the developed framework could generate high-quality data representing previous classes to train machine learning model incrementally when new category anomaly occurs. In addition, it could even enhance the monitoring performance since it also effectively improves the data quality. The effectiveness of the proposed framework is validated in three cases studies, which leverages supervised classification problem for anomaly detection. The experimental results show that the developed method is very promising in detecting novel anomaly while maintaining a good performance on the previous task and brings up more flexibility in model architecture.
Authors: Azmine Toushik Wasi, MD Shafikul Islam, Adipto Raihan Akib
Abstract: Graph Neural Networks (GNNs) have gained traction across different domains such as transportation, bio-informatics, language processing, and computer vision. However, there is a noticeable absence of research on applying GNNs to supply chain networks. Supply chain networks are inherently graph-like in structure, making them prime candidates for applying GNN methodologies. This opens up a world of possibilities for optimizing, predicting, and solving even the most complex supply chain problems. A major setback in this approach lies in the absence of real-world benchmark datasets to facilitate the research and resolution of supply chain problems using GNNs. To address the issue, we present a real-world benchmark dataset for temporal tasks, obtained from one of the leading FMCG companies in Bangladesh, focusing on supply chain planning for production purposes. The dataset includes temporal data as node features to enable sales predictions, production planning, and the identification of factory issues. By utilizing this dataset, researchers can employ GNNs to address numerous supply chain problems, thereby advancing the field of supply chain analytics and planning. Source: https://github.com/CIOL-SUST/SupplyGraph
Authors: Yuyuan Feng, Guosheng Hu, Xiaodong Li, Zhihong Zhang
Abstract: Health modeling of lithium-ion batteries (LIBs) is crucial for safe and efficient energy management and carries significant socio-economic implications. Although Machine Learning (ML)-based State of Health (SOH) estimation methods have made significant progress in accuracy, the scarcity of high-quality LIB data remains a major obstacle. Existing transfer learning methods for cross-domain LIB SOH estimation have significantly alleviated the labeling burden of target LIB data, however, they still require sufficient unlabeled target data (UTD) for effective adaptation to the target domain. Collecting this UTD is challenging due to the time-consuming nature of degradation experiments. To address this issue, we introduce a practical Test-Time Training framework, BatteryTTT, which adapts the model continually using each UTD collected amidst degradation, thereby significantly reducing data collection time. To fully utilize each UTD, BatteryTTT integrates the inherent physical laws of modern LIBs into self-supervised learning, termed Physcics-Guided Test-Time Training. Additionally, we explore the potential of large language models (LLMs) in battery sequence modeling by evaluating their performance in SOH estimation through model reprogramming and prefix prompt adaptation. The combination of BatteryTTT and LLM modeling, termed GPT4Battery, achieves state-of-the-art generalization results across current LIB benchmarks. Furthermore, we demonstrate the practical value and scalability of our approach by deploying it in our real-world battery management system (BMS) for 300Ah large-scale energy storage LIBs.
Authors: Eslam Eldeeb, Houssem Sifaou, Osvaldo Simeone, Mohammad Shehab, Hirley Alves
Abstract: Reinforcement learning (RL) has been widely adopted for controlling and optimizing complex engineering systems such as next-generation wireless networks. An important challenge in adopting RL is the need for direct access to the physical environment. This limitation is particularly severe in multi-agent systems, for which conventional multi-agent reinforcement learning (MARL) requires a large number of coordinated online interactions with the environment during training. When only offline data is available, a direct application of online MARL schemes would generally fail due to the epistemic uncertainty entailed by the lack of exploration during training. In this work, we propose an offline MARL scheme that integrates distributional RL and conservative Q-learning to address the environment's inherent aleatoric uncertainty and the epistemic uncertainty arising from the use of offline data. We explore both independent and joint learning strategies. The proposed MARL scheme, referred to as multi-agent conservative quantile regression, addresses general risk-sensitive design criteria and is applied to the trajectory planning problem in drone networks, showcasing its advantages.
Authors: Hiroki Furuta, Gouki Minegishi, Yusuke Iwasawa, Yutaka Matsuo
Abstract: Grokking has been actively explored to reveal the mystery of delayed generalization and identifying interpretable representations and algorithms inside the grokked models is a suggestive hint to understanding its mechanism. Grokking on modular addition has been known to implement Fourier representation and its calculation circuits with trigonometric identities in Transformers. Considering the periodicity in modular arithmetic, the natural question is to what extent these explanations and interpretations hold for the grokking on other modular operations beyond addition. For a closer look, we first hypothesize that any modular operations can be characterized with distinctive Fourier representation or internal circuits, grokked models obtain common features transferable among similar operations, and mixing datasets with similar operations promotes grokking. Then, we extensively examine them by learning Transformers on complex modular arithmetic tasks, including polynomials. Our Fourier analysis and novel progress measure for modular arithmetic, Fourier Frequency Density and Fourier Coefficient Ratio, characterize distinctive internal representations of grokked models per modular operation; for instance, polynomials often result in the superposition of the Fourier components seen in elementary arithmetic, but clear patterns do not emerge in challenging non-factorizable polynomials. In contrast, our ablation study on the pre-grokked models reveals that the transferability among the models grokked with each operation can be only limited to specific combinations, such as from elementary arithmetic to linear expressions. Moreover, some multi-task mixtures may lead to co-grokking -- where grokking simultaneously happens for all the tasks -- and accelerate generalization, while others may not find optimal solutions. We provide empirical steps towards the interpretability of internal circuits.
Authors: Leon Lang, Davis Foote, Stuart Russell, Anca Dragan, Erik Jenner, Scott Emmons
Abstract: Past analyses of reinforcement learning from human feedback (RLHF) assume that the human evaluators fully observe the environment. What happens when human feedback is based only on partial observations? We formally define two failure cases: deceptive inflation and overjustification. Modeling the human as Boltzmann-rational w.r.t. a belief over trajectories, we prove conditions under which RLHF is guaranteed to result in policies that deceptively inflate their performance, overjustify their behavior to make an impression, or both. Under the new assumption that the human's partial observability is known and accounted for, we then analyze how much information the feedback process provides about the return function. We show that sometimes, the human's feedback determines the return function uniquely up to an additive constant, but in other realistic cases, there is irreducible ambiguity. We propose exploratory research directions to help tackle these challenges, experimentally validate both the theoretical concerns and potential mitigations, and caution against blindly applying RLHF in partially observable settings.
Authors: Ziting Wen, Oscar Pizarro, Stefan Williams
Abstract: Fine-tuning the pre-trained model with active learning holds promise for reducing annotation costs. However, this combination introduces significant computational costs, particularly with the growing scale of pre-trained models. Recent research has proposed proxy-based active learning, which pre-computes features to reduce computational costs. Yet, this approach often incurs a significant loss in active learning performance, sometimes outweighing the computational cost savings. This paper demonstrates that not all sample selection differences result in performance degradation. Furthermore, we show that suitable training methods can mitigate the decline of active learning performance caused by certain selection discrepancies. Building upon detailed analysis, we propose a novel method, aligned selection via proxy, which improves proxy-based active learning performance by updating pre-computed features and selecting a proper training method. Extensive experiments validate that our method improves the total cost of efficient active learning while maintaining computational efficiency. The code is available at \url{https://github.com/ZiTingW/asvp}.
Authors: Yang Xu, Yihong Gu, Cong Fang
Abstract: Models are expected to engage in invariance learning, which involves distinguishing the core relations that remain consistent across varying environments to ensure the predictions are safe, robust and fair. {While existing works consider specific algorithms to realize invariance learning, we show that model has the potential to learn invariance through standard training procedures. In other words, this paper studies the implicit bias of Stochastic Gradient Descent (SGD) over heterogeneous data and shows that the implicit bias drives the model learning towards an invariant solution. We call the phenomenon the \emph{{implicit invariance learning}}}. Specifically, we theoretically investigate the multi-environment low-rank matrix sensing problem where in each environment, the signal comprises (i) a lower-rank invariant part shared across all environments; and (ii) a significantly varying environment-dependent spurious component. The key insight is, through simply employing the large step size large-batch SGD sequentially in each environment without any explicit regularization, the oscillation caused by heterogeneity can provably prevent model learning spurious signals. The model reaches the invariant solution after certain iterations. In contrast, model learned using pooled SGD over all data would simultaneously learn both the invariant and spurious signals. Overall, we unveil another implicit bias that is a result of the symbiosis between the heterogeneity of data and modern algorithms, which is, to the best of our knowledge, first in the literature.thms, which is, to the best of our knowledge, first in the literature.
Authors: Sotirios Panagiotis Chytas, Vishnu Suresh Lokhande, Peiran Li, Vikas Singh
Abstract: Small sample sizes are common in many disciplines, which necessitates pooling roughly similar datasets across multiple institutions to study weak but relevant associations between images and disease outcomes. Such data often manifest shift/imbalance in covariates (i.e., secondary non-imaging data). Controlling for such nuisance variables is common within standard statistical analysis, but the ideas do not directly apply to overparameterized models. Consequently, recent work has shown how strategies from invariant representation learning provides a meaningful starting point, but the current repertoire of methods is limited to accounting for shifts/imbalances in just a couple of covariates at a time. In this paper, we show how viewing this problem from the perspective of Category theory provides a simple and effective solution that completely avoids elaborate multi-stage training pipelines that would otherwise be needed. We show the effectiveness of this approach via extensive experiments on real datasets. Further, we discuss how this style of formulation offers a unified perspective on at least 5+ distinct problem settings, from self-supervised learning to matching problems in 3D reconstruction.
Authors: Sepideh Neshatfar, Salimeh Yasaei Sekeh
Abstract: Graph neural networks (GNNs) have attracted significant attention for their outstanding performance in graph learning and node classification tasks. However, their vulnerability to adversarial attacks, particularly through susceptible nodes, poses a challenge in decision-making. The need for robust graph summarization is evident in adversarial challenges resulting from the propagation of attacks throughout the entire graph. In this paper, we address both performance and adversarial robustness in graph input by introducing the novel technique SHERD (Subgraph Learning Hale through Early Training Representation Distances). SHERD leverages information from layers of a partially trained graph convolutional network (GCN) to detect susceptible nodes during adversarial attacks using standard distance metrics. The method identifies "vulnerable (bad)" nodes and removes such nodes to form a robust subgraph while maintaining node classification performance. Through our experiments, we demonstrate the increased performance of SHERD in enhancing robustness by comparing the network's performance on original and subgraph inputs against various baselines alongside existing adversarial attacks. Our experiments across multiple datasets, including citation datasets such as Cora, Citeseer, and Pubmed, as well as microanatomical tissue structures of cell graphs in the placenta, highlight that SHERD not only achieves substantial improvement in robust performance but also outperforms several baselines in terms of node classification accuracy and computational complexity.
Authors: Nikhil P Ghanathe, Steven J E Wilton
Abstract: Uncertainty quantification (UQ) provides a resource-efficient solution for on-device monitoring of tinyML models deployed without access to true labels. However, existing UQ methods impose significant memory and compute demands, making them impractical for ultra-low-power, KB-sized TinyML devices. Prior work has attempted to reduce overhead by using early-exit ensembles to quantify uncertainty in a single forward pass, but these approaches still carry prohibitive costs. To address this, we propose QUTE, a novel resource-efficient early-exit-assisted ensemble architecture optimized for tinyML models. QUTE introduces additional output blocks at the final exit of the base network, distilling early-exit knowledge into these blocks to form a diverse yet lightweight ensemble. We show that QUTE delivers superior uncertainty quality on tiny models, achieving comparable performance on larger models with 59% smaller model sizes than the closest prior work. When deployed on a microcontroller, QUTE demonstrates a 31% reduction in latency on average. In addition, we show that QUTE excels at detecting accuracy-drop events, outperforming all prior works.
Authors: Lu Han, Xu-Yang Chen, Han-Jia Ye, De-Chuan Zhan
Abstract: Multivariate time series forecasting plays a crucial role in various fields such as finance, traffic management, energy, and healthcare. Recent studies have highlighted the advantages of channel independence to resist distribution drift but neglect channel correlations, limiting further enhancements. Several methods utilize mechanisms like attention or mixer to address this by capturing channel correlations, but they either introduce excessive complexity or rely too heavily on the correlation to achieve satisfactory results under distribution drifts, particularly with a large number of channels. Addressing this gap, this paper presents an efficient MLP-based model, the Series-cOre Fused Time Series forecaster (SOFTS), which incorporates a novel STar Aggregate-Redistribute (STAR) module. Unlike traditional approaches that manage channel interactions through distributed structures, \textit{e.g.}, attention, STAR employs a centralized strategy to improve efficiency and reduce reliance on the quality of each channel. It aggregates all series to form a global core representation, which is then dispatched and fused with individual series representations to facilitate channel interactions effectively.SOFTS achieves superior performance over existing state-of-the-art methods with only linear complexity. The broad applicability of the STAR module across different forecasting models is also demonstrated empirically. For further research and development, we have made our code publicly available at https://github.com/Secilia-Cxy/SOFTS.
Authors: Wei Huang, Bingyang Zhang, Kaituo Zhang, Hua Gao, Rongchun Wan
Abstract: The task of anomaly detection is to separate anomalous data from normal data in the dataset. Models such as deep convolutional autoencoder (CAE) network and deep supporting vector data description (SVDD) model have been universally employed and have demonstrated significant success in detecting anomalies. However, the over-reconstruction ability of CAE network for anomalous data can easily lead to high false negative rate in detecting anomalous data. On the other hand, the deep SVDD model has the drawback of feature collapse, which leads to a decrease of detection accuracy for anomalies. To address these problems, we propose the Improved AutoEncoder with LSTM module and Kullback-Leibler divergence (IAE-LSTM-KL) model in this paper. An LSTM network is added after the encoder to memorize feature representations of normal data. In the meanwhile, the phenomenon of feature collapse can also be mitigated by penalizing the featured input to SVDD module via KL divergence. The efficacy of the IAE-LSTM-KL model is validated through experiments on both synthetic and real-world datasets. Experimental results show that IAE-LSTM-KL model yields higher detection accuracy for anomalies. In addition, it is also found that the IAE-LSTM-KL model demonstrates enhanced robustness to contaminated outliers in the dataset. All code may be found at https://github.com/crazyn2/IAE-LSTM-KL_codes
Authors: Bo Yan, Sihao He, Cheng Yang, Shang Liu, Yang Cao, Chuan Shi
Abstract: Graph condensation, which reduces the size of a large-scale graph by synthesizing a small-scale condensed graph as its substitution, has immediately benefited various graph learning tasks. However, existing graph condensation methods rely on centralized data storage, which is unfeasible for real-world decentralized data distribution, and overlook data holders' privacy-preserving requirements. To bridge the gap, we propose and study the novel problem of federated graph condensation for graph neural networks (GNNs). Specifically, we first propose a general framework for federated graph condensation, in which we decouple the typical gradient matching process for graph condensation into client-side gradient calculation and server-side gradient matching. In this way, the burdensome computation cost in client-side is largely alleviated. Besides, our empirical studies show that under the federated setting, the condensed graph will consistently leak data membership privacy, i.e., the condensed graph during the federated training can be utilized to steal the training data under the membership inference attacks (MIA). To tackle this issue, we innovatively incorporate information bottleneck principles into the federated graph condensation, which only needs to extract partial node features in one local pre-training step and utilize the features during federated training. Extensive experiments on real-world datasets demonstrate that our framework can consistently protect membership privacy during training. Meanwhile, it also achieves comparable and even superior performance against existing centralized graph condensation and federated graph learning methods.
Authors: Jan Pablo Burgard, Jo\~ao Vitor Pamplona
Abstract: When using machine learning for automated prediction, it is important to account for fairness in the prediction. Fairness in machine learning aims to ensure that biases in the data and model inaccuracies do not lead to discriminatory decisions. E.g., predictions from fair machine learning models should not discriminate against sensitive variables such as sexual orientation and ethnicity. The training data often in obtained from social surveys. In social surveys, oftentimes the data collection process is a strata sampling, e.g. due to cost restrictions. In strata samples, the assumption of independence between the observation is not fulfilled. Hence, if the machine learning models do not account for the strata correlations, the results may be biased. Especially high is the bias in cases where the strata assignment is correlated to the variable of interest. We present in this paper an algorithm that can handle both problems simultaneously, and we demonstrate the impact of stratified sampling on the quality of fair machine learning predictions in a reproducible simulation study.
Authors: Chengyang Ying, Zhongkai Hao, Xinning Zhou, Xuezhou Xu, Hang Su, Xingxing Zhang, Jun Zhu
Abstract: Designing generalizable agents capable of adapting to diverse embodiments has achieved significant attention in Reinforcement Learning (RL), which is critical for deploying RL agents in various real-world applications. Previous Cross-Embodiment RL approaches have focused on transferring knowledge across embodiments within specific tasks. These methods often result in knowledge tightly coupled with those tasks and fail to adequately capture the distinct characteristics of different embodiments. To address this limitation, we introduce the notion of Cross-Embodiment Unsupervised RL (CEURL), which leverages unsupervised learning to enable agents to acquire embodiment-aware and task-agnostic knowledge through online interactions within reward-free environments. We formulate CEURL as a novel Controlled Embodiment Markov Decision Process (CE-MDP) and systematically analyze CEURL's pre-training objectives under CE-MDP. Based on these analyses, we develop a novel algorithm Pre-trained Embodiment-Aware Control (PEAC) for handling CEURL, incorporating an intrinsic reward function specifically designed for cross-embodiment pre-training. PEAC not only provides an intuitive optimization strategy for cross-embodiment pre-training but also can integrate flexibly with existing unsupervised RL methods, facilitating cross-embodiment exploration and skill discovery. Extensive experiments in both simulated (e.g., DMC and Robosuite) and real-world environments (e.g., legged locomotion) demonstrate that PEAC significantly improves adaptation performance and cross-embodiment generalization, demonstrating its effectiveness in overcoming the unique challenges of CEURL. The project page and code are in https://yingchengyang.github.io/ceurl.
Authors: Minh Le, An Nguyen, Huy Nguyen, Trang Nguyen, Trang Pham, Linh Van Ngo, Nhat Ho
Abstract: Exploiting the power of pre-trained models, prompt-based approaches stand out compared to other continual learning solutions in effectively preventing catastrophic forgetting, even with very few learnable parameters and without the need for a memory buffer. While existing prompt-based continual learning methods excel in leveraging prompts for state-of-the-art performance, they often lack a theoretical explanation for the effectiveness of prompting. This paper conducts a theoretical analysis to unravel how prompts bestow such advantages in continual learning, thus offering a new perspective on prompt design. We first show that the attention block of pre-trained models like Vision Transformers inherently encodes a special mixture of experts architecture, characterized by linear experts and quadratic gating score functions. This realization drives us to provide a novel view on prefix tuning, reframing it as the addition of new task-specific experts, thereby inspiring the design of a novel gating mechanism termed Non-linear Residual Gates (NoRGa). Through the incorporation of non-linear activation and residual connection, NoRGa enhances continual learning performance while preserving parameter efficiency. The effectiveness of NoRGa is substantiated both theoretically and empirically across diverse benchmarks and pretraining paradigms. Our code is publicly available at https://github.com/Minhchuyentoancbn/MoE_PromptCL
Authors: Jingyi Chen, Ju-Seung Byun, Micha Elsner, Andrew Perrault
Abstract: Recent advancements in generative models have sparked a significant interest within the machine learning community. Particularly, diffusion models have demonstrated remarkable capabilities in synthesizing images and speech. Studies such as those by Lee et al. (2023), Black et al. (2023), Wang et al. (2023), and Fan et al. (2024) illustrate that Reinforcement Learning with Human Feedback (RLHF) can enhance diffusion models for image synthesis. However, due to architectural differences between these models and those employed in speech synthesis, it remains uncertain whether RLHF could similarly benefit speech synthesis models. In this paper, we explore the practical application of RLHF to diffusion-based text-to-speech synthesis, leveraging the mean opinion score (MOS) as predicted by UTokyo-SaruLab MOS prediction system (Saeki et al., 2022) as a proxy loss. We introduce diffusion model loss-guided RL policy optimization (DLPO) and compare it against other RLHF approaches, employing the NISQA speech quality and naturalness assessment model (Mittag et al., 2021) and human preference experiments for further evaluation. Our results show that RLHF can enhance diffusion-based text-to-speech synthesis models, and, moreover, DLPO can better improve diffusion models in generating natural and high quality speech audios.
Authors: Junlin Wu, Huan Zhang, Yevgeniy Vorobeychik
Abstract: Learning reliably safe autonomous control is one of the core problems in trustworthy autonomy. However, training a controller that can be formally verified to be safe remains a major challenge. We introduce a novel approach for learning verified safe control policies in nonlinear neural dynamical systems while maximizing overall performance. Our approach aims to achieve safety in the sense of finite-horizon reachability proofs, and is comprised of three key parts. The first is a novel curriculum learning scheme that iteratively increases the verified safe horizon. The second leverages the iterative nature of gradient-based learning to leverage incremental verification, reusing information from prior verification runs. Finally, we learn multiple verified initial-state-dependent controllers, an idea that is especially valuable for more complex domains where learning a single universal verified safe controller is extremely challenging. Our experiments on five safe control problems demonstrate that our trained controllers can achieve verified safety over horizons that are as much as an order of magnitude longer than state-of-the-art baselines, while maintaining high reward, as well as a perfect safety record over entire episodes. Our code is available at https://github.com/jlwu002/VSRL.
Authors: Yizhi Wang, Minjia Chen, Chunhui Yao, Jie Ma, Ting Yan, Richard Penty, Qixiang Cheng
Abstract: Photonic neural networks (PNNs) are fast in-propagation and high bandwidth paradigms that aim to popularize reproducible NN acceleration with higher efficiency and lower cost. However, the training of PNN is known to be a challenge, where the device-to-device and system-to-system variations create imperfect knowledge of the PNN. Despite backpropagation (BP)-based training algorithms often being the industry standard for their robustness, generality, and fast gradient convergence for digital training, existing PNN-BP methods rely heavily on the accurate intermediate state extraction for a deep PNN (DPNN). These information accesses truncate the photonic signal propagation, bottlenecking DPNN's operation speed and increasing the system construction cost. Here, we introduce the asymmetrical training (AT) method, tailored for encapsulated DPNNs, where the signal is preserved in the analogue photonic domain for the entire structure. AT's minimum information readout for training bypasses analogue-digital interfaces wherever possible for fast operation and minimum system footprint. AT's error tolerance and generality aim to promote PNN acceleration in a widened operational scenario despite the fabrication variations and imperfect controls. We demonstrated AT for encapsulated DPNN with integrated photonic chips, repeatably enhancing the performance from in-silico BP for different network structures and datasets.
Authors: Yunuo Chen, Tianyi Xie, Zeshun Zong, Xuan Li, Feng Gao, Yin Yang, Ying Nian Wu, Chenfanfu Jiang
Abstract: Existing diffusion-based text-to-3D generation methods primarily focus on producing visually realistic shapes and appearances, often neglecting the physical constraints necessary for downstream tasks. Generated models frequently fail to maintain balance when placed in physics-based simulations or 3D printed. This balance is crucial for satisfying user design intentions in interactive gaming, embodied AI, and robotics, where stable models are needed for reliable interaction. Additionally, stable models ensure that 3D-printed objects, such as figurines for home decoration, can stand on their own without requiring additional supports. To fill this gap, we introduce Atlas3D, an automatic and easy-to-implement method that enhances existing Score Distillation Sampling (SDS)-based text-to-3D tools. Atlas3D ensures the generation of self-supporting 3D models that adhere to physical laws of stability under gravity, contact, and friction. Our approach combines a novel differentiable simulation-based loss function with physically inspired regularization, serving as either a refinement or a post-processing module for existing frameworks. We verify Atlas3D's efficacy through extensive generation tasks and validate the resulting 3D models in both simulated and real-world environments.
Authors: Yifei Wang, Yuyang Wu, Zeming Wei, Stefanie Jegelka, Yisen Wang
Abstract: Going beyond mimicking limited human experiences, recent studies show initial evidence that, like humans, large language models (LLMs) are capable of improving their abilities purely by self-correction, i.e., correcting previous responses through self-examination, in certain circumstances. Nevertheless, little is known about how such capabilities arise. In this work, based on a simplified setup akin to an alignment task, we theoretically analyze self-correction from an in-context learning perspective, showing that when LLMs give relatively accurate self-examinations as rewards, they are capable of refining responses in an in-context way. Notably, going beyond previous theories on over-simplified linear transformers, our theoretical construction underpins the roles of several key designs of realistic transformers for self-correction: softmax attention, multi-head attention, and the MLP block. We validate these findings extensively on synthetic datasets. Inspired by these findings, we also illustrate novel applications of self-correction, such as defending against LLM jailbreaks, where a simple self-correction step does make a large difference. We believe that these findings will inspire further research on understanding, exploiting, and enhancing self-correction for building better foundation models.
Authors: Charles Westphal, Stephen Hailes, Mirco Musolesi
Abstract: In this paper, we introduce Partial Information Decomposition of Features (PIDF), a new paradigm for simultaneous data interpretability and feature selection. Contrary to traditional methods that assign a single importance value, our approach is based on three metrics per feature: the mutual information shared with the target variable, the feature's contribution to synergistic information, and the amount of this information that is redundant. In particular, we develop a novel procedure based on these three metrics, which reveals not only how features are correlated with the target but also the additional and overlapping information provided by considering them in combination with other features. We extensively evaluate PIDF using both synthetic and real-world data, demonstrating its potential applications and effectiveness, by considering case studies from genetics and neuroscience.
Authors: Jung H. Lee, Sujith Vijayan
Abstract: Deep learning (DL) enables deep neural networks (DNNs) to automatically learn complex tasks or rules from given examples without instructions or guiding principles. As we do not engineer DNNs' functions, it is extremely difficult to diagnose their decisions, and multiple lines of studies proposed to explain the principles of their operations. Notably, one line of studies suggests that DNNs may learn concepts, the high level features that are recognizable to humans. In this study, we extend this line of studies and hypothesize that DNNs can develop abstract codes that can be used to augment DNNs' decision-making. To address this hypothesis, we combine foundation segmentation models and unsupervised learning to extract internal codes and identify potential use of abstract codes to make DL's decision-making more reliable and safer.
Authors: Seok-Ju Hahn, Gi-Soo Kim, Junghye Lee
Abstract: In traditional federated learning, a single global model cannot perform equally well for all clients. Therefore, the need to achieve the client-level fairness in federated system has been emphasized, which can be realized by modifying the static aggregation scheme for updating the global model to an adaptive one, in response to the local signals of the participating clients. Our work reveals that existing fairness-aware aggregation strategies can be unified into an online convex optimization framework, in other words, a central server's sequential decision making process. To enhance the decision making capability, we propose simple and intuitive improvements for suboptimal designs within existing methods, presenting AAggFF. Considering practical requirements, we further subdivide our method tailored for the cross-device and the cross-silo settings, respectively. Theoretical analyses guarantee sublinear regret upper bounds for both settings: $\mathcal{O}(\sqrt{T \log{K}})$ for the cross-device setting, and $\mathcal{O}(K \log{T})$ for the cross-silo setting, with $K$ clients and $T$ federation rounds. Extensive experiments demonstrate that the federated system equipped with AAggFF achieves better degree of client-level fairness than existing methods in both practical settings. Code is available at https://github.com/vaseline555/AAggFF
Authors: Xinyin Ma, Gongfan Fang, Michael Bi Mi, Xinchao Wang
Abstract: Diffusion Transformers have recently demonstrated unprecedented generative capabilities for various tasks. The encouraging results, however, come with the cost of slow inference, since each denoising step requires inference on a transformer model with a large scale of parameters. In this study, we make an interesting and somehow surprising observation: the computation of a large proportion of layers in the diffusion transformer, through introducing a caching mechanism, can be readily removed even without updating the model parameters. In the case of U-ViT-H/2, for example, we may remove up to 93.68% of the computation in the cache steps (46.84% for all steps), with less than 0.01 drop in FID. To achieve this, we introduce a novel scheme, named Learning-to-Cache (L2C), that learns to conduct caching in a dynamic manner for diffusion transformers. Specifically, by leveraging the identical structure of layers in transformers and the sequential nature of diffusion, we explore redundant computations between timesteps by treating each layer as the fundamental unit for caching. To address the challenge of the exponential search space in deep models for identifying layers to cache and remove, we propose a novel differentiable optimization objective. An input-invariant yet timestep-variant router is then optimized, which can finally produce a static computation graph. Experimental results show that L2C largely outperforms samplers such as DDIM and DPM-Solver, alongside prior cache-based methods at the same inference speed. Code is available at https://github.com/horseee/learning-to-cache
Authors: Alexander Denker, Francisco Vargas, Shreyas Padhy, Kieran Didi, Simon Mathis, Vincent Dutordoir, Riccardo Barbano, Emile Mathieu, Urszula Julia Komorowska, Pietro Lio
Abstract: Generative modelling paradigms based on denoising diffusion processes have emerged as a leading candidate for conditional sampling in inverse problems. In many real-world applications, we often have access to large, expensively trained unconditional diffusion models, which we aim to exploit for improving conditional sampling. Most recent approaches are motivated heuristically and lack a unifying framework, obscuring connections between them. Further, they often suffer from issues such as being very sensitive to hyperparameters, being expensive to train or needing access to weights hidden behind a closed API. In this work, we unify conditional training and sampling using the mathematically well-understood Doob's h-transform. This new perspective allows us to unify many existing methods under a common umbrella. Under this framework, we propose DEFT (Doob's h-transform Efficient FineTuning), a new approach for conditional generation that simply fine-tunes a very small network to quickly learn the conditional $h$-transform, while keeping the larger unconditional network unchanged. DEFT is much faster than existing baselines while achieving state-of-the-art performance across a variety of linear and non-linear benchmarks. On image reconstruction tasks, we achieve speedups of up to 1.6$\times$, while having the best perceptual quality on natural images and reconstruction performance on medical images. Further, we also provide initial experiments on protein motif scaffolding and outperform reconstruction guidance methods.
Authors: Denis Tarasov, Kirill Brilliantov, Dmitrii Kharlapenko
Abstract: In deep Reinforcement Learning (RL), value functions are typically approximated using deep neural networks and trained via mean squared error regression objectives to fit the true value functions. Recent research has proposed an alternative approach, utilizing the cross-entropy classification objective, which has demonstrated improved performance and scalability of RL algorithms. However, existing study have not extensively benchmarked the effects of this replacement across various domains, as the primary objective was to demonstrate the efficacy of the concept across a broad spectrum of tasks, without delving into in-depth analysis. Our work seeks to empirically investigate the impact of such a replacement in an offline RL setup and analyze the effects of different aspects on performance. Through large-scale experiments conducted across a diverse range of tasks using different algorithms, we aim to gain deeper insights into the implications of this approach. Our results reveal that incorporating this change can lead to superior performance over state-of-the-art solutions for some algorithms in certain tasks, while maintaining comparable performance levels in other tasks, however for other algorithms this modification might lead to the dramatic performance drop. This findings are crucial for further application of classification approach in research and practical tasks.
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 with many and/or imbalanced classes. 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: Maxime Darrin, Philippe Formont, Ismail Ben Ayed, Jackie CK Cheung, Pablo Piantanida
Abstract: Embedders play a central role in machine learning, projecting any object into numerical representations that can, in turn, be leveraged to perform various downstream tasks. The evaluation of embedding models typically depends on domain-specific empirical approaches utilizing downstream tasks, primarily because of the lack of a standardized framework for comparison. However, acquiring adequately large and representative datasets for conducting these assessments is not always viable and can prove to be prohibitively expensive and time-consuming. In this paper, we present a unified approach to evaluate embedders. First, we establish theoretical foundations for comparing embedding models, drawing upon the concepts of sufficiency and informativeness. We then leverage these concepts to devise a tractable comparison criterion (information sufficiency), leading to a task-agnostic and self-supervised ranking procedure. We demonstrate experimentally that our approach aligns closely with the capability of embedding models to facilitate various downstream tasks in both natural language processing and molecular biology. This effectively offers practitioners a valuable tool for prioritizing model trials.
Authors: Jaehyun Nam, Kyuyoung Kim, Seunghyuk Oh, Jihoon Tack, Jaehyung Kim, Jinwoo Shin
Abstract: In tabular prediction tasks, tree-based models combined with automated feature engineering methods often outperform deep learning approaches that rely on learned representations. While these feature engineering techniques are effective, they typically depend on a pre-defined search space and primarily use validation scores for feature selection, thereby missing valuable insights from previous experiments. To address these limitations, we propose a novel tabular learning framework that utilizes large language models (LLMs), termed Optimizing Column feature generator with decision Tree reasoning (OCTree). Our key idea is to leverage the reasoning capabilities of LLMs to identify effective feature generation rules without manually specifying the search space and provide language-based reasoning information highlighting past experiments as feedback for iterative rule improvements. We use decision trees to convey this reasoning information, as they can be easily represented in natural language, effectively providing knowledge from prior experiments (i.e., the impact of the generated features on performance) to the LLMs. Our empirical results demonstrate that OCTree consistently enhances the performance of various prediction models across diverse benchmarks, outperforming competing automated feature engineering methods. Code is available at https://github.com/jaehyun513/OCTree.
Authors: Lin Fan, Yafei Ou, Cenyang Zheng, Pengyu Dai, Tamotsu Kamishima, Masayuki Ikebe, Kenji Suzuki, Xun Gong
Abstract: Multi-modal learning has shown exceptional performance in various tasks, especially in medical applications, where it integrates diverse medical information for comprehensive diagnostic evidence. However, there still are several challenges in multi-modal learning, 1. Heterogeneity between modalities, 2. uncertainty in missing modalities, 3. influence of intrinsic noise, and 4. interpretability for fusion result. This paper introduces the Modal-Domain Attention (MDA) model to address the above challenges. MDA constructs linear relationships between modalities through continuous attention, due to its ability to adaptively allocate dynamic attention to different modalities, MDA can reduce attention to low-correlation data, missing modalities, or modalities with inherent noise, thereby maintaining SOTA performance across various tasks on multiple public datasets. Furthermore, our observations on the contribution of different modalities indicate that MDA aligns with established clinical diagnostic imaging gold standards and holds promise as a reference for pathologies where these standards are not yet clearly defined. The code and dataset will be available.
Authors: Yuval Dagan, Constantinos Daskalakis, Maxwell Fishelson, Noah Golowich, Robert Kleinberg, Princewill Okoroafor
Abstract: A set of probabilistic forecasts is calibrated if each prediction of the forecaster closely approximates the empirical distribution of outcomes on the subset of timesteps where that prediction was made. We study the fundamental problem of online calibrated forecasting of binary sequences, which was initially studied by Foster & Vohra (1998). They derived an algorithm with $O(T^{2/3})$ calibration error after $T$ time steps, and showed a lower bound of $\Omega(T^{1/2})$. These bounds remained stagnant for two decades, until Qiao & Valiant (2021) improved the lower bound to $\Omega(T^{0.528})$ by introducing a combinatorial game called sign preservation and showing that lower bounds for this game imply lower bounds for calibration. In this paper, we give the first improvement to the $O(T^{2/3})$ upper bound on calibration error of Foster & Vohra. We do this by introducing a variant of Qiao & Valiant's game that we call sign preservation with reuse (SPR). We prove that the relationship between SPR and calibrated forecasting is bidirectional: not only do lower bounds for SPR translate into lower bounds for calibration, but algorithms for SPR also translate into new algorithms for calibrated forecasting. We then give an improved \emph{upper bound} for the SPR game, which implies, via our equivalence, a forecasting algorithm with calibration error $O(T^{2/3 - \varepsilon})$ for some $\varepsilon > 0$, improving Foster & Vohra's upper bound for the first time. Using similar ideas, we then prove a slightly stronger lower bound than that of Qiao & Valiant, namely $\Omega(T^{0.54389})$. Our lower bound is obtained by an oblivious adversary, marking the first $\omega(T^{1/2})$ calibration lower bound for oblivious adversaries.
Authors: Jithendaraa Subramanian, Shivakanth Sujit, Niloy Irtisam, Umong Sain, Riashat Islam, Derek Nowrouzezahrai, Samira Ebrahimi Kahou
Abstract: Protein sequence design, determined by amino acid sequences, are essential to protein engineering problems in drug discovery. Prior approaches have resorted to evolutionary strategies or Monte-Carlo methods for protein design, but often fail to exploit the structure of the combinatorial search space, to generalize to unseen sequences. In the context of discrete black box optimization over large search spaces, learning a mutation policy to generate novel sequences with reinforcement learning is appealing. Recent advances in protein language models (PLMs) trained on large corpora of protein sequences offer a potential solution to this problem by scoring proteins according to their biological plausibility (such as the TM-score). In this work, we propose to use PLMs as a reward function to generate new sequences. Yet the PLM can be computationally expensive to query due to its large size. To this end, we propose an alternative paradigm where optimization can be performed on scores from a smaller proxy model that is periodically finetuned, jointly while learning the mutation policy. We perform extensive experiments on various sequence lengths to benchmark RL-based approaches, and provide comprehensive evaluations along biological plausibility and diversity of the protein. Our experimental results include favorable evaluations of the proposed sequences, along with high diversity scores, demonstrating that RL is a strong candidate for biological sequence design. Finally, we provide a modular open source implementation can be easily integrated in most RL training loops, with support for replacing the reward model with other PLMs, to spur further research in this domain. The code for all experiments is provided in the supplementary material.
Authors: Yijun Dong, Hoang Phan, Xiang Pan, Qi Lei
Abstract: We revisit data selection in a modern context of finetuning from a fundamental perspective. Extending the classical wisdom of variance minimization in low dimensions to high-dimensional finetuning, our generalization analysis unveils the importance of additionally reducing bias induced by low-rank approximation. Inspired by the variance-bias tradeoff in high dimensions from the theory, we introduce Sketchy Moment Matching (SkMM), a scalable data selection scheme with two stages. (i) First, the bias is controlled using gradient sketching that explores the finetuning parameter space for an informative low-dimensional subspace $\mathcal{S}$; (ii) then the variance is reduced over $\mathcal{S}$ via moment matching between the original and selected datasets. Theoretically, we show that gradient sketching is fast and provably accurate: selecting $n$ samples by reducing variance over $\mathcal{S}$ preserves the fast-rate generalization $O(\dim(\mathcal{S})/n)$, independent of the parameter dimension. Empirically, we concretize the variance-bias balance via synthetic experiments and demonstrate the effectiveness of SkMM for finetuning in real vision tasks.
Authors: Samarth Bhatia (Indian Institute of Technology, Delhi), Yukti Makhija (Indian Institute of Technology, Delhi), Manoj Kumar (Indian Institute of Technology, Delhi), Sandeep Kumar (Indian Institute of Technology, Delhi)
Abstract: Graph clustering is an important unsupervised learning technique for partitioning graphs with attributes and detecting communities. However, current methods struggle to accurately capture true community structures and intra-cluster relations, be computationally efficient, and identify smaller communities. We address these challenges by integrating coarsening and modularity maximization, effectively leveraging both adjacency and node features to enhance clustering accuracy. We propose a loss function incorporating log-determinant, smoothness, and modularity components using a block majorization-minimization technique, resulting in superior clustering outcomes. The method is theoretically consistent under the Degree-Corrected Stochastic Block Model (DC-SBM), ensuring asymptotic error-free performance and complete label recovery. Our provably convergent and time-efficient algorithm seamlessly integrates with graph neural networks (GNNs) and variational graph autoencoders (VGAEs) to learn enhanced node features and deliver exceptional clustering performance. Extensive experiments on benchmark datasets demonstrate its superiority over existing state-of-the-art methods for both attributed and non-attributed graphs.
Authors: Seonho Lee, Amar Phanishayee, Divya Mahajan
Abstract: Deep learning kernels exhibit predictable memory accesses and compute patterns, making GPUs' parallel architecture well-suited for their execution. Software and runtime systems for GPUs are optimized to better utilize the stream multiprocessors, on-chip cache, and off-chip high-bandwidth memory. As deep learning models and GPUs evolve, access to newer GPUs is often limited, raising questions about the performance of new model architectures on existing GPUs, existing models on new GPUs, and new model architectures on new GPUs. To address these questions, we introduce NeuSight, a framework to predict the performance of various deep learning models, for both training and inference, on unseen GPUs without requiring actual execution. The framework leverages both GPU hardware behavior and software library optimizations to estimate end-to-end performance. Previous work uses regression models that capture linear trends or multilayer perceptrons to predict the overall latency of deep learning kernels on GPUs. These approaches suffer from higher error percentages when forecasting performance on unseen models and new GPUs. Instead, NeuSight decomposes the prediction problem into smaller problems, bounding the prediction through fundamental performance laws. NeuSight decomposes a single deep learning kernel prediction into smaller working sets called tiles, which are executed independently on the GPU. Tile-granularity predictions are determined using a machine learning approach and aggregated to estimate end-to-end latency. NeuSight outperforms prior work across various deep learning workloads and the latest GPUs. It reduces the percentage error from 198% and 19.7% to 3.8% in predicting the latency of GPT3 model for training and inference on H100, compared to state-of-the-art prior works, where both GPT3 and H100 were not used to train the framework.
Authors: Mostafa Kotb, Cornelius Weber, Muhammad Burhan Hafez, Stefan Wermter
Abstract: Inspired by the success of the Transformer architecture in natural language processing and computer vision, we investigate the use of Transformers in Reinforcement Learning (RL), specifically in modeling the environment's dynamics using Transformer Dynamics Models (TDMs). We evaluate the capabilities of TDMs for continuous control in real-time planning scenarios with Model Predictive Control (MPC). While Transformers excel in long-horizon prediction, their tokenization mechanism and autoregressive nature lead to costly planning over long horizons, especially as the environment's dimensionality increases. To alleviate this issue, we use a TDM for short-term planning, and learn an autoregressive discrete Q-function using a separate Q-Transformer (QT) model to estimate a long-term return beyond the short-horizon planning. Our proposed method, QT-TDM, integrates the robust predictive capabilities of Transformers as dynamics models with the efficacy of a model-free Q-Transformer to mitigate the computational burden associated with real-time planning. Experiments in diverse state-based continuous control tasks show that QT-TDM is superior in performance and sample efficiency compared to existing Transformer-based RL models while achieving fast and computationally efficient inference.
Authors: Taeyoung Kim, Myungjoo Kang
Abstract: The Rectified Power Unit (RePU) activation functions, unlike the Rectified Linear Unit (ReLU), have the advantage of being a differentiable function when constructing neural networks. However, it can be experimentally observed when deep layers are stacked, neural networks constructed with RePU encounter critical issues. These issues include the values exploding or vanishing and failure of training. And these happen regardless of the hyperparameter initialization. From the perspective of effective theory, we aim to identify the causes of this phenomenon and propose a new activation function that retains the advantages of RePU while overcoming its drawbacks.
Authors: Xiuyu Sun, Xiaohui Zhong, Xiaoze Xu, Yuanqing Huang, Hao Li, J. David Neelin, Deliang Chen, Jie Feng, Wei Han, Libo Wu, Yuan Qi
Abstract: Weather forecasting traditionally relies on numerical weather prediction (NWP) systems that integrates global observational systems, data assimilation (DA), and forecasting models. Despite steady improvements in forecast accuracy over recent decades, further advances are increasingly constrained by high computational costs, the underutilization of vast observational datasets, and the challenges of obtaining finer resolution. These limitations, alongside the uneven distribution of observational networks, result in global disparities in forecast accuracy, leaving some regions vulnerable to extreme weather. Recent advances in machine learning present a promising alternative, providing more efficient and accurate forecasts using the same initial conditions as NWP. However, current machine learning models still depend on the initial conditions generated by NWP systems, which require extensive computational resources and expertise. Here we introduce FuXi Weather, a machine learning weather forecasting system that assimilates data from multiple satellites. Operating on a 6-hourly DA and forecast cycle, FuXi Weather generates reliable and accurate 10-day global weather forecasts at a spatial resolution of $0.25^\circ$. FuXi Weather is the first system to achieve all-grid, all-surface, all-channel, and all-sky DA and forecasting, extending skillful forecast lead times beyond those of the European Centre for Medium-range Weather Forecasts (ECMWF) high-resolution forecasts (HRES) while using significantly fewer observations. FuXi Weather consistently outperforms ECMWF HRES in observation-sparse regions, such as central Africa, demonstrating its potential to improve forecasts where observational infrastructure is limited.
Authors: Paul Christiano, Jacob Hilton, Victor Lecomte, Mark Xu
Abstract: We introduce a formal notion of defendability against backdoors using a game between an attacker and a defender. In this game, the attacker modifies a function to behave differently on a particular input known as the "trigger", while behaving the same almost everywhere else. The defender then attempts to detect the trigger at evaluation time. If the defender succeeds with high enough probability, then the function class is said to be defendable. The key constraint on the attacker that makes defense possible is that the attacker's strategy must work for a randomly-chosen trigger. Our definition is simple and does not explicitly mention learning, yet we demonstrate that it is closely connected to learnability. In the computationally unbounded setting, we use a voting algorithm of Hanneke et al. (2022) to show that defendability is essentially determined by the VC dimension of the function class, in much the same way as PAC learnability. In the computationally bounded setting, we use a similar argument to show that efficient PAC learnability implies efficient defendability, but not conversely. On the other hand, we use indistinguishability obfuscation to show that the class of polynomial size circuits is not efficiently defendable. Finally, we present polynomial size decision trees as a natural example for which defense is strictly easier than learning. Thus, we identify efficient defendability as a notable intermediate concept in between efficient learnability and obfuscation.
Authors: Cheng Zeng, Zulqarnain Khan, Nathan L. Post
Abstract: Inverse materials design has proven successful in accelerating novel material discovery. Many inverse materials design methods use unsupervised learning where a latent space is learned to offer a compact description of materials representations. A latent space learned this way is likely to be entangled, in terms of the target property and other properties of the materials. This makes the inverse design process ambiguous. Here, we present a semi-supervised learning approach based on a disentangled variational autoencoder to learn a probabilistic relationship between features, latent variables and target properties. This approach is data efficient because it combines all labelled and unlabelled data in a coherent manner, and it uses expert-informed prior distributions to improve model robustness even with limited labelled data. It is in essence interpretable, as the learnable target property is disentangled out of the other properties of the materials, and an extra layer of interpretability can be provided by a post-hoc analysis of the classification head of the model. We demonstrate this new approach on an experimental high-entropy alloy dataset with chemical compositions as input and single-phase formation as the single target property. High-entropy alloys were chosen as example materials because of the vast chemical space of their possible combinations of compositions and atomic configurations. While single property is used in this work, the disentangled model can be extended to customize for inverse design of materials with multiple target properties.
Authors: Michael Omori, Prasad Tadepalli
Abstract: Current chess rating systems update ratings incrementally and may not always accurately reflect a player's true strength at all times, especially for rapidly improving players or very rusty players. To overcome this, we explore a method to estimate player ratings directly from game moves and clock times. We compiled a benchmark dataset from Lichess with over one million games, encompassing various time controls and including move sequences and clock times. Our model architecture comprises a CNN to learn positional features, which are then integrated with clock-time data into a Bidirectional LSTM, predicting player ratings after each move. The model achieved an MAE of 182 rating points on the test data. Additionally, we applied our model to the 2024 IEEE Big Data Cup Chess Puzzle Difficulty Competition dataset, predicted puzzle ratings and achieved competitive results. This model is the first to use no hand-crafted features to estimate chess ratings and also the first to output a rating prediction after each move. Our method highlights the potential of using move-based rating estimation for enhancing rating systems and potentially other applications such as cheating detection.
Authors: Alex Lavaee
Abstract: We present Sketch 'n Solve, an open-source Python package that implements efficient randomized numerical linear algebra (RandNLA) techniques for solving large-scale least squares problems. While sketch-and-solve algorithms have demonstrated theoretical promise, their practical adoption has been limited by the lack of robust, user-friendly implementations. Our package addresses this gap by providing an optimized implementation built on NumPy and SciPy, featuring both dense and sparse sketching operators with a clean API. Through extensive benchmarking, we demonstrate that our implementation achieves up to 50x speedup over traditional LSQR while maintaining high accuracy, even for ill-conditioned matrices. The package shows particular promise for applications in machine learning optimization, signal processing, and scientific computing.
Authors: Giorgi Giglemiani, Nora Petrova, Chatrik Singh Mangat, Jett Janiak, Stefan Heimersheim
Abstract: Sparse Auto-Encoders (SAEs) are commonly employed in mechanistic interpretability to decompose the residual stream into monosemantic SAE latents. Recent work demonstrates that perturbing a model's activations at an early layer results in a step-function-like change in the model's final layer activations. Furthermore, the model's sensitivity to this perturbation differs between model-generated (real) activations and random activations. In our study, we assess model sensitivity in order to compare real activations to synthetic activations composed of SAE latents. Our findings indicate that synthetic activations closely resemble real activations when we control for the sparsity and cosine similarity of the constituent SAE latents. This suggests that real activations cannot be explained by a simple "bag of SAE latents" lacking internal structure, and instead suggests that SAE latents possess significant geometric and statistical properties. Notably, we observe that our synthetic activations exhibit less pronounced activation plateaus compared to those typically surrounding real activations.
Authors: Andrei Chernov
Abstract: Inspired by recent advancements in large language models (LLMs) for Natural Language Processing (NLP), there has been a surge in research focused on developing foundational models for time series forecasting. One approach involves training LLM architectures on tokenized time series data using cross-entropy loss. Although this method has demonstrated promising results, cross-entropy loss is primarily designed for classification tasks and does not account for the distance between classes. To address this limitation, we propose using the Wasserstein loss for such architectures. To validate our approach, we fine-tuned a foundational time series model on $22$ zero-shot datasets, comparing the performance of cross-entropy loss with that of Wasserstein loss. Our results demonstrate that replacing cross-entropy loss with Wasserstein loss significantly improves point estimation.
Authors: Jett Janiak, Jacek Karwowski, Chatrik Singh Mangat, Giorgi Giglemiani, Nora Petrova, Stefan Heimersheim
Abstract: We identify stable regions in the residual stream of Transformers, where the model's output remains insensitive to small activation changes, but exhibits high sensitivity at region boundaries. These regions emerge during training and become more defined as training progresses or model size increases. The regions appear to be much larger than previously studied polytopes. Our analysis suggests that these stable regions align with semantic distinctions, where similar prompts cluster within regions, and activations from the same region lead to similar next token predictions. This work provides a promising research direction for understanding the complexity of neural networks, shedding light on training dynamics, and advancing interpretability.
Authors: Lexiang Hu, Yisen Wang, Zhouchen Lin
Abstract: Kolmogorov-Arnold Networks (KANs) have seen great success in scientific domains thanks to spline activation functions, becoming an alternative to Multi-Layer Perceptrons (MLPs). However, spline functions may not respect symmetry in tasks, which is crucial prior knowledge in machine learning. Previously, equivariant networks embed symmetry into their architectures, achieving better performance in specific applications. Among these, Equivariant Multi-Layer Perceptrons (EMLP) introduce arbitrary matrix group equivariance into MLPs, providing a general framework for constructing equivariant networks layer by layer. In this paper, we propose Equivariant Kolmogorov-Arnold Networks (EKAN), a method for incorporating matrix group equivariance into KANs, aiming to broaden their applicability to more fields. First, we construct gated spline basis functions, which form the EKAN layer together with equivariant linear weights. We then define a lift layer to align the input space of EKAN with the feature space of the dataset, thereby building the entire EKAN architecture. Compared with baseline models, EKAN achieves higher accuracy with smaller datasets or fewer parameters on symmetry-related tasks, such as particle scattering and the three-body problem, often reducing test MSE by several orders of magnitude. Even in non-symbolic formula scenarios, such as top quark tagging with three jet constituents, EKAN achieves comparable results with EMLP using only $26\%$ of the parameters, while KANs do not outperform MLPs as expected.
Authors: Daniel Balcells, Benjamin Lerner, Michael Oesterle, Ediz Ucar, Stefan Heimersheim
Abstract: Sparse Autoencoders for transformer-based language models are typically defined independently per layer. In this work we analyze statistical relationships between features in adjacent layers to understand how features evolve through a forward pass. We provide a graph visualization interface for features and their most similar next-layer neighbors (https://stefanhex.com/spar-2024/feature-browser/), and build communities of related features across layers. We find that a considerable amount of features are passed through from a previous layer, some features can be expressed as quasi-boolean combinations of previous features, and some features become more specialized in later layers.
Authors: Nandan Kumar Jha, Brandon Reagen
Abstract: LayerNorm is a critical component in modern large language models (LLMs) for stabilizing training and ensuring smooth optimization. However, it introduces significant challenges in mechanistic interpretability, outlier feature suppression, faithful signal propagation, and computational and communication complexity of private inference. This work explores desirable activation functions in normalization-free decoder-only LLMs. Contrary to the conventional preference for the GELU in transformer-based models, our empirical findings demonstrate an {\em opposite trend} -- ReLU significantly outperforms GELU in LayerNorm-free models, leading to an {\bf 8.2\%} perplexity improvement. We discover a key issue with GELU, where early layers experience entropic overload, leading to the under-utilization of the representational capacity of attention heads. This highlights that smoother activations like GELU are {\em ill-suited} for LayerNorm-free architectures, whereas ReLU's geometrical properties -- specialization in input space and intra-class selectivity -- lead to improved learning dynamics and better information retention in the absence of LayerNorm. This study offers key insights for optimizing transformer architectures where LayerNorm introduces significant challenges. The code and implementation are available at https://github.com/Nandan91/relu-revival-normfree
Authors: Sudhakar Sah, Ravish Kumar, Darshan C. Ganji, Ehsan Saboori
Abstract: Activation functions introduce non-linearity into Neural Networks, enabling them to learn complex patterns. Different activation functions vary in speed and accuracy, ranging from faster but less accurate options like ReLU to slower but more accurate functions like SiLU or SELU. Typically, same activation function is used throughout an entire model architecture. In this paper, we conduct a comprehensive study on the effects of using mixed activation functions in YOLO-based models, evaluating their impact on latency, memory usage, and accuracy across CPU, NPU, and GPU edge devices. We also propose a novel approach that leverages Neural Architecture Search (NAS) to design YOLO models with optimized mixed activation functions.The best model generated through this method demonstrates a slight improvement in mean Average Precision (mAP) compared to baseline model (SiLU), while it is 22.28% faster and consumes 64.15% less memory on the reference NPU device.
Authors: Daniel J. Lee, Stefan Heimersheim
Abstract: Sensitive directions experiments attempt to understand the computational features of Language Models (LMs) by measuring how much the next token prediction probabilities change by perturbing activations along specific directions. We extend the sensitive directions work by introducing an improved baseline for perturbation directions. We demonstrate that KL divergence for Sparse Autoencoder (SAE) reconstruction errors are no longer pathologically high compared to the improved baseline. We also show that feature directions uncovered by SAEs have varying impacts on model outputs depending on the SAE's sparsity, with lower L0 SAE feature directions exerting a greater influence. Additionally, we find that end-to-end SAE features do not exhibit stronger effects on model outputs compared to traditional SAEs.
Authors: Vansh Bansal, Saptarshi Roy, Purnamrita Sarkar, Alessandro Rinaldo
Abstract: Diffusion models have emerged as a powerful tool for image generation and denoising. Typically, generative models learn a trajectory between the starting noise distribution and the target data distribution. Recently Liu et al. (2023b) designed a novel alternative generative model Rectified Flow (RF), which aims to learn straight flow trajectories from noise to data using a sequence of convex optimization problems with close ties to optimal transport. If the trajectory is curved, one must use many Euler discretization steps or novel strategies, such as exponential integrators, to achieve a satisfactory generation quality. In contrast, RF has been shown to theoretically straighten the trajectory through successive rectifications, reducing the number of function evaluations (NFEs) while sampling. It has also been shown empirically that RF may improve the straightness in two rectifications if one can solve the underlying optimization problem within a sufficiently small error. In this paper, we make two key theoretical contributions: 1) we provide the first theoretical analysis of the Wasserstein distance between the sampling distribution of RF and the target distribution. Our error rate is characterized by the number of discretization steps and a new formulation of straightness stronger than that in the original work. 2) under a mild regularity assumption, we show that for a rectified flow from a Gaussian to any general target distribution with finite first moment (e.g. mixture of Gaussians), two rectifications are sufficient to achieve a straight flow, which is in line with the previous empirical findings. Additionally, we also present empirical results on both simulated and real datasets to validate our theoretical findings.
Authors: Zhenqian Shen, Mingyang Zhou, Yongqi Zhang, Quanming Yao
Abstract: Predicting drug-drug interaction (DDI) plays an important role in pharmacology and healthcare for identifying potential adverse interactions and beneficial combination therapies between drug pairs. Recently, a flurry of graph learning methods have been introduced to predict drug-drug interactions. However, evaluating existing methods has several limitations, such as the absence of a unified comparison framework for DDI prediction methods, lack of assessments in meaningful real-world scenarios, and insufficient exploration of side information usage. In order to address these unresolved limitations in the literature, we propose a DDI prediction benchmark on graph learning. We first conduct unified evaluation comparison among existing methods. To meet realistic scenarios, we further evaluate the performance of different methods in settings with new drugs involved and examine the performance across different DDI types. Component analysis is conducted on the biomedical network to better utilize side information. Through this work, we hope to provide more insights for the problem of DDI prediction. Our implementation and data is open-sourced at https://anonymous.4open.science/r/DDI-Benchmark-ACD9/.
URLs: https://anonymous.4open.science/r/DDI-Benchmark-ACD9/.
Authors: Marcel Binz, Elif Akata, Matthias Bethge, Franziska Br\"andle, Fred Callaway, Julian Coda-Forno, Peter Dayan, Can Demircan, Maria K. Eckstein, No\'emi \'Eltet\H{o}, Thomas L. Griffiths, Susanne Haridi, Akshay K. Jagadish, Li Ji-An, Alexander Kipnis, Sreejan Kumar, Tobias Ludwig, Marvin Mathony, Marcelo Mattar, Alireza Modirshanechi, Surabhi S. Nath, Joshua C. Peterson, Milena Rmus, Evan M. Russek, Tankred Saanum, Natalia Scharfenberg, Johannes A. Schubert, Luca M. Schulze Buschoff, Nishad Singhi, Xin Sui, Mirko Thalmann, Fabian Theis, Vuong Truong, Vishaal Udandarao, Konstantinos Voudouris, Robert Wilson, Kristin Witte, Shuchen Wu, Dirk Wulff, Huadong Xiong, Eric Schulz
Abstract: Establishing a unified theory of cognition has been a major goal of psychology. While there have been previous attempts to instantiate such theories by building computational models, we currently do not have one model that captures the human mind in its entirety. Here we introduce Centaur, a computational model that can predict and simulate human behavior in any experiment expressible in natural language. We derived Centaur by finetuning a state-of-the-art language model on a novel, large-scale data set called Psych-101. Psych-101 reaches an unprecedented scale, covering trial-by-trial data from over 60,000 participants performing over 10,000,000 choices in 160 experiments. Centaur not only captures the behavior of held-out participants better than existing cognitive models, but also generalizes to new cover stories, structural task modifications, and entirely new domains. Furthermore, we find that the model's internal representations become more aligned with human neural activity after finetuning. Taken together, Centaur is the first real candidate for a unified model of human cognition. We anticipate that it will have a disruptive impact on the cognitive sciences, challenging the existing paradigm for developing computational models.
Authors: Bong Gyun Kang, Dongjun Lee, HyunGi Kim, DoHyun Chung, Sungroh Yoon
Abstract: Sequence modeling faces challenges in capturing long-range dependencies across diverse tasks. Recent linear and transformer-based forecasters have shown superior performance in time series forecasting. However, they are constrained by their inherent inability to effectively address long-range dependencies in time series data, primarily due to using fixed-size inputs for prediction. Furthermore, they typically sacrifice essential temporal correlation among consecutive training samples by shuffling them into mini-batches. To overcome these limitations, we introduce a fast and effective Spectral Attention mechanism, which preserves temporal correlations among samples and facilitates the handling of long-range information while maintaining the base model structure. Spectral Attention preserves long-period trends through a low-pass filter and facilitates gradient to flow between samples. Spectral Attention can be seamlessly integrated into most sequence models, allowing models with fixed-sized look-back windows to capture long-range dependencies over thousands of steps. Through extensive experiments on 11 real-world time series datasets using 7 recent forecasting models, we consistently demonstrate the efficacy of our Spectral Attention mechanism, achieving state-of-the-art results.
Authors: Carl Allen
Abstract: Disentanglement, or identifying salient statistically independent factors of the data, is of interest in many areas of machine learning and statistics, with relevance to synthetic data generation with controlled properties, robust classification of features, parsimonious encoding, and a greater understanding of the generative process underlying the data. Disentanglement arises in several generative paradigms, including Variational Autoencoders (VAEs), Generative Adversarial Networks and diffusion models. Particular progress has recently been made in understanding disentanglement in VAEs, where the choice of diagonal posterior covariance matrices is suggested to promote mutual orthogonality between columns of the decoder's Jacobian. We continue this thread to show how this linear independence translates to statistical independence, completing the chain in understanding how the VAE's objective identifies independent components of, or disentangles, the data.
Authors: Xiang Li, Yixiang Dai, Qing Qu
Abstract: In this work, we study the generalizability of diffusion models by looking into the hidden properties of the learned score functions, which are essentially a series of deep denoisers trained on various noise levels. We observe that as diffusion models transition from memorization to generalization, their corresponding nonlinear diffusion denoisers exhibit increasing linearity. This discovery leads us to investigate the linear counterparts of the nonlinear diffusion models, which are a series of linear models trained to match the function mappings of the nonlinear diffusion denoisers. Surprisingly, these linear denoisers are approximately the optimal denoisers for a multivariate Gaussian distribution characterized by the empirical mean and covariance of the training dataset. This finding implies that diffusion models have the inductive bias towards capturing and utilizing the Gaussian structure (covariance information) of the training dataset for data generation. We empirically demonstrate that this inductive bias is a unique property of diffusion models in the generalization regime, which becomes increasingly evident when the model's capacity is relatively small compared to the training dataset size. In the case that the model is highly overparameterized, this inductive bias emerges during the initial training phases before the model fully memorizes its training data. Our study provides crucial insights into understanding the notable strong generalization phenomenon recently observed in real-world diffusion models.
Authors: Hongjun An, Yiliang Song, Xuelong Li
Abstract: We discovered the underlying physics in Next-token Prediction (NTP). We identified the law of information conservation within NTP and proposed the First Law of Information Capacity (IC-1), demonstrating that the essence of intelligence emergence in auto-regressive models is fundamentally a process of information transfer. We also introduced Landauer's Principle into NTP, formulating the Second Law of Information Capacity (IC-2), which establishes the relationship between auto-regressive model training and energy consumption. Additionally, we presented several corollaries, which hold practical significance for production practices. Finally, we demonstrate the consistency between the Law of Information Capacity and the Scaling Law for Neural Language Models, the Knowledge Capacity Scaling Laws, and the Scaling Laws for Precision.
Authors: Dan Hendrycks
Abstract: Artificial Intelligence is rapidly embedding itself within militaries, economies, and societies, reshaping their very foundations. Given the depth and breadth of its consequences, it has never been more pressing to understand how to ensure that AI systems are safe, ethical, and have a positive societal impact. This book aims to provide a comprehensive approach to understanding AI risk. Our primary goals include consolidating fragmented knowledge on AI risk, increasing the precision of core ideas, and reducing barriers to entry by making content simpler and more comprehensible. The book has been designed to be accessible to readers from diverse backgrounds. You do not need to have studied AI, philosophy, or other such topics. The content is skimmable and somewhat modular, so that you can choose which chapters to read. We introduce mathematical formulas in a few places to specify claims more precisely, but readers should be able to understand the main points without these.
Authors: Yuqing Zhou, Ziwei Zhu
Abstract: In text classification tasks, models often rely on spurious correlations for predictions, incorrectly associating irrelevant features with the target labels. This issue limits the robustness and generalization of models, especially when faced with out-of-distribution data where such spurious correlations no longer hold. To address this challenge, we propose the Causally Calibrated Robust Classifier (CCR), which aims to reduce models' reliance on spurious correlations and improve model robustness. Our approach integrates a causal feature selection method based on counterfactual reasoning, along with an unbiased inverse propensity weighting (IPW) loss function. By focusing on selecting causal features, we ensure that the model relies less on spurious features during prediction. We theoretically justify our approach and empirically show that CCR achieves state-of-the-art performance among methods without group labels, and in some cases, it can compete with the models that utilize group labels.
Authors: Yuchen He, Chuyun Shen, Xiangfeng Wang, Bo Jin
Abstract: Federated continual learning (FCL) aims to learn from sequential data stream in the decentralized federated learning setting, while simultaneously mitigating the catastrophic forgetting issue in classical continual learning. Existing FCL methods usually employ typical rehearsal mechanisms, which could result in privacy violations or additional onerous storage and computational burdens. In this work, an efficient and non-IID robust federated continual learning framework, called Federated Prototype-Augmented Prompt Learning (FPPL), is proposed. The FPPL can collaboratively learn lightweight prompts augmented by prototypes without rehearsal. On the client side, a fusion function is employed to fully leverage the knowledge contained in task-specific prompts for alleviating catastrophic forgetting. Additionally, global prototypes aggregated from the server are used to obtain unified representation through contrastive learning, mitigating the impact of non-IID-derived data heterogeneity. On the server side, locally uploaded prototypes are utilized to perform debiasing on the classifier, further alleviating the performance degradation caused by both non-IID and catastrophic forgetting. Empirical evaluations demonstrate the effectiveness of FPPL, achieving notable performance with an efficient design while remaining robust to diverse non-IID degrees. Code is available at: https://github.com/ycheoo/FPPL.
Authors: Wen-Ding Li, Keya Hu, Carter Larsen, Yuqing Wu, Simon Alford, Caleb Woo, Spencer M. Dunn, Hao Tang, Michelangelo Naim, Dat Nguyen, Wei-Long Zheng, Zenna Tavares, Yewen Pu, Kevin Ellis
Abstract: When learning an input-output mapping from very few examples, is it better to first infer a latent function that explains the examples, or is it better to directly predict new test outputs, e.g. using a neural network? We study this question on ARC, a highly diverse dataset of abstract reasoning tasks. We train neural models for induction (inferring latent functions) and transduction (directly predicting the test output for a given test input). Our models are trained on synthetic data generated by prompting LLMs to produce Python code specifying a function to be inferred, plus a stochastic subroutine for generating inputs to that function. We find inductive and transductive models solve very different problems, despite training on the same problems, and despite sharing the same neural architecture.
Authors: Johannes Himmelreich, Arbie Hsu, Kristian Lum, Ellen Veomett
Abstract: A yet unmet challenge in algorithmic fairness is the problem of intersectionality, that is, achieving fairness across the intersection of multiple groups -- and verifying that such fairness has been attained. Because intersectional groups tend to be small, verifying whether a model is fair raises statistical as well as moral-methodological challenges. This paper (1) elucidates the problem of intersectionality in algorithmic fairness, (2) develops desiderata to clarify the challenges underlying the problem and guide the search for potential solutions, (3) illustrates the desiderata and potential solutions by sketching a proposal using simple hypothesis testing, and (4) evaluates, partly empirically, this proposal against the proposed desiderata.
Authors: Zhuorui Cui, Shengze Dong, Ding Liu
Abstract: As a powerful tool for characterizing cellular subpopulations and cellular heterogeneity, single cell RNA sequencing (scRNA-seq) technology offers advantages of high throughput and multidimensional analysis. However, the process of data acquisition is often constrained by high cost and limited sample availability. To overcome these limitations, we propose a hybrid model based on Diffusion model and White-Box transformer that aims to generate synthetic and biologically plausible scRNA-seq data. Diffusion model progressively introduce noise into the data and then recover the original data through a denoising process, a forward and reverse process that is particularly suitable for generating complex data distributions. White-Box transformer is a deep learning architecture that emphasizes mathematical interpretability. By minimizing the encoding rate of the data and maximizing the sparsity of the representation, it not only reduces the computational burden, but also provides clear insight into underlying structure. Our White-Box Diffusion Transformer combines the generative capabilities of Diffusion model with the mathematical interpretability of White-Box transformer. Through experiments using six different single-cell RNA-Seq datasets, we visualize both generated and real data using t-SNE dimensionality reduction technique, as well as quantify similarity between generated and real data using various metrics to demonstrate comparable performance of White-Box Diffusion Transformer and Diffusion Transformer in generating scRNA-seq data alongside significant improvements in training efficiency and resource utilization. Our code is available at https://github.com/lingximamo/White-Box-Diffusion-Transformer
URLs: https://github.com/lingximamo/White-Box-Diffusion-Transformer
Authors: Ra\'ul de la Fuente, Luciano Radrigan, Anibal S Morales
Abstract: Mining machinery operating in variable environments faces high wear and unpredictable stress, challenging Predictive Maintenance (PdM). This paper introduces the Edge Sensor Network for Predictive Maintenance (ESN-PdM), a hierarchical inference framework across edge devices, gateways, and cloud services for real-time condition monitoring. The system dynamically adjusts inference locations--on-device, on-gateway, or on-cloud--based on trade-offs among accuracy, latency, and battery life, leveraging Tiny Machine Learning (TinyML) techniques for model optimization on resource-constrained devices. Performance evaluations showed that on-sensor and on-gateway inference modes achieved over 90\% classification accuracy, while cloud-based inference reached 99\%. On-sensor inference reduced power consumption by approximately 44\%, enabling up to 104 hours of operation. Latency was lowest for on-device inference (3.33 ms), increasing when offloading to the gateway (146.67 ms) or cloud (641.71 ms). The ESN-PdM framework provides a scalable, adaptive solution for reliable anomaly detection and PdM, crucial for maintaining machinery uptime in remote environments. By balancing accuracy, latency, and energy consumption, this approach advances PdM frameworks for industrial applications.
Authors: Katie Kang, Amrith Setlur, Dibya Ghosh, Jacob Steinhardt, Claire Tomlin, Sergey Levine, Aviral Kumar
Abstract: Despite the remarkable capabilities of modern large language models (LLMs), the mechanisms behind their problem-solving abilities remain elusive. In this work, we aim to better understand how the learning dynamics of LLM finetuning shapes downstream generalization. Our analysis focuses on reasoning tasks, whose problem structure allows us to distinguish between memorization (the exact replication of reasoning steps from the training data) and performance (the correctness of the final solution). We find that a model's generalization behavior can be effectively characterized by a training metric we call pre-memorization train accuracy: the accuracy of model samples on training queries before they begin to copy the exact reasoning steps from the training set. On the dataset level, this metric is able to reliably predict test accuracy, achieving $R^2$ of around or exceeding 0.9 across various models (Llama3 8, Gemma2 9B), datasets (GSM8k, MATH), and training configurations. On a per-example level, this metric is also indicative of whether individual model predictions are robust to perturbations in the training query. By connecting a model's learning behavior to its generalization, pre-memorization train accuracy can guide targeted improvements to training strategies. We focus on data curation as an example, and show that prioritizing examples with low pre-memorization accuracy leads to 1.5-2x improvements in data efficiency compared to i.i.d. data scaling, and outperforms other standard data curation techniques.
Authors: Abhinav Java, Simra Shahid, Chirag Agarwal
Abstract: The widespread practice of indiscriminate data scraping to fine-tune language models (LMs) raises significant legal and ethical concerns, particularly regarding compliance with data protection laws such as the General Data Protection Regulation (GDPR). This practice often results in the unauthorized use of personal information, prompting growing debate within the academic and regulatory communities. Recent works have introduced the concept of generating unlearnable datasets (by adding imperceptible noise to the clean data), such that the underlying model achieves lower loss during training but fails to generalize to the unseen test setting. Though somewhat effective, these approaches are predominantly designed for images and are limited by several practical constraints like requiring knowledge of the target model. To this end, we introduce RegText, a framework that injects imperceptible spurious correlations into natural language datasets, effectively rendering them unlearnable without affecting semantic content. We demonstrate RegText's utility through rigorous empirical analysis of small and large LMs. Notably, RegText can restrict newer models like GPT-4o and Llama from learning on our generated data, resulting in a drop in their test accuracy compared to their zero-shot performance and paving the way for generating unlearnable text to protect public data.
Authors: Han-Guang Wang, Hui-Rang Hou, Li-Cheng Jin, Chen-Yang Xu, Zhong-Yi Zhang, Qing-Hao Meng
Abstract: Background and Objective: Depression is a severe mental disorder, and accurate diagnosis is pivotal to the cure and rehabilitation of people with depression. However, the current questionnaire-based diagnostic methods could bring subjective biases and may be denied by subjects. In search of a more objective means of diagnosis, researchers have begun to experiment with deep learning-based methods for identifying depressive disorders in recent years. Methods: In this study, a novel Spatiotemporal-fused network with Automated multi-scale Depth-wise and TIME-interval-related common feature extractor (SAD-TIME) is proposed. SAD-TIME incorporates an automated nodes' common features extractor (CFE), a spatial sector (SpS), a modified temporal sector (TeS), and a domain adversarial learner (DAL). The CFE includes a multi-scale depth-wise 1D-convolutional neural network and a time-interval embedding generator, where the unique information of each channel is preserved. The SpS fuses the functional connectivity with the distance-based connectivity containing spatial position of EEG electrodes. A multi-head-attention graph convolutional network is also applied in the SpS to fuse the features from different EEG channels. The TeS is based on long short-term memory and graph transformer networks, where the temporal information of different time-windows is fused. Moreover, the DAL is used after the SpS to obtain the domain-invariant feature. Results: Experimental results under tenfold cross-validation show that the proposed SAD-TIME method achieves 92.00% and 94.00% depression classification accuracies on two datasets, respectively, in cross-subject mode. Conclusion: SAD-TIME is a robust depression detection model, where the automatedly-generated features, the SpS and the TeS assist the classification performance with the fusion of the innate spatiotemporal information in the EEG signals.
Authors: Libo Wang
Abstract: In order to address the chain of thought in the large language model inference cost surge, this research proposes to use a sparse attention mechanism that only focuses on a few relevant tokens. The researcher constructed a new attention mechanism and used GiantRabbit trained with custom GPTs as an experimental tool. The experiment tested and compared the reasoning time, correctness score and chain of thought length of this model and o1 Preview in solving the linear algebra test questions of MIT OpenCourseWare. The results show that GiantRabbit's reasoning time and chain of thought length are significantly lower than o1 Preview, confirming the feasibility of the sparse attention mechanism in reducing chain of thought reasoning. Detailed architectural details and experimental process have been uploaded to Github, the link is:https://github.com/brucewang123456789/GeniusTrail.git.
URLs: https://github.com/brucewang123456789/GeniusTrail.git.
Authors: Spencer Giddens, Fang Liu
Abstract: As data-driven and AI-based decision making gains widespread adoption in most disciplines, it is crucial that both data privacy and decision fairness are appropriately addressed. While differential privacy (DP) provides a robust framework for guaranteeing privacy and several widely accepted methods have been proposed for improving fairness, the vast majority of existing literature treats the two concerns independently. For methods that do consider privacy and fairness simultaneously, they often only apply to a specific machine learning task, limiting their generalizability. In response, we introduce SAFES, a Sequential PrivAcy and Fairness Enhancing data Synthesis procedure that sequentially combines DP data synthesis with a fairness-aware data transformation. SAFES allows full control over the privacy-fairness-utility trade-off via tunable privacy and fairness parameters. We illustrate SAFES by combining AIM, a graphical model-based DP data synthesizer, with a popular fairness-aware data pre-processing transformation. Empirical evaluations on the Adult and COMPAS datasets demonstrate that for reasonable privacy loss, SAFES-generated synthetic data achieve significantly improved fairness metrics with relatively low utility loss.
Authors: Zheng Liu, Yuan Jiang, Yumeng Li, Pingfeng Wang
Abstract: With the popularity of electric vehicles, the demand for lithium-ion batteries is increasing. Temperature significantly influences the performance and safety of batteries. Battery thermal management systems can effectively control the temperature of batteries; therefore, the performance and safety can be ensured. However, the development process of battery thermal management systems is time-consuming and costly due to the extensive training dataset needed by data-driven models requiring enormous computational costs for finite element analysis. Therefore, a new approach to constructing surrogate models is needed in the era of AI. Physics-informed machine learning enforces the physical laws in surrogate models, making it the perfect candidate for estimating battery pack temperature distribution. In this study, we first developed a 21700 battery pack indirect liquid cooling system with cold plates on the top and bottom with thermal paste surrounding the battery cells. Then, the simplified finite element model was built based on experiment results. Due to the high coolant flow rate, the cold plates can be considered as constant temperature boundaries, while battery cells are the heat sources. The physics-informed convolutional neural network served as a surrogate model to estimate the temperature distribution of the battery pack. The loss function was constructed considering the heat conduction equation based on the finite difference method. The physics-informed loss function helped the convergence of the training process with less data. As a result, the physics-informed convolutional neural network showed more than 15 percents improvement in accuracy compared to the data-driven method with the same training data.
Authors: Linda Chamakh, Zoltan Szabo
Abstract: Kernel techniques are among the most popular and flexible approaches in data science allowing to represent probability measures without loss of information under mild conditions. The resulting mapping called mean embedding gives rise to a divergence measure referred to as maximum mean discrepancy (MMD) with existing quadratic-time estimators (w.r.t. the sample size) and known convergence properties for bounded kernels. In this paper we focus on the problem of MMD estimation when the mean embedding of one of the underlying distributions is available analytically. Particularly, we consider distributions on the real line (motivated by financial applications) and prove tighter concentration for the proposed estimator under this semi-explicit setting; we also extend the result to the case of unbounded (exponential) kernel with minimax-optimal lower bounds. We demonstrate the efficiency of our approach beyond synthetic example in three real-world examples relying on one-dimensional random variables: index replication and calibration on loss-given-default ratios and on S&P 500 data.
Authors: Taehyun Hwang, Min-hwan Oh
Abstract: We study model-based reinforcement learning (RL) for episodic Markov decision processes (MDP) whose transition probability is parametrized by an unknown transition core with features of state and action. Despite much recent progress in analyzing algorithms in the linear MDP setting, the understanding of more general transition models is very restrictive. In this paper, we establish a provably efficient RL algorithm for the MDP whose state transition is given by a multinomial logistic model. To balance the exploration-exploitation trade-off, we propose an upper confidence bound-based algorithm. We show that our proposed algorithm achieves $\tilde{O}(d \sqrt{H^3 T})$ regret bound where $d$ is the dimension of the transition core, $H$ is the horizon, and $T$ is the total number of steps. To the best of our knowledge, this is the first model-based RL algorithm with multinomial logistic function approximation with provable guarantees. We also comprehensively evaluate our proposed algorithm numerically and show that it consistently outperforms the existing methods, hence achieving both provable efficiency and practical superior performance.
Authors: Jun Qi, Chao-Han Huck Yang, Pin-Yu Chen, Min-Hsiu Hsieh
Abstract: Variational quantum circuits (VQCs) hold promise for quantum machine learning on noisy intermediate-scale quantum (NISQ) devices. While tensor-train networks (TTNs) can enhance VQC representation and generalization, the resulting hybrid model, TTN-VQC, faces optimization challenges due to the Polyak-Lojasiewicz (PL) condition. To mitigate this challenge, we introduce Pre+TTN-VQC, a pre-trained TTN model combined with a VQC. Our theoretical analysis, grounded in two-stage empirical risk minimization, provides an upper bound on the transfer learning risk. It demonstrates the approach's advantages in overcoming the optimization challenge while maintaining TTN-VQC's generalization capability. We validate our findings through experiments on quantum dot and handwritten digit classification using simulated and actual NISQ environments.
Authors: Christoph Leiter, Piyawat Lertvittayakumjorn, Marina Fomicheva, Wei Zhao, Yang Gao, Steffen Eger
Abstract: Unlike classical lexical overlap metrics such as BLEU, most current evaluation metrics for machine translation (for example, COMET or BERTScore) are based on black-box large language models. They often achieve strong correlations with human judgments, but recent research indicates that the lower-quality classical metrics remain dominant, one of the potential reasons being that their decision processes are more transparent. To foster more widespread acceptance of novel high-quality metrics, explainability thus becomes crucial. In this concept paper, we identify key properties as well as key goals of explainable machine translation metrics and provide a comprehensive synthesis of recent techniques, relating them to our established goals and properties. In this context, we also discuss the latest state-of-the-art approaches to explainable metrics based on generative models such as ChatGPT and GPT4. Finally, we contribute a vision of next-generation approaches, including natural language explanations. We hope that our work can help catalyze and guide future research on explainable evaluation metrics and, mediately, also contribute to better and more transparent machine translation systems.
Authors: Tariq Adnan, Md Saiful Islam, Wasifur Rahman, Sangwu Lee, Sutapa Dey Tithi, Kazi Noshin, Imran Sarker, M Saifur Rahman, Ehsan Hoque
Abstract: We present an efficient and accessible PD screening method by leveraging AI-driven models enabled by the largest video dataset of facial expressions from 1,059 unique participants. This dataset includes 256 individuals with PD, 165 clinically diagnosed, and 91 self-reported. Participants used webcams to record themselves mimicking three facial expressions (smile, disgust, and surprise) from diverse sources encompassing their homes across multiple countries, a US clinic, and a PD wellness center in the US. Facial landmarks are automatically tracked from the recordings to extract features related to hypomimia, a prominent PD symptom characterized by reduced facial expressions. Machine learning algorithms are trained on these features to distinguish between individuals with and without PD. The model was tested for generalizability on external (unseen during training) test videos collected from a US clinic and Bangladesh. An ensemble of machine learning models trained on smile videos achieved an accuracy of 87.9+-0.1% (95% Confidence Interval) with an AUROC of 89.3+-0.3% as evaluated on held-out data (using k-fold cross-validation). In external test settings, the ensemble model achieved 79.8+-0.6% accuracy with 81.9+-0.3% AUROC on the clinical test set and 84.9+-0.4% accuracy with 81.2+-0.6% AUROC on participants from Bangladesh. In every setting, the model was free from detectable bias across sex and ethnic subgroups, except in the cohorts from Bangladesh, where the model performed significantly better for female participants than males. Smiling videos can effectively differentiate between individuals with and without PD, offering a potentially easy, accessible, and cost-efficient way to screen for PD, especially when a clinical diagnosis is difficult to access.
Authors: Xianhua Peng, Chenyin Gong, Xue Dong He
Abstract: We propose the first discrete-time infinite-horizon dynamic formulation of the financial index tracking problem under both return-based tracking error and value-based tracking error. The formulation overcomes the limitations of existing models by incorporating the intertemporal dynamics of market information variables not limited to prices, allowing exact calculation of transaction costs, accounting for the tradeoff between overall tracking error and transaction costs, allowing effective use of data in a long time period, etc. The formulation also allows novel decision variables of cash injection or withdraw. We propose to solve the portfolio rebalancing equation using a Banach fixed point iteration, which allows to accurately calculate the transaction costs specified as nonlinear functions of trading volumes in practice. We propose an extension of deep reinforcement learning (RL) method to solve the dynamic formulation. Our RL method resolves the issue of data limitation resulting from the availability of a single sample path of financial data by a novel training scheme. A comprehensive empirical study based on a 17-year-long testing set demonstrates that the proposed method outperforms a benchmark method in terms of tracking accuracy and has the potential for earning extra profit through cash withdraw strategy.
Authors: Mohammad Sadegh Salehi, Subhadip Mukherjee, Lindon Roberts, Matthias J. Ehrhardt
Abstract: Various tasks in data science are modeled utilizing the variational regularization approach, where manually selecting regularization parameters presents a challenge. The difficulty gets exacerbated when employing regularizers involving a large number of hyperparameters. To overcome this challenge, bilevel learning can be employed to learn such parameters from data. However, neither exact function values nor exact gradients with respect to the hyperparameters are attainable, necessitating methods that only rely on inexact evaluation of such quantities. State-of-the-art inexact gradient-based methods a priori select a sequence of the required accuracies and cannot identify an appropriate step size since the Lipschitz constant of the hypergradient is unknown. In this work, we propose an algorithm with backtracking line search that only relies on inexact function evaluations and hypergradients and show convergence to a stationary point. Furthermore, the proposed algorithm determines the required accuracy dynamically rather than manually selected before running it. Our numerical experiments demonstrate the efficiency and feasibility of our approach for hyperparameter estimation on a range of relevant problems in imaging and data science such as total variation and field of experts denoising and multinomial logistic regression. Particularly, the results show that the algorithm is robust to its own hyperparameters such as the initial accuracies and step size.
Authors: Wenzhuo Zhou, Annie Qu, Keiland W. Cooper, Norbert Fortin, Babak Shahbaba
Abstract: Graph Neural Networks (GNNs) have achieved promising performance in a variety of graph-focused tasks. Despite their success, however, existing GNNs suffer from two significant limitations: a lack of interpretability in their results due to their black-box nature, and an inability to learn representations of varying orders. To tackle these issues, we propose a novel Model-agnostic Graph Neural Network (MaGNet) framework, which is able to effectively integrate information of various orders, extract knowledge from high-order neighbors, and provide meaningful and interpretable results by identifying influential compact graph structures. In particular, MaGNet consists of two components: an estimation model for the latent representation of complex relationships under graph topology, and an interpretation model that identifies influential nodes, edges, and node features. Theoretically, we establish the generalization error bound for MaGNet via empirical Rademacher complexity, and demonstrate its power to represent layer-wise neighborhood mixing. We conduct comprehensive numerical studies using simulated data to demonstrate the superior performance of MaGNet in comparison to several state-of-the-art alternatives. Furthermore, we apply MaGNet to a real-world case study aimed at extracting task-critical information from brain activity data, thereby highlighting its effectiveness in advancing scientific research.
Authors: Chuyue Sun, Ying Sheng, Oded Padon, Clark Barrett
Abstract: The use of large language models for code generation is a rapidly growing trend in software development. However, without effective methods for ensuring the correctness of generated code, this trend could lead to undesirable outcomes. In this paper, we introduce a new approach for addressing this challenge: the Clover paradigm, short for Closed-Loop Verifiable Code Generation, which uses consistency checking to provide a strong filter for incorrect code. Clover performs consistency checks among code, docstrings, and formal annotations. The checker is implemented using a novel integration of formal verification tools and large language models. We provide a theoretical analysis to support our thesis that Clover should be effective at consistency checking. We also empirically investigate its performance on a hand-designed dataset (CloverBench) featuring annotated Dafny programs at a textbook level of difficulty. Experimental results show that for this dataset: (i) LLMs are reasonably successful at automatically generating formal specifications; and (ii) our consistency checker achieves a promising acceptance rate (up to 87%) for correct instances while maintaining zero tolerance for adversarial incorrect ones (no false positives). Clover also discovered 6 incorrect programs in the existing human-written dataset MBPP-DFY-50.
Authors: Kevin Zhang, Sakshum Kulshrestha, Christopher Metzler
Abstract: Despite recent advances, developing general-purpose universal denoising and artifact-removal networks remains largely an open problem: Given fixed network weights, one inherently trades-off specialization at one task (e.g.,~removing Poisson noise) for performance at another (e.g.,~removing speckle noise). In addition, training such a network is challenging due to the curse of dimensionality: As one increases the dimensions of the specification-space (i.e.,~the number of parameters needed to describe the noise distribution) the number of unique specifications one needs to train for grows exponentially. Uniformly sampling this space will result in a network that does well at very challenging problem specifications but poorly at easy problem specifications, where even large errors will have a small effect on the overall mean squared error. In this work we propose training denoising networks using an adaptive-sampling/active-learning strategy. Our work improves upon a recently proposed universal denoiser training strategy by extending these results to higher dimensions and by incorporating a polynomial approximation of the true specification-loss landscape. This approximation allows us to reduce training times by almost two orders of magnitude. We test our method on simulated joint Poisson-Gaussian-Speckle noise and demonstrate that with our proposed training strategy, a single blind, generalist denoiser network can achieve peak signal-to-noise ratios within a uniform bound of specialized denoiser networks across a large range of operating conditions. We also capture a small dataset of images with varying amounts of joint Poisson-Gaussian-Speckle noise and demonstrate that a universal denoiser trained using our adaptive-sampling strategy outperforms uniformly trained baselines.
Authors: Dawen Zhang, Boming Xia, Yue Liu, Xiwei Xu, Thong Hoang, Zhenchang Xing, Mark Staples, Qinghua Lu, Liming Zhu
Abstract: The advent of Generative AI has marked a significant milestone in artificial intelligence, demonstrating remarkable capabilities in generating realistic images, texts, and data patterns. However, these advancements come with heightened concerns over data privacy and copyright infringement, primarily due to the reliance on vast datasets for model training. Traditional approaches like differential privacy, machine unlearning, and data poisoning only offer fragmented solutions to these complex issues. Our paper delves into the multifaceted challenges of privacy and copyright protection within the data lifecycle. We advocate for integrated approaches that combines technical innovation with ethical foresight, holistically addressing these concerns by investigating and devising solutions that are informed by the lifecycle perspective. This work aims to catalyze a broader discussion and inspire concerted efforts towards data privacy and copyright integrity in Generative AI.
Authors: Ningyu Zhang, Yunzhi Yao, Bozhong Tian, Peng Wang, Shumin Deng, Mengru Wang, Zekun Xi, Shengyu Mao, Jintian Zhang, Yuansheng Ni, Siyuan Cheng, Ziwen Xu, Xin Xu, Jia-Chen Gu, Yong Jiang, Pengjun Xie, Fei Huang, Lei Liang, Zhiqiang Zhang, Xiaowei Zhu, Jun Zhou, Huajun Chen
Abstract: Large Language Models (LLMs) have shown extraordinary capabilities in understanding and generating text that closely mirrors human communication. However, a primary limitation lies in the significant computational demands during training, arising from their extensive parameterization. This challenge is further intensified by the dynamic nature of the world, necessitating frequent updates to LLMs to correct outdated information or integrate new knowledge, thereby ensuring their continued relevance. Note that many applications demand continual model adjustments post-training to address deficiencies or undesirable behaviors. There is an increasing interest in efficient, lightweight methods for on-the-fly model modifications. To this end, recent years have seen a burgeoning in the techniques of knowledge editing for LLMs, which aim to efficiently modify LLMs' behaviors within specific domains while preserving overall performance across various inputs. In this paper, we first define the knowledge editing problem and then provide a comprehensive review of cutting-edge approaches. Drawing inspiration from educational and cognitive research theories, we propose a unified categorization criterion that classifies knowledge editing methods into three groups: resorting to external knowledge, merging knowledge into the model, and editing intrinsic knowledge. Furthermore, we introduce a new benchmark, KnowEdit, for a comprehensive empirical evaluation of representative knowledge editing approaches. Additionally, we provide an in-depth analysis of knowledge location, which can give a deeper understanding of the knowledge structures inherent within LLMs. Finally, we discuss several potential applications of knowledge editing, outlining its broad and impactful implications.
Authors: Pittawat Taveekitworachai, Febri Abdullah, Ruck Thawonmas
Abstract: This paper presents null-shot prompting. Null-shot prompting exploits hallucination in large language models (LLMs) by instructing LLMs to utilize information from the "Examples" section that never exists within the provided context to perform a task. While reducing hallucination is crucial and non-negligible for daily and critical uses of LLMs, we propose that in the current landscape in which these LLMs still hallucinate, it is possible, in fact, to exploit hallucination to increase performance in performing tasks compared to standard zero-shot prompting. Experiments with eight LLMs show improvements in performance across the majority of eight datasets, including reading comprehension, arithmetic reasoning, and closed-book question answering. The observed inconsistency in increased relative performance across the LLMs also potentially indicates a different degree of inherent hallucination in each model. These differences show that it is possible to utilize null-shot prompting as a way to detect degrees of hallucination in LLMs using existing benchmarking datasets. We also perform ablation studies, including experimenting with a modified version of null-shot prompting that incorporates ideas from zero-shot chain-of-thought prompting, which shows different trends of results.
Authors: Emilio Morales-Juarez, Gibran Fuentes-Pineda
Abstract: Although the capacity of deep generative models for image generation, such as Diffusion Models (DMs) and Generative Adversarial Networks (GANs), has dramatically improved in recent years, much of their success can be attributed to computationally expensive architectures. This has limited their adoption and use to research laboratories and companies with large resources, while significantly raising the carbon footprint for training, fine-tuning, and inference. In this work, we present a novel GAN architecture which we call LadaGAN. This architecture is based on a linear attention Transformer block named Ladaformer. The main component of this block is a linear additive-attention mechanism that computes a single attention vector per head instead of the quadratic dot-product attention. We employ Ladaformer in both the generator and discriminator, which reduces the computational complexity and overcomes the training instabilities often associated with Transformer GANs. LadaGAN consistently outperforms existing convolutional and Transformer GANs on benchmark datasets at different resolutions while being significantly more efficient. Moreover, LadaGAN shows competitive performance compared to state-of-the-art multi-step generative models (e.g. DMs) using orders of magnitude less computational resources.
Authors: Sandipp Krishnan Ravi, Yigitcan Comlek, Arjun Pathak, Vipul Gupta, Rajnikant Umretiya, Andrew Hoffman, Ghanshyam Pilania, Piyush Pandita, Sayan Ghosh, Nathaniel Mckeever, Wei Chen, Liping Wang
Abstract: With the advent of artificial intelligence and machine learning, various domains of science and engineering communities have leveraged data-driven surrogates to model complex systems through fusing numerous sources of information (data) from published papers, patents, open repositories, or other resources. However, not much attention has been paid to the differences in quality and comprehensiveness of the known and unknown underlying physical parameters of the information sources, which could have downstream implications during system optimization. Additionally, existing methods cannot fuse multi-source data into a single predictive model. Towards resolving this issue, a multi-source data fusion framework based on Latent Variable Gaussian Process (LVGP) is proposed. The individual data sources are tagged as a characteristic categorical variable that are mapped into a physically interpretable latent space, allowing the development of source-aware data fusion modeling. Additionally, a dissimilarity metric based on the latent variables of LVGP is introduced to study and understand the differences in the sources of data. The proposed approach is demonstrated on and analyzed through two mathematical and two materials science case studies. From the case studies, it is observed that compared to using single-source and source unaware machine learning models, the proposed multi-source data fusion framework can provide better predictions for sparse-data problems.
Authors: Daniel Beaglehole, Ioannis Mitliagkas, Atish Agarwala
Abstract: Understanding the mechanisms through which neural networks extract statistics from input-label pairs through feature learning is one of the most important unsolved problems in supervised learning. Prior works demonstrated that the gram matrices of the weights (the neural feature matrices, NFM) and the average gradient outer products (AGOP) become correlated during training, in a statement known as the neural feature ansatz (NFA). Through the NFA, the authors introduce mapping with the AGOP as a general mechanism for neural feature learning. However, these works do not provide a theoretical explanation for this correlation or its origins. In this work, we further clarify the nature of this correlation, and explain its emergence. We show that this correlation is equivalent to alignment between the left singular structure of the weight matrices and the newly defined pre-activation tangent features at each layer. We further establish that the alignment is driven by the interaction of weight changes induced by SGD with the pre-activation features, and analyze the resulting dynamics analytically at early times in terms of simple statistics of the inputs and labels. We prove the derivative alignment occurs almost surely in specific high dimensional settings. Finally, we introduce a simple optimization rule motivated by our analysis of the centered correlation which dramatically increases the NFA correlations at any given layer and improves the quality of features learned.
Authors: Jon Saad-Falcon, Daniel Y. Fu, Simran Arora, Neel Guha, Christopher R\'e
Abstract: Retrieval pipelines-an integral component of many machine learning systems-perform poorly in domains where documents are long (e.g., 10K tokens or more) and where identifying the relevant document requires synthesizing information across the entire text. Developing long-context retrieval encoders suitable for these domains raises three challenges: (1) how to evaluate long-context retrieval performance, (2) how to pretrain a base language model to represent both short contexts (corresponding to queries) and long contexts (corresponding to documents), and (3) how to fine-tune this model for retrieval under the batch size limitations imposed by GPU memory constraints. To address these challenges, we first introduce LoCoV1, a novel 12 task benchmark constructed to measure long-context retrieval where chunking is not possible or not effective. We next present the M2-BERT retrieval encoder, an 80M parameter state-space encoder model built from the Monarch Mixer architecture, capable of scaling to documents up to 32K tokens long. We describe a pretraining data mixture which allows this encoder to process both short and long context sequences, and a finetuning approach that adapts this base model to retrieval with only single-sample batches. Finally, we validate the M2-BERT retrieval encoder on LoCoV1, finding that it outperforms competitive Transformer-based models by at least 23.3 points, despite containing upwards of 90x fewer parameters.
Authors: Zhiyuan Wang, Jinhao Duan, Chenxi Yuan, Qingyu Chen, Tianlong Chen, Yue Zhang, Ren Wang, Xiaoshuang Shi, Kaidi Xu
Abstract: Uncertainty estimation is crucial for the reliability of safety-critical human and artificial intelligence (AI) interaction systems, particularly in the domain of healthcare engineering. However, a robust and general uncertainty measure for free-form answers has not been well-established in open-ended medical question-answering (QA) tasks, where generative inequality introduces a large number of irrelevant words and sequences within the generated set for uncertainty quantification (UQ), which can lead to biases. This paper introduces Word-Sequence Entropy (WSE), a method that calibrates uncertainty at both the word and sequence levels, considering semantic relevance. WSE quantifies uncertainty in a way that is more closely aligned with the reliability of LLMs during uncertainty quantification (UQ). We compare WSE with six baseline methods on five free-form medical QA datasets, utilizing seven popular large language models (LLMs). Experimental results demonstrate that WSE exhibits superior performance in UQ under two standard criteria for correctness evaluation. Additionally, in terms of real-world medical QA applications, the performance of LLMs is significantly enhanced (e.g., a 6.36% improvement in model accuracy on the COVID-QA dataset) by employing responses with lower uncertainty that are identified by WSE as final answers, without any additional task-specific fine-tuning or architectural modifications.
Authors: Natasha K. Dudek, Mariam Chakhvadze, Saba Kobakhidze, Omar Kantidze, Yuriy Gankin
Abstract: Machine learning (ML) is poised to drive innovations in clinical microbiomics, such as in disease diagnostics and prognostics. However, the successful implementation of ML in these domains necessitates the development of reproducible, interpretable models that meet the rigorous performance standards set by regulatory agencies. This study aims to identify key areas in need of improvement in current ML practices within microbiomics, with a focus on bridging the gap between existing methodologies and the requirements for clinical application. To do so, we analyze 100 peer-reviewed articles from 2021-2022. Within this corpus, datasets have a median size of 161.5 samples, with over one-third containing fewer than 100 samples, signaling a high potential for overfitting. Limited demographic data further raises concerns about generalizability and fairness, with 24% of studies omitting participants' country of residence, and attributes like race/ethnicity, education, and income rarely reported (11%, 2%, and 0%, respectively). Methodological issues are also common; for instance, for 86% of studies we could not confidently rule out test set omission and data leakage, suggesting a strong potential for inflated performance estimates across the literature. Reproducibility is also a concern, with 78% of studies abstaining from sharing their ML code publicly. Based on this analysis, we provide guidance to avoid common pitfalls that can hinder model performance, generalizability, and trustworthiness. An interactive tutorial on applying ML to microbiomics data accompanies the discussion, to help establish and reinforce best practices within the community.
Authors: Yuan Gao, Anton Rodomanov, Sebastian U. Stich
Abstract: The stochastic proximal gradient method is a powerful generalization of the widely used stochastic gradient descent (SGD) method and has found numerous applications in Machine Learning. However, it is notoriously known that this method fails to converge in non-convex settings where the stochastic noise is significant (i.e. when only small or bounded batch sizes are used). In this paper, we focus on the stochastic proximal gradient method with Polyak momentum. We prove this method attains an optimal convergence rate for non-convex composite optimization problems, regardless of batch size. Additionally, we rigorously analyze the variance reduction effect of the Polyak momentum in the composite optimization setting and we show the method also converges when the proximal step can only be solved inexactly. Finally, we provide numerical experiments to validate our theoretical results.
Authors: Salim Rukhsar, Anil Kumar Tiwari
Abstract: Electroencephalography (EEG) is a widely used tool for diagnosing brain disorders due to its high temporal resolution, non-invasive nature, and affordability. Manual analysis of EEG is labor-intensive and requires expertise, making automatic EEG interpretation crucial for reducing workload and accurately assessing seizures. In epilepsy diagnosis, prolonged EEG monitoring generates extensive data, often spanning hours, days, or even weeks. While machine learning techniques for automatic EEG interpretation have advanced significantly in recent decades, there remains a gap in its ability to efficiently analyze large datasets with a balance of accuracy and computational efficiency. To address the challenges mentioned above, an Attention Recurrent Neural Network (ARNN) is proposed that can process a large amount of data efficiently and accurately. This ARNN cell recurrently applies attention layers along a sequence and has linear complexity with the sequence length and leverages parallel computation by processing multi-channel EEG signals rather than single-channel signals. In this architecture, the attention layer is a computational unit that efficiently applies self-attention and cross-attention mechanisms to compute a recurrent function over a wide number of state vectors and input signals. This framework is inspired in part by the attention layer and long short-term memory (LSTM) cells, but it scales this typical cell up by several orders to parallelize for multi-channel EEG signals. It inherits the advantages of attention layers and LSTM gate while avoiding their respective drawbacks. The model's effectiveness is evaluated through extensive experiments with heterogeneous datasets, including the CHB-MIT and UPenn and Mayo's Clinic datasets.
Authors: Pierluigi Mansueto, Fabio Schoen
Abstract: In this paper, we propose an extension for semi-supervised Minimum Sum-of-Squares Clustering (MSSC) problems of MDEClust, a memetic framework based on the Differential Evolution paradigm for unsupervised clustering. In semi-supervised MSSC, background knowledge is available in the form of (instance-level) "must-link" and "cannot-link" constraints, each of which indicating if two dataset points should be associated to the same or to a different cluster, respectively. The presence of such constraints makes the problem at least as hard as its unsupervised version and, as a consequence, some framework operations need to be carefully designed to handle this additional complexity: for instance, it is no more true that each point is associated to its nearest cluster center. As far as we know, our new framework, called S-MDEClust, represents the first memetic methodology designed to generate a (hopefully) optimal feasible solution for semi-supervised MSSC problems. Results of thorough computational experiments on a set of well-known as well as synthetic datasets show the effectiveness and efficiency of our proposal.
Authors: Ping Guo, Cheng Gong, Xi Lin, Zhiyuan Yang, Qingfu Zhang
Abstract: The escalating threat of adversarial attacks on deep learning models, particularly in security-critical fields, has underscored the need for robust deep learning systems. Conventional robustness evaluations have relied on adversarial accuracy, which measures a model's performance under a specific perturbation intensity. However, this singular metric does not fully encapsulate the overall resilience of a model against varying degrees of perturbation. To address this gap, we propose a new metric termed adversarial hypervolume, assessing the robustness of deep learning models comprehensively over a range of perturbation intensities from a multi-objective optimization standpoint. This metric allows for an in-depth comparison of defense mechanisms and recognizes the trivial improvements in robustness afforded by less potent defensive strategies. Additionally, we adopt a novel training algorithm that enhances adversarial robustness uniformly across various perturbation intensities, in contrast to methods narrowly focused on optimizing adversarial accuracy. Our extensive empirical studies validate the effectiveness of the adversarial hypervolume metric, demonstrating its ability to reveal subtle differences in robustness that adversarial accuracy overlooks. This research contributes a new measure of robustness and establishes a standard for assessing and benchmarking the resilience of current and future defensive models against adversarial threats.
Authors: Sophie Hanna Langbein, Mateusz Krzyzi\'nski, Miko{\l}aj Spytek, Hubert Baniecki, Przemys{\l}aw Biecek, Marvin N. Wright
Abstract: With the spread and rapid advancement of black box machine learning models, the field of interpretable machine learning (IML) or explainable artificial intelligence (XAI) has become increasingly important over the last decade. This is particularly relevant for survival analysis, where the adoption of IML techniques promotes transparency, accountability and fairness in sensitive areas, such as clinical decision making processes, the development of targeted therapies, interventions or in other medical or healthcare related contexts. More specifically, explainability can uncover a survival model's potential biases and limitations and provide more mathematically sound ways to understand how and which features are influential for prediction or constitute risk factors. However, the lack of readily available IML methods may have deterred medical practitioners and policy makers in public health from leveraging the full potential of machine learning for predicting time-to-event data. We present a comprehensive review of the limited existing amount of work on IML methods for survival analysis within the context of the general IML taxonomy. In addition, we formally detail how commonly used IML methods, such as such as individual conditional expectation (ICE), partial dependence plots (PDP), accumulated local effects (ALE), different feature importance measures or Friedman's H-interaction statistics can be adapted to survival outcomes. An application of several IML methods to real data on data on under-5 year mortality of Ghanaian children from the Demographic and Health Surveys (DHS) Program serves as a tutorial or guide for researchers, on how to utilize the techniques in practice to facilitate understanding of model decisions or predictions.
Authors: Zixian Yang, Lei Ying
Abstract: We consider a dynamic system with multiple types of customers and servers. Each type of waiting customer or server joins a separate queue, forming a bipartite graph with customer-side queues and server-side queues. The platform can match the servers and customers if their types are compatible. The matched pairs then leave the system. The platform will charge a customer a price according to their type when they arrive and will pay a server a price according to their type. The arrival rate of each queue is determined by the price according to some unknown demand or supply functions. Our goal is to design pricing and matching algorithms to maximize the profit of the platform with unknown demand and supply functions, while keeping queue lengths of both customers and servers below a predetermined threshold. This system can be used to model two-sided markets such as ride-sharing markets with passengers and drivers. The difficulties of the problem include simultaneous learning and decision making, and the tradeoff between maximizing profit and minimizing queue length. We use a longest-queue-first matching algorithm and propose a learning-based pricing algorithm, which combines gradient-free stochastic projected gradient ascent with bisection search. We prove that our proposed algorithm yields a sublinear regret $\tilde{O}(T^{5/6})$ and anytime queue-length bound $\tilde{O}(T^{1/6})$, where $T$ is the time horizon. We further establish a tradeoff between the regret bound and the queue-length bound: $\tilde{O}(T^{1-\gamma})$ versus $\tilde{O}(T^{\gamma})$ for $\gamma \in (0, 1/6].$
Authors: Zelin He, Ying Sun, Jingyuan Liu, Runze Li
Abstract: We consider the transfer learning problem in the high dimensional linear regression setting, where the feature dimension is larger than the sample size. To learn transferable information, which may vary across features or the source samples, we propose an adaptive transfer learning method that can detect and aggregate the feature-wise (F-AdaTrans) or sample-wise (S-AdaTrans) transferable structures. We achieve this by employing a fused-penalty, coupled with weights that can adapt according to the transferable structure. To choose the weight, we propose a theoretically informed, data-driven procedure, enabling F-AdaTrans to selectively fuse the transferable signals with the target while filtering out non-transferable signals, and S-AdaTrans to obtain the optimal combination of information transferred from each source sample. We show that, with appropriately chosen weights, F-AdaTrans achieves a convergence rate close to that of an oracle estimator with a known transferable structure, and S-AdaTrans recovers existing near-minimax optimal rates as a special case. The effectiveness of the proposed method is validated using both simulation and real data, demonstrating favorable performance compared to the existing methods.
Authors: Yalda Zafari-Ghadim, Ahmed Soliman, Yousif Yousif, Ahmed Ibrahim, Essam A. Rashed, Mohamed Mabrok
Abstract: Stroke segmentation plays a crucial role in the diagnosis and treatment of stroke patients by providing spatial information about affected brain regions and the extent of damage. Segmenting stroke lesions accurately is a challenging task, given that conventional manual techniques are time consuming and prone to errors. Recently, advanced deep models have been introduced for general medical image segmentation, demonstrating promising results that surpass many state of the art networks when evaluated on specific datasets. With the advent of the vision Transformers, several models have been introduced based on them, while others have aimed to design better modules based on traditional convolutional layers to extract long-range dependencies like Transformers. The question of whether such high-level designs are necessary for all segmentation cases to achieve the best results remains unanswered. In this study, we selected four types of deep models that were recently proposed and evaluated their performance for stroke segmentation: a pure Transformer-based architecture (DAE-Former), two advanced CNN-based models (LKA and DLKA) with attention mechanisms in their design, an advanced hybrid model that incorporates CNNs with Transformers (FCT), and the well-known self-adaptive nnUNet framework with its configuration based on given data. We examined their performance on two publicly available datasets, and found that the nnUNet achieved the best results with the simplest design among all. Revealing the robustness issue of Transformers to such variabilities serves as a potential reason for their weaker performance. Furthermore, nnUNet's success underscores the significant impact of preprocessing and postprocessing techniques in enhancing segmentation results, surpassing the focus solely on architectural designs
Authors: Md. Simul Hasan Talukder, Sharmin Akter, Abdullah Hafez Nur, Mohammad Aljaidi, Rejwan Bin Sulaiman, Ali Fayez Alkoradees
Abstract: Sugarcane, a key crop for the world's sugar industry, is prone to several diseases that have a substantial negative influence on both its yield and quality. To effectively manage and implement preventative initiatives, diseases must be detected promptly and accurately. In this study, we present a unique model called sugarcaneNet2024 that outperforms previous methods for automatically and quickly detecting sugarcane disease through leaf image processing. Our proposed model consolidates an optimized weighted average ensemble of seven customized and LASSO-regularized pre-trained models, particularly InceptionV3, InceptionResNetV2, DenseNet201, DenseNet169, Xception, and ResNet152V2. Initially, we added three more dense layers with 0.0001 LASSO regularization, three 30% dropout layers, and three batch normalizations with renorm enabled at the bottom of these pre-trained models to improve the performance. The accuracy of sugarcane leaf disease classification was greatly increased by this addition. Following this, several comparative studies between the average ensemble and individual models were carried out, indicating that the ensemble technique performed better. The average ensemble of all modified pre-trained models produced outstanding outcomes: 100%, 99%, 99%, and 99.45% for f1 score, precision, recall, and accuracy, respectively. Performance was further enhanced by the implementation of an optimized weighted average ensemble technique incorporated with grid search. This optimized sugarcaneNet2024 model performed the best for detecting sugarcane diseases, having achieved accuracy, precision, recall, and F1 score of 99.67%, 100%, 100%, and 100% , respectively.
Authors: Zhengyuan Jiang, Moyang Guo, Yuepeng Hu, Neil Zhenqiang Gong
Abstract: Several companies have deployed watermark-based detection to identify AI-generated content. However, attribution--the ability to trace back to the user of a generative AI (GenAI) service who created a given piece of AI-generated content--remains largely unexplored despite its growing importance. In this work, we aim to bridge this gap by conducting the first systematic study on watermark-based, user-level attribution of AI-generated content. Our key idea is to assign a unique watermark to each user of the GenAI service and embed this watermark into the AI-generated content created by that user. Attribution is then performed by identifying the user whose watermark best matches the one extracted from the given content. This approach, however, faces a key challenge: How should watermarks be selected for users to maximize attribution performance? To address the challenge, we first theoretically derive lower bounds on detection and attribution performance through rigorous probabilistic analysis for any given set of user watermarks. Then, we select watermarks for users to maximize these lower bounds, thereby optimizing detection and attribution performance. Our theoretical and empirical results show that watermark-based attribution inherits both the accuracy and (non-)robustness properties of the underlying watermark. Specifically, attribution remains highly accurate when the watermarked AI-generated content is either not post-processed or subjected to common post-processing such as JPEG compression, as well as black-box adversarial post-processing with limited query budgets.
Authors: Ming Li, Taojiannan Yang, Huafeng Kuang, Jie Wu, Zhaoning Wang, Xuefeng Xiao, Chen Chen
Abstract: To enhance the controllability of text-to-image diffusion models, existing efforts like ControlNet incorporated image-based conditional controls. In this paper, we reveal that existing methods still face significant challenges in generating images that align with the image conditional controls. To this end, we propose ControlNet++, a novel approach that improves controllable generation by explicitly optimizing pixel-level cycle consistency between generated images and conditional controls. Specifically, for an input conditional control, we use a pre-trained discriminative reward model to extract the corresponding condition of the generated images, and then optimize the consistency loss between the input conditional control and extracted condition. A straightforward implementation would be generating images from random noises and then calculating the consistency loss, but such an approach requires storing gradients for multiple sampling timesteps, leading to considerable time and memory costs. To address this, we introduce an efficient reward strategy that deliberately disturbs the input images by adding noise, and then uses the single-step denoised images for reward fine-tuning. This avoids the extensive costs associated with image sampling, allowing for more efficient reward fine-tuning. Extensive experiments show that ControlNet++ significantly improves controllability under various conditional controls. For example, it achieves improvements over ControlNet by 11.1% mIoU, 13.4% SSIM, and 7.6% RMSE, respectively, for segmentation mask, line-art edge, and depth conditions. All the code, models, demo and organized data have been open sourced on our Github Repo.
Authors: Gang Liao, Ye Liu, Jianjun Chen, Daniel J. Abadi
Abstract: The past two decades have witnessed significant success in applying columnar storage to data warehousing and analytics. However, the rapid growth of machine learning poses new challenges. This paper presents Bullion, a columnar storage system tailored for machine learning workloads. Bullion addresses the complexities of data compliance, optimizes the encoding of long sequence sparse features, efficiently manages wide-table projections, introduces feature quantization in storage, enables quality-aware sequential reads for multimodal training data, and provides a comprehensive cascading encoding framework that unifies diverse encoding schemes through modular, composable interfaces. By aligning with the evolving requirements of ML applications, Bullion facilitates the application of columnar storage and processing to modern application scenarios such as those within advertising, recommendation systems, and Generative AI. Preliminary experimental results and theoretical analysis demonstrate Bullion's improved ability to deliver strong performance in the face of the unique demands of machine learning workloads compared to existing columnar storage solutions. Bullion significantly reduces I/O costs for deletion compliance, achieves substantial storage savings with its optimized encoding scheme for sparse features, and improves metadata parsing speed for wide-table projections. These advancements enable Bullion to become an important component in the future of machine learning infrastructure, enabling organizations to efficiently manage and process the massive volumes of data required for training and inference in modern AI applications.
Authors: Danqing Ma, Meng Wang, Ao Xiang, Zongqing Qi, Qin Yang
Abstract: This study proposes a multi-modal fusion framework Multitrans based on the Transformer architecture and self-attention mechanism. This architecture combines the study of non-contrast computed tomography (NCCT) images and discharge diagnosis reports of patients undergoing stroke treatment, using a variety of methods based on Transformer architecture approach to predicting functional outcomes of stroke treatment. The results show that the performance of single-modal text classification is significantly better than single-modal image classification, but the effect of multi-modal combination is better than any single modality. Although the Transformer model only performs worse on imaging data, when combined with clinical meta-diagnostic information, both can learn better complementary information and make good contributions to accurately predicting stroke treatment effects..
Authors: Achyut Paudel, Jostan Brown, Priyanka Upadhyaya, Atif Bilal Asad, Safal Kshetri, Joseph R. Davidson, Cindy Grimm, Ashley Thompson, Bernardita Sallato, Matthew D. Whiting, Manoj Karkee
Abstract: Apple(\textit{Malus domestica} Borkh.) trees are deciduous, shedding leaves each year. This process is preceded by a gradual change in leaf color from green to yellow as chlorophyll is degraded prior to abscission. The initiation and rate of this color change are affected by many factors including leaf nitrogen (N) concentration. We predict that leaf color during this transition may be indicative of the nitrogen status of apple trees. This study assesses a machine vision-based system for quantifying the change in leaf color and its correlation with leaf nitrogen content. An image dataset was collected in color and 3D over five weeks in the fall of 2021 and 2023 at a commercial orchard using a ground vehicle-based stereovision sensor. Trees in the foreground were segmented from the point cloud using color and depth thresholding methods. Then, to estimate the proportion of yellow leaves per canopy, the color information of the segmented canopy area was quantified using a custom-defined metric, \textit{yellowness index} (a normalized ratio of yellow to green foliage in the tree) that varied from -1 to +1 (-1 being completely green and +1 being completely yellow). Both K-means-based methods and gradient boosting methods were used to estimate the \textit{yellowness index}. The gradient boosting based method proposed in this study was better than the K-means-based method (both in terms of computational time and accuracy), achieving an $R^2$ of 0.72 in estimating the \textit{yellowness index}. The metric was able to capture the gradual color transition from green to yellow over the study duration. Trees with lower leaf nitrogen showed the color transition to yellow earlier than the trees with higher nitrogen. Keywords: Fruit Tree Nitrogen Management, Machine Vision, Point Cloud Segmentation, Precision Nitrogen Management
Authors: Andrew Melnik, Michal Ljubljanac, Cong Lu, Qi Yan, Weiming Ren, Helge Ritter
Abstract: Diffusion generative models have recently become a powerful technique for creating and modifying high-quality, coherent video content. This survey provides a comprehensive overview of the critical components of diffusion models for video generation, including their applications, architectural design, and temporal dynamics modeling. The paper begins by discussing the core principles and mathematical formulations, then explores various architectural choices and methods for maintaining temporal consistency. A taxonomy of applications is presented, categorizing models based on input modalities such as text prompts, images, videos, and audio signals. Advancements in text-to-video generation are discussed to illustrate the state-of-the-art capabilities and limitations of current approaches. Additionally, the survey summarizes recent developments in training and evaluation practices, including the use of diverse video and image datasets and the adoption of various evaluation metrics to assess model performance. The survey concludes with an examination of ongoing challenges, such as generating longer videos and managing computational costs, and offers insights into potential future directions for the field. By consolidating the latest research and developments, this survey aims to serve as a valuable resource for researchers and practitioners working with video diffusion models. Website: https://github.com/ndrwmlnk/Awesome-Video-Diffusion-Models
URLs: https://github.com/ndrwmlnk/Awesome-Video-Diffusion-Models
Authors: Sohini Roychowdhury, Marko Krema, Anvar Mahammad, Brian Moore, Arijit Mukherjee, Punit Prakashchandra
Abstract: Large language models (LLMs) with retrieval augmented-generation (RAG) have been the optimal choice for scalable generative AI solutions in the recent past. Although RAG implemented with AI agents (agentic-RAG) has been recently popularized, its suffers from unstable cost and unreliable performances for Enterprise-level data-practices. Most existing use-cases that incorporate RAG with LLMs have been either generic or extremely domain specific, thereby questioning the scalability and generalizability of RAG-LLM approaches. In this work, we propose a unique LLM-based system where multiple LLMs can be invoked to enable data authentication, user-query routing, data-retrieval and custom prompting for question-answering capabilities from Enterprise-data tables. The source tables here are highly fluctuating and large in size and the proposed framework enables structured responses in under 10 seconds per query. Additionally, we propose a five metric scoring module that detects and reports hallucinations in the LLM responses. Our proposed system and scoring metrics achieve >90% confidence scores across hundreds of user queries in the sustainability, financial health and social media domains. Extensions to the proposed extreme RAG architectures can enable heterogeneous source querying using LLMs.
Authors: D. Subhalingam, Keshav Kolluru, Mausam, Saurabh Singal
Abstract: In the e-commerce domain, the accurate extraction of attribute-value pairs (e.g., Brand: Apple) from product titles and user search queries is crucial for enhancing search and recommendation systems. A major challenge with neural models for this task is the lack of high-quality training data, as the annotations for attribute-value pairs in the available datasets are often incomplete. To address this, we introduce GenToC, a model designed for training directly with partially-labeled data, eliminating the necessity for a fully annotated dataset. GenToC employs a marker-augmented generative model to identify potential attributes, followed by a token classification model that determines the associated values for each attribute. GenToC outperforms existing state-of-the-art models, exhibiting upto 56.3% increase in the number of accurate extractions. Furthermore, we utilize GenToC to regenerate the training dataset to expand attribute-value annotations. This bootstrapping substantially improves the data quality for training other standard NER models, which are typically faster but less capable in handling partially-labeled data, enabling them to achieve comparable performance to GenToC. Our results demonstrate GenToC's unique ability to learn from a limited set of partially-labeled data and improve the training of more efficient models, advancing the automated extraction of attribute-value pairs. Finally, our model has been successfully integrated into IndiaMART, India's largest B2B e-commerce platform, achieving a significant increase of 20.2% in the number of correctly identified attribute-value pairs over the existing deployed system while achieving a high precision of 89.5%.
Authors: Elliot Paquette, Courtney Paquette, Lechao Xiao, Jeffrey Pennington
Abstract: We consider the solvable neural scaling model with three parameters: data complexity, target complexity, and model-parameter-count. We use this neural scaling model to derive new predictions about the compute-limited, infinite-data scaling law regime. To train the neural scaling model, we run one-pass stochastic gradient descent on a mean-squared loss. We derive a representation of the loss curves which holds over all iteration counts and improves in accuracy as the model parameter count grows. We then analyze the compute-optimal model-parameter-count, and identify 4 phases (+3 subphases) in the data-complexity/target-complexity phase-plane. The phase boundaries are determined by the relative importance of model capacity, optimizer noise, and embedding of the features. We furthermore derive, with mathematical proof and extensive numerical evidence, the scaling-law exponents in all of these phases, in particular computing the optimal model-parameter-count as a function of floating point operation budget.
Authors: Masahito Uwamichi, Simon K. Schnyder, Tetsuya J. Kobayashi, Satoshi Sawai
Abstract: Analyzing the motion of multiple biological agents, be it cells or individual animals, is pivotal for the understanding of complex collective behaviors. With the advent of advanced microscopy, detailed images of complex tissue formations involving multiple cell types have become more accessible in recent years. However, deciphering the underlying rules that govern cell movements is far from trivial. Here, we present a novel deep learning framework for estimating the underlying equations of motion from observed trajectories, a pivotal step in decoding such complex dynamics. Our framework integrates graph neural networks with neural differential equations, enabling effective prediction of two-body interactions based on the states of the interacting entities. We demonstrate the efficacy of our approach through two numerical experiments. First, we used simulated data from a toy model to tune the hyperparameters. Based on the obtained hyperparameters, we then applied this approach to a more complex model with non-reciprocal forces that mimic the collective dynamics of the cells of slime molds. Our results show that the proposed method can accurately estimate the functional forms of two-body interactions -- even when they are nonreciprocal -- thereby precisely replicating both individual and collective behaviors within these systems.
Authors: Zican Dong, Junyi Li, Xin Men, Wayne Xin Zhao, Bingbing Wang, Zhen Tian, Weipeng Chen, Ji-Rong Wen
Abstract: Transformer-based large language models (LLMs) typically have a limited context window, resulting in significant performance degradation when processing text beyond the length of the context window. Extensive studies have been proposed to extend the context window and achieve length extrapolation of LLMs, but there is still a lack of in-depth interpretation of these approaches. In this study, we explore the positional information within and beyond the context window for deciphering the underlying mechanism of LLMs. By using a mean-based decomposition method, we disentangle positional vectors from hidden states of LLMs and analyze their formation and effect on attention. Furthermore, when texts exceed the context window, we analyze the change of positional vectors in two settings, i.e., direct extrapolation and context window extension. Based on our findings, we design two training-free context window extension methods, positional vector replacement and attention window extension. Experimental results show that our methods can effectively extend the context window length.
Authors: Linus Jeary, Tom Kuipers, Mehran Hosseini, Nicola Paoletti
Abstract: Conformal Prediction (CP) is a popular uncertainty quantification method that provides distribution-free, statistically valid prediction sets, assuming that training and test data are exchangeable. In such a case, CP's prediction sets are guaranteed to cover the (unknown) true test output with a user-specified probability. Nevertheless, this guarantee is violated when the data is subjected to adversarial attacks, which often result in a significant loss of coverage. Recently, several approaches have been put forward to recover CP guarantees in this setting. These approaches leverage variations of randomised smoothing to produce conservative sets which account for the effect of the adversarial perturbations. They are, however, limited in that they only support $\ell^2$-bounded perturbations and classification tasks. This paper introduces VRCP (Verifiably Robust Conformal Prediction), a new framework that leverages recent neural network verification methods to recover coverage guarantees under adversarial attacks. Our VRCP method is the first to support perturbations bounded by arbitrary norms including $\ell^1$, $\ell^2$, and $\ell^\infty$, as well as regression tasks. We evaluate and compare our approach on image classification tasks (CIFAR10, CIFAR100, and TinyImageNet) and regression tasks for deep reinforcement learning environments. In every case, VRCP achieves above nominal coverage and yields significantly more efficient and informative prediction regions than the SotA.
Authors: Hoang-Quan Nguyen, Xuan Bac Nguyen, Samuel Yen-Chi Chen, Hugh Churchill, Nicholas Borys, Samee U. Khan, Khoa Luu
Abstract: Parameterized Quantum Circuits (PQCs) have been acknowledged as a leading strategy to utilize near-term quantum advantages in multiple problems, including machine learning and combinatorial optimization. When applied to specific tasks, the parameters in the quantum circuits are trained to minimize the target function. Although there have been comprehensive studies to improve the performance of the PQCs on practical tasks, the errors caused by the quantum noise downgrade the performance when running on real quantum computers. In particular, when the quantum state is transformed through multiple quantum circuit layers, the effect of the quantum noise happens cumulatively and becomes closer to the maximally mixed state or complete noise. This paper studies the relationship between the quantum noise and the diffusion model. Then, we propose a novel diffusion-inspired learning approach to mitigate the quantum noise in the PQCs and reduce the error for specific tasks. Through our experiments, we illustrate the efficiency of the learning strategy and achieve state-of-the-art performance on classification tasks in the quantum noise scenarios.
Authors: Ziyad Benomar, Christian Coester
Abstract: Priority queues are one of the most fundamental and widely used data structures in computer science. Their primary objective is to efficiently support the insertion of new elements with assigned priorities and the extraction of the highest priority element. In this study, we investigate the design of priority queues within the learning-augmented framework, where algorithms use potentially inaccurate predictions to enhance their worst-case performance. We examine three prediction models spanning different use cases, and show how the predictions can be leveraged to enhance the performance of priority queue operations. Moreover, we demonstrate the optimality of our solution and discuss some possible applications.
Authors: Zichun Yu, Spandan Das, Chenyan Xiong
Abstract: Pretraining data selection has the potential to improve language model pretraining efficiency by utilizing higher-quality data from massive web data corpora. Current data selection methods, which rely on either hand-crafted rules or larger reference models, are conducted statically and do not capture the evolving data preferences during pretraining. In this paper, we introduce model-aware data selection with data influence models (MATES), where a data influence model continuously adapts to the evolving data preferences of the pretraining model and then selects the data most effective for the current pretraining progress. Specifically, we collect oracle data influence by locally probing the pretraining model and fine-tune a small data influence model to approximate it accurately. The data influence model then predicts data influence over the whole pretraining corpus and selects the most influential data for the next pretraining stage. Experiments of pretraining 410M and 1B models on the C4 dataset demonstrate that MATES significantly outperforms random data selection on extensive downstream tasks. It doubles the gains achieved by the state-of-the-art data selection approach that leverages larger reference models and reduces the total FLOPs required to reach certain performances by half. Further analyses validate the effectiveness of the locally probed oracle data influence and the approximation with data influence models. Our code is open-sourced at https://github.com/cxcscmu/MATES.
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 that 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 demonstrate DecoR's effectiveness through experiments on both synthetic and real-world data from Earth system science. The simulation experiments furthermore suggest that DecoR is robust with respect to model misspecification.
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: Amit Das, Zheng Zhang, Najib Hasan, Souvika Sarkar, Fatemeh Jamshidi, Tathagata Bhattacharya, Mostafa Rahgouy, Nilanjana Raychawdhary, Dongji Feng, Vinija Jain, Aman Chadha, Mary Sandage, Lauramarie Pope, Gerry Dozier, Cheryl Seals
Abstract: Data annotation, the practice of assigning descriptive labels to raw data, is pivotal in optimizing the performance of machine learning models. However, it is a resource-intensive process susceptible to biases introduced by annotators. The emergence of sophisticated Large Language Models (LLMs) presents a unique opportunity to modernize and streamline this complex procedure. While existing research extensively evaluates the efficacy of LLMs, as annotators, this paper delves into the biases present in LLMs when annotating hate speech data. Our research contributes to understanding biases in four key categories: gender, race, religion, and disability with four LLMs: GPT-3.5, GPT-4o, Llama-3.1 and Gemma-2. Specifically targeting highly vulnerable groups within these categories, we analyze annotator biases. Furthermore, we conduct a comprehensive examination of potential factors contributing to these biases by scrutinizing the annotated data. We introduce our custom hate speech detection dataset, HateBiasNet, to conduct this research. Additionally, we perform the same experiments on the ETHOS (Mollas et al. 2022) dataset also for comparative analysis. This paper serves as a crucial resource, guiding researchers and practitioners in harnessing the potential of LLMs for data annotation, thereby fostering advancements in this critical field.
Authors: Ukyo Honda, Tatsushi Oka, Peinan Zhang, Masato Mita
Abstract: Recent models for natural language understanding are inclined to exploit simple patterns in datasets, commonly known as shortcuts. These shortcuts hinge on spurious correlations between labels and latent features existing in the training data. At inference time, shortcut-dependent models are likely to generate erroneous predictions under distribution shifts, particularly when some latent features are no longer correlated with the labels. To avoid this, previous studies have trained models to eliminate the reliance on shortcuts. In this study, we explore a different direction: pessimistically aggregating the predictions of a mixture-of-experts, assuming each expert captures relatively different latent features. The experimental results demonstrate that our post-hoc control over the experts significantly enhances the model's robustness to the distribution shift in shortcuts. Besides, we show that our approach has some practical advantages. We also analyze our model and provide results to support the assumption.
Authors: Emily Shinkle, Aleksandra Pachalieva, Riti Bahl, Sakib Matin, Brendan Gifford, Galen T. Craven, Nicholas Lubbers
Abstract: Coarse-graining is a molecular modeling technique in which an atomistic system is represented in a simplified fashion that retains the most significant system features that contribute to a target output, while removing the degrees of freedom that are less relevant. This reduction in model complexity allows coarse-grained molecular simulations to reach increased spatial and temporal scales compared to corresponding all-atom models. A core challenge in coarse-graining is to construct a force field that represents the interactions in the new representation in a way that preserves the atomistic-level properties. Many approaches to building coarse-grained force fields have limited transferability between different thermodynamic conditions as a result of averaging over internal fluctuations at a specific thermodynamic state point. Here, we use a graph-convolutional neural network architecture, the Hierarchically Interacting Particle Neural Network with Tensor Sensitivity (HIP-NN-TS), to develop a highly automated training pipeline for coarse grained force fields which allows for studying the transferability of coarse-grained models based on the force-matching approach. We show that this approach not only yields highly accurate force fields, but also that these force fields are more transferable through a variety of thermodynamic conditions. These results illustrate the potential of machine learning techniques such as graph neural networks to improve the construction of transferable coarse-grained force fields.
Authors: Niels M\"undler, Mark Niklas M\"uller, Jingxuan He, Martin Vechev
Abstract: Rigorous software testing is crucial for developing and maintaining high-quality code, making automated test generation a promising avenue for both improving software quality and boosting the effectiveness of code generation methods. However, while code generation with Large Language Models (LLMs) is an extraordinarily active research area, test generation remains relatively unexplored. We address this gap and investigate the capability of LLM-based Code Agents to formalize user issues into test cases. To this end, we propose a novel benchmark based on popular GitHub repositories, containing real-world issues, ground-truth bug-fixes, and golden tests. We find that LLMs generally perform surprisingly well at generating relevant test cases, with Code Agents designed for code repair exceeding the performance of systems designed specifically for test generation. Further, as test generation is a similar but more structured task than code generation, it allows for a more fine-grained analysis using issue reproduction rate and coverage changes, providing a dual metric for analyzing systems designed for code repair. Finally, we find that generated tests are an effective filter for proposed code fixes, doubling the precision of SWE-Agent. We release all data and code at https://github.com/logic-star-ai/SWT-Bench
Authors: Alexandros Kontogiannis, Scott V. Elgersma, Andrew J. Sederman, Matthew P. Juniper
Abstract: We formulate and solve a Bayesian inverse Navier-Stokes (N-S) problem that assimilates velocimetry data in order to jointly reconstruct a 3D flow field and learn the unknown N-S parameters, including the boundary position. By hardwiring a generalised N-S problem, and regularising its unknown parameters using Gaussian prior distributions, we learn the most likely parameters in a collapsed search space. The most likely flow field reconstruction is then the N-S solution that corresponds to the learned parameters. We develop the method in the variational setting and use a stabilised Nitsche weak form of the N-S problem that permits the control of all N-S parameters. To regularise the inferred the geometry, we use a viscous signed distance field (vSDF) as an auxiliary variable, which is given as the solution of a viscous Eikonal boundary value problem. We devise an algorithm that solves this inverse problem, and numerically implement it using an adjoint-consistent stabilised cut-cell finite element method. We then use this method to reconstruct magnetic resonance velocimetry (flow-MRI) data of a 3D steady laminar flow through a physical model of an aortic arch for two different Reynolds numbers and signal-to-noise ratio (SNR) levels (low/high). We find that the method can accurately i) reconstruct the low SNR data by filtering out the noise/artefacts and recovering flow features that are obscured by noise, and ii) reproduce the high SNR data without overfitting. Although the framework that we develop applies to 3D steady laminar flows in complex geometries, it readily extends to time-dependent laminar and Reynolds-averaged turbulent flows, as well as non-Newtonian (e.g. viscoelastic) fluids.
Authors: Zhiyuan Wang, Jinhao Duan, Lu Cheng, Yue Zhang, Qingni Wang, Xiaoshuang Shi, Kaidi Xu, Hengtao Shen, Xiaofeng Zhu
Abstract: Uncertainty quantification (UQ) in natural language generation (NLG) tasks remains an open challenge, exacerbated by the closed-source nature of the latest large language models (LLMs). This study investigates applying conformal prediction (CP), which can transform any heuristic uncertainty notion into rigorous prediction sets, to black-box LLMs in open-ended NLG tasks. We introduce a novel uncertainty measure based on self-consistency theory, and then develop a conformal uncertainty criterion by integrating the uncertainty condition aligned with correctness into the CP algorithm. Empirical evaluations indicate that our uncertainty measure outperforms prior state-of-the-art methods. Furthermore, we achieve strict control over the correctness coverage rate utilizing 7 popular LLMs on 4 free-form NLG datasets, spanning general-purpose and medical scenarios. Additionally, the calibrated prediction sets with small size further highlights the efficiency of our method in providing trustworthy guarantees for practical open-ended NLG applications.
Authors: Hanjun Dai, Bethany Yixin Wang, Xingchen Wan, Bo Dai, Sherry Yang, Azade Nova, Pengcheng Yin, Phitchaya Mangpo Phothilimthana, Charles Sutton, Dale Schuurmans
Abstract: Analytics on structured data is a mature field with many successful methods. However, most real world data exists in unstructured form, such as images and conversations. We investigate the potential of Large Language Models (LLMs) to enable unstructured data analytics. In particular, we propose a new Universal Query Engine (UQE) that directly interrogates and draws insights from unstructured data collections. This engine accepts queries in a Universal Query Language (UQL), a dialect of SQL that provides full natural language flexibility in specifying conditions and operators. The new engine leverages the ability of LLMs to conduct analysis of unstructured data, while also allowing us to exploit advances in sampling and optimization techniques to achieve efficient and accurate query execution. In addition, we borrow techniques from classical compiler theory to better orchestrate the workflow between sampling methods and foundation model calls. We demonstrate the efficiency of UQE on data analytics across different modalities, including images, dialogs and reviews, across a range of useful query types, including conditional aggregation, semantic retrieval and abstraction aggregation.
Authors: Pandiyaraju V, Shravan Venkatraman, Abeshek A, Pavan Kumar S, Aravintakshan S A, Kannan A
Abstract: Alzheimer's disease (AD) is the most common neurodegeneration, annually diagnosed in millions of patients. The present medicine scenario still finds challenges in the exact diagnosis and classification of AD through neuroimaging data. Traditional CNNs can extract a good amount of low-level information in an image but fail to extract high-level minuscule particles, which is a significant challenge in detecting AD from MRI scans. To overcome this, we propose a novel Granular Feature Integration method to combine information extraction at different scales combined with an efficient information flow, enabling the model to capture both broad and fine-grained features simultaneously. We also propose a Bi-Focal Perspective mechanism to highlight the subtle neurofibrillary tangles and amyloid plaques in the MRI scans, ensuring that critical pathological markers are accurately identified. Our model achieved an F1-Score of 99.31%, precision of 99.24%, and recall of 99.51%. These scores prove that our model is significantly better than the state-of-the-art (SOTA) CNNs in existence.
Authors: Branden Butler, Sixing Yu, Arya Mazaheri, Ali Jannesari
Abstract: Inference of Large Language Models (LLMs) across computer clusters has become a focal point of research in recent times, with many acceleration techniques taking inspiration from CPU speculative execution. These techniques reduce bottlenecks associated with memory bandwidth, but also increase end-to-end latency per inference run, requiring high speculation acceptance rates to improve performance. Combined with a variable rate of acceptance across tasks, speculative inference techniques can result in reduced performance. Additionally, pipeline-parallel designs require many user requests to maintain maximum utilization. As a remedy, we propose PipeInfer, a pipelined speculative acceleration technique to reduce inter-token latency and improve system utilization for single-request scenarios while also improving tolerance to low speculation acceptance rates and low-bandwidth interconnects. PipeInfer exhibits up to a 2.15$\times$ improvement in generation speed over standard speculative inference. PipeInfer achieves its improvement through Continuous Asynchronous Speculation and Early Inference Cancellation, the former improving latency and generation speed by running single-token inference simultaneously with several speculative runs, while the latter improves speed and latency by skipping the computation of invalidated runs, even in the middle of inference.
Authors: Katherine M. Collins, Valerie Chen, Ilia Sucholutsky, Hannah Rose Kirk, Malak Sadek, Holli Sargeant, Ameet Talwalkar, Adrian Weller, Umang Bhatt
Abstract: Language models are transforming the ways that their users engage with the world. Despite impressive capabilities, over-consumption of language model outputs risks propagating unchecked errors in the short-term and damaging human capabilities for critical thinking in the long-term. How can we develop scaffolding around language models to curate more appropriate use? We propose selective frictions for language model experiences, inspired by behavioral science interventions, to dampen misuse. Frictions involve small modifications to a user's experience, e.g., the addition of a button impeding model access and reminding a user of their expertise relative to the model. Through a user study with real humans, we observe shifts in user behavior from the imposition of a friction over LLMs in the context of a multi-topic question-answering task as a representative task that people may use LLMs for, e.g., in education and information retrieval. We find that frictions modulate over-reliance by driving down users' click rates while minimally affecting accuracy for those topics. Yet, frictions may have unintended effects. We find marked differences in users' click behaviors even on topics where frictions were not provisioned. Our contributions motivate further study of human-AI behavioral interaction to inform more effective and appropriate LLM use.
Authors: Md Zarif Hossain, Ahmed Imteaj
Abstract: Vision-language models (VLMs) have achieved significant strides in recent times specially in multimodal tasks, yet they remain susceptible to adversarial attacks on their vision components. To address this, we propose Sim-CLIP, an unsupervised adversarial fine-tuning method that enhances the robustness of the widely-used CLIP vision encoder against such attacks while maintaining semantic richness and specificity. By employing a Siamese architecture with cosine similarity loss, Sim-CLIP learns semantically meaningful and attack-resilient visual representations without requiring large batch sizes or momentum encoders. Our results demonstrate that VLMs enhanced with Sim-CLIP's fine-tuned CLIP encoder exhibit significantly enhanced robustness against adversarial attacks, while preserving semantic meaning of the perturbed images. Notably, Sim-CLIP does not require additional training or fine-tuning of the VLM itself; replacing the original vision encoder with our fine-tuned Sim-CLIP suffices to provide robustness. This work underscores the significance of reinforcing foundational models like CLIP to safeguard the reliability of downstream VLM applications, paving the way for more secure and effective multimodal systems.
Authors: Caleb Geren, Amanda Board, Gaby G. Dagher, Tim Andersen, Jun Zhuang
Abstract: With the growing development and deployment of large language models (LLMs) in both industrial and academic fields, their security and safety concerns have become increasingly critical. However, recent studies indicate that LLMs face numerous vulnerabilities, including data poisoning, prompt injections, and unauthorized data exposure, which conventional methods have struggled to address fully. In parallel, blockchain technology, known for its data immutability and decentralized structure, offers a promising foundation for safeguarding LLMs. In this survey, we aim to comprehensively assess how to leverage blockchain technology to enhance LLMs' security and safety. Besides, we propose a new taxonomy of blockchain for large language models (BC4LLMs) to systematically categorize related works in this emerging field. Our analysis includes novel frameworks and definitions to delineate security and safety in the context of BC4LLMs, highlighting potential research directions and challenges at this intersection. Through this study, we aim to stimulate targeted advancements in blockchain-integrated LLM security.
Authors: Adrian Celaya, Evan Lim, Rachel Glenn, Brayden Mi, Alex Balsells, Dawid Schellingerhout, Tucker Netherton, Caroline Chung, Beatrice Riviere, David Fuentes
Abstract: Medical imaging segmentation is a highly active area of research, with deep learning-based methods achieving state-of-the-art results in several benchmarks. However, the lack of standardized tools for training, testing, and evaluating new methods makes the comparison of methods difficult. To address this, we introduce the Medical Imaging Segmentation Toolkit (MIST), a simple, modular, and end-to-end medical imaging segmentation framework designed to facilitate consistent training, testing, and evaluation of deep learning-based medical imaging segmentation methods. MIST standardizes data analysis, preprocessing, and evaluation pipelines, accommodating multiple architectures and loss functions. This standardization ensures reproducible and fair comparisons across different methods. We detail MIST's data format requirements, pipelines, and auxiliary features and demonstrate its efficacy using the BraTS Adult Glioma Post-Treatment Challenge dataset. Our results highlight MIST's ability to produce accurate segmentation masks and its scalability across multiple GPUs, showcasing its potential as a powerful tool for future medical imaging research and development.
Authors: Jing Li
Abstract: The proper use of model evaluation metrics is important for model evaluation and model selection in binary classification tasks. This study investigates how consistent different metrics are at evaluating models across data of different prevalence while the relationships between different variables and the sample size are kept constant. Analyzing 156 data scenarios, 18 model evaluation metrics and five commonly used machine learning models as well as a naive random guess model, I find that evaluation metrics that are less influenced by prevalence offer more consistent evaluation of individual models and more consistent ranking of a set of models. In particular, Area Under the ROC Curve (AUC) which takes all decision thresholds into account when evaluating models has the smallest variance in evaluating individual models and smallest variance in ranking of a set of models. A close threshold analysis using all possible thresholds for all metrics further supports the hypothesis that considering all decision thresholds helps reduce the variance in model evaluation with respect to prevalence change in data. The results have significant implications for model evaluation and model selection in binary classification tasks.
Authors: Yi Zhao, Le Chen, Jan Schneider, Quankai Gao, Juho Kannala, Bernhard Sch\"olkopf, Joni Pajarinen, Dieter B\"uchler
Abstract: It has been a long-standing research goal to endow robot hands with human-level dexterity. Bi-manual robot piano playing constitutes a task that combines challenges from dynamic tasks, such as generating fast while precise motions, with slower but contact-rich manipulation problems. Although reinforcement learning based approaches have shown promising results in single-task performance, these methods struggle in a multi-song setting. Our work aims to close this gap and, thereby, enable imitation learning approaches for robot piano playing at scale. To this end, we introduce the Robot Piano 1 Million (RP1M) dataset, containing bi-manual robot piano playing motion data of more than one million trajectories. We formulate finger placements as an optimal transport problem, thus, enabling automatic annotation of vast amounts of unlabeled songs. Benchmarking existing imitation learning approaches shows that such approaches reach state-of-the-art robot piano playing performance by leveraging RP1M.
Authors: Peder Lyngby, Casper Larsen, Karsten Wedel Jacobsen
Abstract: The optimization of atomic structures plays a pivotal role in understanding and designing materials with desired properties. However, conventional computational methods often struggle with the formidable task of navigating the vast potential energy surface, especially in high-dimensional spaces with numerous local minima. Recent advancements in machine learning-driven surrogate models offer a promising avenue for alleviating this computational burden. In this study, we propose a novel approach that combines the strengths of universal machine learning potentials with a Bayesian approach using Gaussian processes. By using the machine learning potentials as priors for the Gaussian process, the Gaussian process has to learn only the difference between the machine learning potential and the target energy surface calculated for example by density functional theory. This turns out to improve the speed by which the global optimal structure is identified across diverse systems for a well-behaved machine learning potential. The approach is tested on periodic bulk materials, surface structures, and a cluster.
Authors: Zhenxiao Zhang, Zhidong Gao, Yuanxiong Guo, Yanmin Gong
Abstract: Motivated by the drawbacks of cloud-based federated learning (FL), cooperative federated edge learning (CFEL) has been proposed to improve efficiency for FL over mobile edge networks, where multiple edge servers collaboratively coordinate the distributed model training across a large number of edge devices. However, CFEL faces critical challenges arising from dynamic and heterogeneous device properties, which slow down the convergence and increase resource consumption. This paper proposes a heterogeneity-aware CFEL scheme called \textit{Heterogeneity-Aware Cooperative Edge-based Federated Averaging} (HCEF) that aims to maximize the model accuracy while minimizing the training time and energy consumption via adaptive computation and communication compression in CFEL. By theoretically analyzing how local update frequency and gradient compression affect the convergence error bound in CFEL, we develop an efficient online control algorithm for HCEF to dynamically determine local update frequencies and compression ratios for heterogeneous devices. Experimental results show that compared with prior schemes, the proposed HCEF scheme can maintain higher model accuracy while reducing training latency and improving energy efficiency simultaneously.
Authors: Georg A. Gottwald, Sebastian Reich
Abstract: We consider the problem of sampling from an unknown distribution for which only a sufficiently large number of training samples are available. In this paper, we build on previous work combining Schr\"odinger bridges and plug & play Langevin samplers. A key bottleneck of these approaches is the exponential dependence of the required training samples on the dimension, $d$, of the ambient state space. We propose a localization strategy which exploits conditional independence of conditional expectation values. Localization thus replaces a single high-dimensional Schr\"odinger bridge problem by $d$ low-dimensional Schr\"odinger bridge problems over the available training samples. In this context, a connection to multi-head self attention transformer architectures is established. As for the original Schr\"odinger bridge sampling approach, the localized sampler is stable and geometric ergodic. The sampler also naturally extends to conditional sampling and to Bayesian inference. We demonstrate the performance of our proposed scheme through experiments on a high-dimensional Gaussian problem, on a temporal stochastic process, and on a stochastic subgrid-scale parametrization conditional sampling problem. We also extend the idea of localization to plug & play Langevin samplers using kernel-based denoising in combination with Tweedie's formula.
Authors: Stefan Heimersheim
Abstract: The LayerNorm (LN) layer in GPT-style transformer models has long been a hindrance to mechanistic interpretability. LN is a crucial component required to stabilize the training of large language models, and LN or the similar RMSNorm have been used in practically all large language models based on the transformer architecture. The non-linear nature of the LN layers is a hindrance for mechanistic interpretability as it hinders interpretation of the residual stream, and makes it difficult to decompose the model into circuits. Some researchers have gone so far as to name "reasons interpretability researchers hate layer norm." In this paper we show that it is possible to remove the LN layers from a pre-trained GPT2-small model by fine-tuning on a fraction (500M tokens) of the training data. We demonstrate that this LN-free model achieves similar performance to the original model on the OpenWebText and ThePile datasets (-0.05 cross-entropy loss), and the Hellaswag benchmark (-0.5% accuracy). We provide our implementation at https://github.com/ApolloResearch/gpt2_noLN, and fine-tuned GPT2-small models at https://huggingface.co/apollo-research/gpt2_noLN. Our work not only provides a simplified model for mechanistic interpretability research, but also provides evidence that the LN layers, at inference time, do not play a crucial role in transformer models.
URLs: https://github.com/ApolloResearch/gpt2_noLN,, https://huggingface.co/apollo-research/gpt2_noLN.
Authors: Eric Cullhed
Abstract: This article presents an experiment in fine-tuning a pretrained causal language model (Meta's Llama 3.1 8B Instruct) to assist with restoring missing or illegible characters in ancient Greek inscriptions and documentary papyri. Utilizing a straightforward instruction-based approach and a 95%/5% train/test split, the papyrus restoration model achieved a character error rate (CER) of 14.9%, a top-1 accuracy of 73.5%, and a top-20 accuracy of 86.0% for sequences up to 10 characters. A model was also fine-tuned for geographic attribution, reaching a top-1 accuracy of 66.4% and a top-3 accuracy of 79.9%. In chronological attribution, it demonstrated an average deviation of 21.7 years from the actual terminus post/ante quem, with a median deviation of 0 years. For inscriptions, the restoration model achieved a CER of 20.5%, a top-1 accuracy of 63.7%, and a top-20 accuracy of 83.0% for sequences up to 10 characters. In geographic attribution, it attained a top-1 accuracy of 75.0% and a top-3 accuracy of 83.7%, while in dating, it had an average deviation of 37.1 years and a median deviation of 3 years from the actual date range. Benchmarked against the state-of-the-art model (Ithaca) on a shared test set and on recently edited inscriptions, the instruction-tuned models excelled in text restoration, while also offering the practical advantage of ignoring spaces during reconstruction, which aligns with the scriptio continua of ancient textual artifacts. However, their performance in geographic and chronological attribution was lower than Ithaca's. To evaluate the approach in a more even setup, the instruction model was retrained with an 80%/10%/10% train-validation-test split, and still outperformed Ithaca in text restoration. The results suggest that fine-tuning larger pretrained causal language models using instruction templates for emendations and conjectures to ancient texts holds promise.
Authors: Jinghan Li, Zhicheng Sun, Fei Li, Cao Sheng, Jiazhong Yu, Yadong Mu
Abstract: In the endeavor to make autonomous robots take actions, task planning is a major challenge that requires translating high-level task descriptions into long-horizon action sequences. Despite recent advances in language model agents, they remain prone to planning errors and limited in their ability to plan ahead. To address these limitations in robotic planning, we advocate a self-refining scheme that iteratively refines a draft plan until an equilibrium is reached. Remarkably, this process can be optimized end-to-end from an analytical perspective without the need to curate additional verifiers or reward models, allowing us to train self-refining planners in a simple supervised learning fashion. Meanwhile, a nested equilibrium sequence modeling procedure is devised for efficient closed-loop planning that incorporates useful feedback from the environment (or an internal world model). Our method is evaluated on the VirtualHome-Env benchmark, showing advanced performance with better scaling for inference computation. Code is available at https://github.com/Singularity0104/equilibrium-planner.
URLs: https://github.com/Singularity0104/equilibrium-planner.
Authors: August Y. Chen, Karthik Sridharan
Abstract: We study the problem of sampling from high-dimensional distributions using Langevin Dynamics, a natural and popular variant of Gradient Descent where at each step, appropriately scaled Gaussian noise is added. The similarities between Langevin Dynamics and Gradient Flow and Gradient Descent leads to the natural question: if the distribution's log-density can be optimized from all initializations via Gradient Flow and Gradient Descent, given oracle access to the gradients, can we efficiently sample from the distribution using discrete-time Langevin Dynamics? We answer this question in the affirmative for distributions that are unimodal in a particular sense, at low but appropriate temperature levels natural in the context of both optimization and real-world applications, under mild regularity assumptions on the measure and the convergence rate of Gradient Flow. We do so by using the results of De Sa, Kale, Lee, Sekhari, and Sridharan (2022) that the success of optimization implies particular geometric properties involving a \textit{Lyapunov Potential}. These geometric properties from optimization in turn give us strong quantitative control over isoperimetric constants of the measure. As a corollary, we show we can efficiently sample from several new natural and interesting classes of non-log-concave densities, an important setting where we have relatively few examples. Another corollary is efficient discrete-time sampling results for log-concave measures satisfying milder regularity conditions than smoothness, results similar to the work of Lehec (2023).
Authors: Xinyu Zhang, Yuhan Liu, Haonan Chang, Liam Schramm, Abdeslam Boularias
Abstract: Designing a universal policy architecture that performs well across diverse robots and task configurations remains a key challenge. In this work, we address this by representing robot actions as sequential data and generating actions through autoregressive sequence modeling. Existing autoregressive architectures generate end-effector waypoints sequentially as word tokens in language modeling, which are limited to low-frequency control tasks. Unlike language, robot actions are heterogeneous and often include continuous values -- such as joint positions, 2D pixel coordinates, and end-effector poses -- which are not easily suited for language-based modeling. Based on this insight, we introduce a straightforward enhancement: we extend causal transformers' single-token prediction to support predicting a variable number of tokens in a single step through our Chunking Causal Transformer (CCT). This enhancement enables robust performance across diverse tasks of various control frequencies, greater efficiency by having fewer autoregression steps, and lead to a hybrid action sequence design by mixing different types of actions and using a different chunk size for each action type. Based on CCT, we propose the Autoregressive Policy (ARP) architecture, which solves manipulation tasks by generating hybrid action sequences. We evaluate ARP across diverse robotic manipulation environments, including Push-T, ALOHA, and RLBench, and show that ARP, as a universal architecture, outperforms the environment-specific state-of-the-art in all tested benchmarks, while being more efficient in computation and parameter sizes. Videos of our real robot demonstrations, all source code and the pretrained models of ARP can be found at http://github.com/mlzxy/arp.
Authors: Francisco M. Castro-Mac\'ias, Pablo Morales-\'Alvarez, Yunan Wu, Rafael Molina, Aggelos K. Katsaggelos
Abstract: Multiple Instance Learning (MIL) is widely used in medical imaging classification to reduce the labeling effort. While only bag labels are available for training, one typically seeks predictions at both bag and instance levels (classification and localization tasks, respectively). Early MIL methods treated the instances in a bag independently. Recent methods account for global and local dependencies among instances. Although they have yielded excellent results in classification, their performance in terms of localization is comparatively limited. We argue that these models have been designed to target the classification task, while implications at the instance level have not been deeply investigated. Motivated by a simple observation -- that neighboring instances are likely to have the same label -- we propose a novel, principled, and flexible mechanism to model local dependencies. It can be used alone or combined with any mechanism to model global dependencies (e.g., transformers). A thorough empirical validation shows that our module leads to state-of-the-art performance in localization while being competitive or superior in classification. Our code is at https://github.com/Franblueee/SmMIL.
Authors: Tianjian Li, Haoran Xu, Weiting Tan, Kenton Murray, Daniel Khashabi
Abstract: Data availability across domains often follows a long-tail distribution: a few domains have abundant data, while most face dat . a scarcity. This imbalance poses challenges in training language models uniformly across all domains. In our study, we focus on multilingual settings, where data sizes vary significantly between high- and low-resource languages. Common strategies to address this include upsampling low-resource languages (Temperature Sampling) or upweighting their loss (Scalarization). Although often considered equivalent, this assumption has not been proven, which motivates our study. Through both theoretical and empirical analysis, we identify the conditions under which these approaches are equivalent and when they diverge. Specifically, we demonstrate that these two methods are equivalent under full gradient descent, but this equivalence breaks down with stochastic gradient descent. Empirically, we observe that Temperature Sampling converges more quickly but is prone to overfitting. We argue that this faster convergence is likely due to the lower variance in gradient estimations, as shown theoretically. Based on these insights, we propose Cooldown, a strategy that reduces sampling temperature during training, accelerating convergence without overfitting to low-resource languages. Our method is competitive with existing data re-weighting and offers computational efficiency.
Authors: Sam Gunn, Xuandong Zhao, Dawn Song
Abstract: We present the first undetectable watermarking scheme for generative image models. Undetectability ensures that no efficient adversary can distinguish between watermarked and un-watermarked images, even after making many adaptive queries. In particular, an undetectable watermark does not degrade image quality under any efficiently computable metric. Our scheme works by selecting the initial latents of a diffusion model using a pseudorandom error-correcting code (Christ and Gunn, 2024), a strategy which guarantees undetectability and robustness. We experimentally demonstrate that our watermarks are quality-preserving and robust using Stable Diffusion 2.1. Our experiments verify that, in contrast to every prior scheme we tested, our watermark does not degrade image quality. Our experiments also demonstrate robustness: existing watermark removal attacks fail to remove our watermark from images without significantly degrading the quality of the images. Finally, we find that we can robustly encode 512 bits in our watermark, and up to 2500 bits when the images are not subjected to watermark removal attacks. Our code is available at https://github.com/XuandongZhao/PRC-Watermark.
Authors: Leonardo Sabattini, Annalisa Coriolano, Corneel Casert, Stiven Forti, Edward S. Barnard, Fabio Beltram, Massimiliano Pontil, Stephen Whitelam, Camilla Coletti, Antonio Rossi
Abstract: Two-dimensional (2D) materials are poised to revolutionize current solid-state technology with their extraordinary properties. Yet, the primary challenge remains their scalable production. While there have been significant advancements, much of the scientific progress has depended on the exfoliation of materials, a method that poses severe challenges for large-scale applications. With the advent of artificial intelligence (AI) in materials science, innovative synthesis methodologies are now on the horizon. This study explores the forefront of autonomous materials synthesis using an artificial neural network (ANN) trained by evolutionary methods, focusing on the efficient production of graphene. Our approach demonstrates that a neural network can iteratively and autonomously learn a time-dependent protocol for the efficient growth of graphene, without requiring pretraining on what constitutes an effective recipe. Evaluation criteria are based on the proximity of the Raman signature to that of monolayer graphene: higher scores are granted to outcomes whose spectrum more closely resembles that of an ideal continuous monolayer structure. This feedback mechanism allows for iterative refinement of the ANN's time-dependent synthesis protocols, progressively improving sample quality. Through the advancement and application of AI methodologies, this work makes a substantial contribution to the field of materials engineering, fostering a new era of innovation and efficiency in the synthesis process.
Authors: Sheng Yan, Cunhang fan, Hongyu Zhang, Xiaoke Yang, Jianhua Tao, Zhao Lv
Abstract: At a cocktail party, humans exhibit an impressive ability to direct their attention. The auditory attention detection (AAD) approach seeks to identify the attended speaker by analyzing brain signals, such as EEG signals. However, current AAD algorithms overlook the spatial distribution information within EEG signals and lack the ability to capture long-range latent dependencies, limiting the model's ability to decode brain activity. To address these issues, this paper proposes a dual attention refinement network with spatiotemporal construction for AAD, named DARNet, which consists of the spatiotemporal construction module, dual attention refinement module, and feature fusion \& classifier module. Specifically, the spatiotemporal construction module aims to construct more expressive spatiotemporal feature representations, by capturing the spatial distribution characteristics of EEG signals. The dual attention refinement module aims to extract different levels of temporal patterns in EEG signals and enhance the model's ability to capture long-range latent dependencies. The feature fusion \& classifier module aims to aggregate temporal patterns and dependencies from different levels and obtain the final classification results. The experimental results indicate that compared to the state-of-the-art models, DARNet achieves an average classification accuracy improvement of 5.9\% for 0.1s, 4.6\% for 1s, and 3.9\% for 2s on the DTU dataset. While maintaining excellent classification performance, DARNet significantly reduces the number of required parameters. Compared to the state-of-the-art models, DARNet reduces the parameter count by 91\%. Code is available at: https://github.com/fchest/DARNet.git.
Authors: Xiaohang Xu, Renhe Jiang, Chuang Yang, Zipei Fan, Kaoru Sezaki
Abstract: With the popularity of location-based services, human mobility prediction plays a key role in enhancing personalized navigation, optimizing recommendation systems, and facilitating urban mobility and planning. This involves predicting a user's next POI (point-of-interest) visit using their past visit history. However, the uneven distribution of visitations over time and space, namely the long-tail problem in spatial distribution, makes it difficult for AI models to predict those POIs that are less visited by humans. In light of this issue, we propose the Long-Tail Adjusted Next POI Prediction (LoTNext) framework for mobility prediction, combining a Long-Tailed Graph Adjustment module to reduce the impact of the long-tailed nodes in the user-POI interaction graph and a novel Long-Tailed Loss Adjustment module to adjust loss by logit score and sample weight adjustment strategy. Also, we employ the auxiliary prediction task to enhance generalization and accuracy. Our experiments with two real-world trajectory datasets demonstrate that LoTNext significantly surpasses existing state-of-the-art works. Our code is available at https://github.com/Yukayo/LoTNext.
Authors: Jonathan Brokman, Omer Hofman, Oren Rachmil, Inderjeet Singh, Vikas Pahuja, Rathina Sabapathy Aishvariya Priya, Amit Giloni, Roman Vainshtein, Hisashi Kojima
Abstract: This report presents a comparative analysis of open-source vulnerability scanners for conversational large language models (LLMs). As LLMs become integral to various applications, they also present potential attack surfaces, exposed to security risks such as information leakage and jailbreak attacks. Our study evaluates prominent scanners - Garak, Giskard, PyRIT, and CyberSecEval - that adapt red-teaming practices to expose these vulnerabilities. We detail the distinctive features and practical use of these scanners, outline unifying principles of their design and perform quantitative evaluations to compare them. These evaluations uncover significant reliability issues in detecting successful attacks, highlighting a fundamental gap for future development. Additionally, we contribute a preliminary labelled dataset, which serves as an initial step to bridge this gap. Based on the above, we provide strategic recommendations to assist organizations choose the most suitable scanner for their red-teaming needs, accounting for customizability, test suite comprehensiveness, and industry-specific use cases.
Authors: Zhaolin Ren, Runyu Zhang, Bo Dai, Na Li
Abstract: Network Markov Decision Processes (MDPs), a popular model for multi-agent control, pose a significant challenge to efficient learning due to the exponential growth of the global state-action space with the number of agents. In this work, utilizing the exponential decay property of network dynamics, we first derive scalable spectral local representations for network MDPs, which induces a network linear subspace for the local $Q$-function of each agent. Building on these local spectral representations, we design a scalable algorithmic framework for continuous state-action network MDPs, and provide end-to-end guarantees for the convergence of our algorithm. Empirically, we validate the effectiveness of our scalable representation-based approach on two benchmark problems, and demonstrate the advantages of our approach over generic function approximation approaches to representing the local $Q$-functions.
Authors: Serena Zhang, Sraavya Sambara, Oishi Banerjee, Julian Acosta, L. John Fahrner, Pranav Rajpurkar
Abstract: Generating accurate radiology reports from medical images is a clinically important but challenging task. While current Vision Language Models (VLMs) show promise, they are prone to generating hallucinations, potentially compromising patient care. We introduce RadFlag, a black-box method to enhance the accuracy of radiology report generation. Our method uses a sampling-based flagging technique to find hallucinatory generations that should be removed. We first sample multiple reports at varying temperatures and then use a Large Language Model (LLM) to identify claims that are not consistently supported across samples, indicating that the model has low confidence in those claims. Using a calibrated threshold, we flag a fraction of these claims as likely hallucinations, which should undergo extra review or be automatically rejected. Our method achieves high precision when identifying both individual hallucinatory sentences and reports that contain hallucinations. As an easy-to-use, black-box system that only requires access to a model's temperature parameter, RadFlag is compatible with a wide range of radiology report generation models and has the potential to broadly improve the quality of automated radiology reporting.
Authors: Zeyuan Ma, Hongshu Guo, Yue-Jiao Gong, Jun Zhang, Kay Chen Tan
Abstract: In this survey, we introduce Meta-Black-Box-Optimization~(MetaBBO) as an emerging avenue within the Evolutionary Computation~(EC) community, which incorporates Meta-learning approaches to assist automated algorithm design. Despite the success of MetaBBO, the current literature provides insufficient summaries of its key aspects and lacks practical guidance for implementation. To bridge this gap, we offer a comprehensive review of recent advances in MetaBBO, providing an in-depth examination of its key developments. We begin with a unified definition of the MetaBBO paradigm, followed by a systematic taxonomy of various algorithm design tasks, including algorithm selection, algorithm configuration, solution manipulation, and algorithm generation. Further, we conceptually summarize different learning methodologies behind current MetaBBO works, including reinforcement learning, supervised learning, neuroevolution, and in-context learning with Large Language Models. A comprehensive evaluation of the latest representative MetaBBO methods is then carried out, alongside an experimental analysis of their optimization performance, computational efficiency, and generalization ability. Based on the evaluation results, we meticulously identify a set of core designs that enhance the generalization and learning effectiveness of MetaBBO. Finally, we outline the vision for the field by providing insight into the latest trends and potential future directions. Relevant literature will be continuously collected and updated at \url{https://github.com/GMC-DRL/Awesome-MetaBBO}.
Authors: Yuanshao Zhu, James Jianqiao Yu, Xiangyu Zhao, Xuetao Wei, Yuxuan Liang
Abstract: Human trajectory modeling is essential for deciphering movement patterns and supporting advanced applications across various domains. However, existing methods are often tailored to specific tasks and regions, resulting in limitations related to task specificity, regional dependency, and data quality sensitivity. Addressing these challenges requires a universal human trajectory foundation model capable of generalizing and scaling across diverse tasks and geographic contexts. To this end, we propose UniTraj, a Universal human Trajectory foundation model that is task-adaptive, region-independent, and highly generalizable. To further enhance performance, we construct WorldTrace, the first large-scale, high-quality, globally distributed dataset sourced from open web platforms, encompassing 2.45 million trajectories with billions of points across 70 countries. Through multiple resampling and masking strategies designed for pre-training, UniTraj effectively overcomes geographic and task constraints, adapting to heterogeneous data quality. Extensive experiments across multiple trajectory analysis tasks and real-world datasets demonstrate that UniTraj consistently outperforms existing approaches in terms of scalability and adaptability. These results underscore the potential of UniTraj as a versatile, robust solution for a wide range of trajectory analysis applications, with WorldTrace serving as an ideal but non-exclusive foundation for training.
Authors: Yan Shuo Tan, Jason M. Klusowski, Krishnakumar Balasubramanian
Abstract: Models based on recursive adaptive partitioning such as decision trees and their ensembles are popular for high-dimensional regression as they can potentially avoid the curse of dimensionality. Because empirical risk minimization (ERM) is computationally infeasible, these models are typically trained using greedy algorithms. Although effective in many cases, these algorithms have been empirically observed to get stuck at local optima. We explore this phenomenon in the context of learning sparse regression functions over $d$ binary features, showing that when the true regression function $f^*$ does not satisfy Abbe et al. (2022)'s Merged Staircase Property (MSP), greedy training requires $\exp(\Omega(d))$ to achieve low estimation error. Conversely, when $f^*$ does satisfy MSP, greedy training can attain small estimation error with only $O(\log d)$ samples. This dichotomy mirrors that of two-layer neural networks trained with stochastic gradient descent (SGD) in the mean-field regime, thereby establishing a head-to-head comparison between SGD-trained neural networks and greedy recursive partitioning estimators. Furthermore, ERM-trained recursive partitioning estimators achieve low estimation error with $O(\log d)$ samples irrespective of whether $f^*$ satisfies MSP, thereby demonstrating a statistical-computational trade-off for greedy training. Our proofs are based on a novel interpretation of greedy recursive partitioning using stochastic process theory and a coupling technique that may be of independent interest.
Authors: Zijian Hu, Jipeng Zhang, Rui Pan, Zhaozhuo Xu, Shanshan Han, Han Jin, Alay Dilipbhai Shah, Dimitris Stripelis, Yuhang Yao, Salman Avestimehr, Chaoyang He, Tong Zhang
Abstract: We present Fox-1, a series of small language models (SLMs) consisting of Fox-1-1.6B and Fox-1-1.6B-Instruct-v0.1. These models are pre-trained on 3 trillion tokens of web-scraped document data and fine-tuned with 5 billion tokens of instruction-following and multi-turn conversation data. Aiming to improve the pre-training efficiency, Fox-1-1.6B model introduces a novel 3-stage data curriculum across all the training data with 2K-8K sequence length. In architecture design, Fox-1 features a deeper layer structure, an expanded vocabulary, and utilizes Grouped Query Attention (GQA), offering a performant and efficient architecture compared to other SLMs. Fox-1 achieves better or on-par performance in various benchmarks compared to StableLM-2-1.6B, Gemma-2B, Qwen1.5-1.8B, and OpenELM1.1B, with competitive inference speed and throughput. The model weights have been released under the Apache 2.0 license, where we aim to promote the democratization of LLMs and make them fully accessible to the whole open-source community.
Authors: Dawei Cheng, Yao Zou, Sheng Xiang, Changjun Jiang
Abstract: The landscape of financial transactions has grown increasingly complex due to the expansion of global economic integration and advancements in information technology. This complexity poses greater challenges in detecting and managing financial fraud. This review explores the role of Graph Neural Networks (GNNs) in addressing these challenges by proposing a unified framework that categorizes existing GNN methodologies applied to financial fraud detection. Specifically, by examining a series of detailed research questions, this review delves into the suitability of GNNs for financial fraud detection, their deployment in real-world scenarios, and the design considerations that enhance their effectiveness. This review reveals that GNNs are exceptionally adept at capturing complex relational patterns and dynamics within financial networks, significantly outperforming traditional fraud detection methods. Unlike previous surveys that often overlook the specific potentials of GNNs or address them only superficially, our review provides a comprehensive, structured analysis, distinctly focusing on the multifaceted applications and deployments of GNNs in financial fraud detection. This review not only highlights the potential of GNNs to improve fraud detection mechanisms but also identifies current gaps and outlines future research directions to enhance their deployment in financial systems. Through a structured review of over 100 studies, this review paper contributes to the understanding of GNN applications in financial fraud detection, offering insights into their adaptability and potential integration strategies.
Authors: Mallika Garg, Debashis Ghosh, Pyari Mohan Pradhan
Abstract: Transformer models have demonstrated remarkable success in many domains such as natural language processing (NLP) and computer vision. With the growing interest in transformer-based architectures, they are now utilized for gesture recognition. So, we also explore and devise a novel ConvMixFormer architecture for dynamic hand gestures. The transformers use quadratic scaling of the attention features with the sequential data, due to which these models are computationally complex and heavy. We have considered this drawback of the transformer and designed a resource-efficient model that replaces the self-attention in the transformer with the simple convolutional layer-based token mixer. The computational cost and the parameters used for the convolution-based mixer are comparatively less than the quadratic self-attention. Convolution-mixer helps the model capture the local spatial features that self-attention struggles to capture due to their sequential processing nature. Further, an efficient gate mechanism is employed instead of a conventional feed-forward network in the transformer to help the model control the flow of features within different stages of the proposed model. This design uses fewer learnable parameters which is nearly half the vanilla transformer that helps in fast and efficient training. The proposed method is evaluated on NVidia Dynamic Hand Gesture and Briareo datasets and our model has achieved state-of-the-art results on single and multimodal inputs. We have also shown the parameter efficiency of the proposed ConvMixFormer model compared to other methods. The source code is available at https://github.com/mallikagarg/ConvMixFormer.
Authors: Steven Jens Jorgensen, Ravi Bhadeshiya
Abstract: We present an approach for retartgeting off-the-shelf Virtual Reality (VR) trackers to effectively teleoperate an upper-body humanoid while ensuring self-collision-free motions. Key to the effectiveness was the proper assignment of trackers to joint sets via modified task Jacobians and relaxed barrier functions for self-collision avoidance. The approach was validated on Apptronik's Astro hardware by demonstrating manipulation capabilities on a table-top environment with pick-and-place box packing and a two-handed box pick up and handover task.
Authors: Federico P. Cortese, Antonio Pievatolo
Abstract: Thermal comfort is essential for well-being in urban spaces, especially as cities face increasing heat from urbanization and climate change. Existing thermal comfort models usually overlook temporal dynamics alongside spatial dependencies. We address this problem by introducing a spatio-temporal jump model that clusters data with persistence across both spatial and temporal dimensions. This framework enhances interpretability, minimizes abrupt state changes, and easily handles missing data. We validate our approach through extensive simulations, demonstrating its accuracy in recovering the true underlying partition. When applied to hourly environmental data gathered from a set of weather stations located across the city of Singapore, our proposal identifies meaningful thermal comfort regimes, demonstrating its effectiveness in dynamic urban settings and suitability for real-world monitoring. The comparison of these regimes with feedback on thermal preference indicates the potential of an unsupervised approach to avoid extensive surveys.
Authors: Gerardo Duran-Martin, Leandro S\'anchez-Betancourt, Alexander Y. Shestopaloff, Kevin Murphy
Abstract: We propose a unifying framework for methods that perform Bayesian online learning in non-stationary environments. We call the framework BONE, which stands for (B)ayesian (O)nline learning in (N)on-stationary (E)nvironments. BONE provides a common structure to tackle a variety of problems, including online continual learning, prequential forecasting, and contextual bandits. The framework requires specifying three modelling choices: (i) a model for measurements (e.g., a neural network), (ii) an auxiliary process to model non-stationarity (e.g., the time since the last changepoint), and (iii) a conditional prior over model parameters (e.g., a multivariate Gaussian). The framework also requires two algorithmic choices, which we use to carry out approximate inference under this framework: (i) an algorithm to estimate beliefs (posterior distribution) about the model parameters given the auxiliary variable, and (ii) an algorithm to estimate beliefs about the auxiliary variable. We show how this modularity allows us to write many different existing methods as instances of BONE; we also use this framework to propose a new method. We then experimentally compare existing methods with our proposed new method on several datasets; we provide insights into the situations that make one method more suitable than another for a given task.