Authors: Safa Ben Atitallah, Chaima Ben Rabah, Maha Driss, Wadii Boulila, Anis Koubaa
Abstract: The abundance of complex and interconnected healthcare data offers numerous opportunities to improve prediction, diagnosis, and treatment. Graph-structured data, which includes entities and their relationships, is well-suited for capturing complex connections. Effectively utilizing this data often requires strong and efficient learning algorithms, especially when dealing with limited labeled data. It is increasingly important for downstream tasks in various domains to utilize self-supervised learning (SSL) as a paradigm for learning and optimizing effective representations from unlabeled data. In this paper, we thoroughly review SSL approaches specifically designed for graph-structured data in healthcare applications. We explore the challenges and opportunities associated with healthcare data and assess the effectiveness of SSL techniques in real-world healthcare applications. Our discussion encompasses various healthcare settings, such as disease prediction, medical image analysis, and drug discovery. We critically evaluate the performance of different SSL methods across these tasks, highlighting their strengths, limitations, and potential future research directions. Ultimately, this review aims to be a valuable resource for both researchers and practitioners looking to utilize SSL for graph-structured data in healthcare, paving the way for improved outcomes and insights in this critical field. To the best of our knowledge, this work represents the first comprehensive review of the literature on SSL applied to graph data in healthcare.
Authors: Guilherme G. D. Fernandes, Vitor S. P. P. Oliveira, Jo\~ao P. I. Astolfo
Abstract: The mapping of ocean floor layers is a current challenge for the oil industry. Existing solution methods involve mapping through seismic methods and wave inversion, which are complex and computationally expensive. The introduction of artificial neural networks, specifically UNet, to predict velocity models based on seismic shots reflected from the ocean floor shows promise for optimising this process. In this study, two neural network architectures are validated for velocity model inversion and compared in terms of stability metrics such as loss function and similarity coefficient, as well as the differences between predicted and actual models. Indeed, neural networks prove promising as a solution to this challenge, achieving S{\o}rensen-Dice coefficient values above 70%.
Authors: Zhejun Zhang, Peter Karkus, Maximilian Igl, Wenhao Ding, Yuxiao Chen, Boris Ivanovic, Marco Pavone
Abstract: Traffic simulation aims to learn a policy for traffic agents that, when unrolled in closed-loop, faithfully recovers the joint distribution of trajectories observed in the real world. Inspired by large language models, tokenized multi-agent policies have recently become the state-of-the-art in traffic simulation. However, they are typically trained through open-loop behavior cloning, and thus suffer from covariate shift when executed in closed-loop during simulation. In this work, we present Closest Among Top-K (CAT-K) rollouts, a simple yet effective closed-loop fine-tuning strategy to mitigate covariate shift. CAT-K fine-tuning only requires existing trajectory data, without reinforcement learning or generative adversarial imitation. Concretely, CAT-K fine-tuning enables a small 7M-parameter tokenized traffic simulation policy to outperform a 102M-parameter model from the same model family, achieving the top spot on the Waymo Sim Agent Challenge leaderboard at the time of submission. The code is available at https://github.com/NVlabs/catk.
Authors: An\'ibal Silva, Andr\'e Restivo, Mois\'es Santos, Carlos Soares
Abstract: Generative modeling for tabular data has recently gained significant attention in the Deep Learning domain. Its objective is to estimate the underlying distribution of the data. However, estimating the underlying distribution of tabular data has its unique challenges. Specifically, this data modality is composed of mixed types of features, making it a non-trivial task for a model to learn intra-relationships between them. One approach to address mixture is to embed each feature into a continuous matrix via tokenization, while a solution to capture intra-relationships between variables is via the transformer architecture. In this work, we empirically investigate the potential of using embedding representations on tabular data generation, utilizing tensor contraction layers and transformers to model the underlying distribution of tabular data within Variational Autoencoders. Specifically, we compare four architectural approaches: a baseline VAE model, two variants that focus on tensor contraction layers and transformers respectively, and a hybrid model that integrates both techniques. Our empirical study, conducted across multiple datasets from the OpenML CC18 suite, compares models over density estimation and Machine Learning efficiency metrics. The main takeaway from our results is that leveraging embedding representations with the help of tensor contraction layers improves density estimation metrics, albeit maintaining competitive performance in terms of machine learning efficiency.
Authors: Jinwei Tang (Katie), Jiayin Qin (Katie), Kiran Thorat (Katie), Chen Zhu-Tian (Katie), Yu Cao (Katie), Yang (Katie), Zhao, Caiwen Ding
Abstract: With Large Language Models (LLMs) recently demonstrating impressive proficiency in code generation, it is promising to extend their abilities to Hardware Description Language (HDL). However, LLMs tend to generate single HDL code blocks rather than hierarchical structures for hardware designs, leading to hallucinations, particularly in complex designs like Domain-Specific Accelerators (DSAs). To address this, we propose HiVeGen, a hierarchical LLM-based Verilog generation framework that decomposes generation tasks into LLM-manageable hierarchical submodules. HiVeGen further harnesses the advantages of such hierarchical structures by integrating automatic Design Space Exploration (DSE) into hierarchy-aware prompt generation, introducing weight-based retrieval to enhance code reuse, and enabling real-time human-computer interaction to lower error-correction cost, significantly improving the quality of generated designs.
Authors: Benjamin S. Ruben, William L. Tong, Hamza Tahir Chaudhry, Cengiz Pehlevan
Abstract: Given a budget on total model size, one must decide whether to train a single, large neural network or to combine the predictions of many smaller networks. We study this trade-off for ensembles of random-feature ridge regression models. We prove that when a fixed number of trainable parameters are partitioned among $K$ independently trained models, $K=1$ achieves optimal performance, provided the ridge parameter is optimally tuned. We then derive scaling laws which describe how the test risk of an ensemble of regression models decays with its total size. We identify conditions on the kernel and task eigenstructure under which ensembles can achieve near-optimal scaling laws. Training ensembles of deep convolutional neural networks on CIFAR-10 and a transformer architecture on C4, we find that a single large network outperforms any ensemble of networks with the same total number of parameters, provided the weight decay and feature-learning strength are tuned to their optimal values.
Authors: Zhenkai Qin, Baozhong Wei, Caifeng Gao, Jianyuan Ni
Abstract: Time series forecasting is a critical task in domains such as energy, finance, and meteorology, where accurate long-term predictions are essential. While Transformer-based models have shown promise in capturing temporal dependencies, their application to extended sequences is limited by computational inefficiencies and limited generalization. In this study, we propose KEDformer, a knowledge extraction-driven framework that integrates seasonal-trend decomposition to address these challenges. KEDformer leverages knowledge extraction methods that focus on the most informative weights within the self-attention mechanism to reduce computational overhead. Additionally, the proposed KEDformer framework decouples time series into seasonal and trend components. This decomposition enhances the model's ability to capture both short-term fluctuations and long-term patterns. Extensive experiments on five public datasets from energy, transportation, and weather domains demonstrate the effectiveness and competitiveness of KEDformer, providing an efficient solution for long-term time series forecasting.
Authors: Aman Patel, Arpita Singhal, Austin Wang, Anusri Pampari, Maya Kasowski, Anshul Kundaje
Abstract: Recent advances in self-supervised models for natural language, vision, and protein sequences have inspired the development of large genomic DNA language models (DNALMs). These models aim to learn generalizable representations of diverse DNA elements, potentially enabling various genomic prediction, interpretation and design tasks. Despite their potential, existing benchmarks do not adequately assess the capabilities of DNALMs on key downstream applications involving an important class of non-coding DNA elements critical for regulating gene activity. In this study, we introduce DART-Eval, a suite of representative benchmarks specifically focused on regulatory DNA to evaluate model performance across zero-shot, probed, and fine-tuned scenarios against contemporary ab initio models as baselines. Our benchmarks target biologically meaningful downstream tasks such as functional sequence feature discovery, predicting cell-type specific regulatory activity, and counterfactual prediction of the impacts of genetic variants. We find that current DNALMs exhibit inconsistent performance and do not offer compelling gains over alternative baseline models for most tasks, while requiring significantly more computational resources. We discuss potentially promising modeling, data curation, and evaluation strategies for the next generation of DNALMs. Our code is available at https://github.com/kundajelab/DART-Eval.
Authors: M. A. Ganaie, Vrushank Ahire, Anouck Girard
Abstract: This paper introduces the Granular Ball K-Class Twin Support Vector Classifier (GB-TWKSVC), a novel multi-class classification framework that combines Twin Support Vector Machines (TWSVM) with granular ball computing. The proposed method addresses key challenges in multi-class classification by utilizing granular ball representation for improved noise robustness and TWSVM's non-parallel hyperplane architecture solves two smaller quadratic programming problems, enhancing efficiency. Our approach introduces a novel formulation that effectively handles multi-class scenarios, advancing traditional binary classification methods. Experimental evaluation on diverse benchmark datasets shows that GB-TWKSVC significantly outperforms current state-of-the-art classifiers in both accuracy and computational performance. The method's effectiveness is validated through comprehensive statistical tests and complexity analysis. Our work advances classification algorithms by providing a mathematically sound framework that addresses the scalability and robustness needs of modern machine learning applications. The results demonstrate GB-TWKSVC's broad applicability across domains including pattern recognition, fault diagnosis, and large-scale data analytics, establishing it as a valuable addition to the classification algorithm landscape.
Authors: Savini Kashmira, Jayanaka L. Dantanarayana, Joshua Brodsky, Ashish Mahendra, Yiping Kang, Krisztian Flautner, Lingjia Tang, Jason Mars
Abstract: TOBU is a novel mobile application that captures and retrieves `personal memories' (pictures/videos together with stories and context around those moments) in a user-engaging AI-guided conversational approach. Our initial prototype showed that existing retrieval techniques such as retrieval-augmented generation (RAG) systems fall short due to their limitations in understanding memory relationships, causing low recall, hallucination, and unsatisfactory user experience. We design TOBUGraph, a novel graph-based retrieval approach. During capturing, TOBUGraph leverages large language models (LLMs) to automatically create a dynamic knowledge graph of memories, establishing context and relationships of those memories. During retrieval, TOBUGraph combines LLMs with the memory graph to achieve comprehensive recall through graph traversal. Our evaluation using real user data demonstrates that TOBUGraph outperforms multiple RAG implementations in both precision and recall, significantly improving user experience through improved retrieval accuracy and reduced hallucination.
Authors: Abdulrahman Kerim, Leandro Soriano Marcolino, Erickson R. Nascimento, Richard Jiang
Abstract: Supervised machine learning methods require large-scale training datasets to perform well in practice. Synthetic data has been showing great progress recently and has been used as a complement to real data. However, there is yet a great urge to assess the usability of synthetically generated data. To this end, we propose a novel UCB-based training procedure combined with a dynamic usability metric. Our proposed metric integrates low-level and high-level information from synthetic images and their corresponding real and synthetic datasets, surpassing existing traditional metrics. By utilizing a UCB-based dynamic approach ensures continual enhancement of model learning. Unlike other approaches, our method effectively adapts to changes in the machine learning model's state and considers the evolving utility of training samples during the training process. We show that our metric is an effective way to rank synthetic images based on their usability. Furthermore, we propose a new attribute-aware bandit pipeline for generating synthetic data by integrating a Large Language Model with Stable Diffusion. Quantitative results show that our approach can boost the performance of a wide range of supervised classifiers. Notably, we observed an improvement of up to 10% in classification accuracy compared to traditional approaches, demonstrating the effectiveness of our approach. Our source code, datasets, and additional materials are publically available at https://github.com/A-Kerim/Synthetic-Data-Usability-2024.
URLs: https://github.com/A-Kerim/Synthetic-Data-Usability-2024.
Authors: Thibault Le Sellier De Chezelles, Maxime Gasse, Alexandre Lacoste, Alexandre Drouin, Massimo Caccia, L\'eo Boisvert, Megh Thakkar, Tom Marty, Rim Assouel, Sahar Omidi Shayegan, Lawrence Keunho Jang, Xing Han L\`u, Ori Yoran, Dehan Kong, Frank F. Xu, Siva Reddy, Quentin Cappart, Graham Neubig, Ruslan Salakhutdinov, Nicolas Chapados
Abstract: The BrowserGym ecosystem addresses the growing need for efficient evaluation and benchmarking of web agents, particularly those leveraging automation and Large Language Models (LLMs) for web interaction tasks. Many existing benchmarks suffer from fragmentation and inconsistent evaluation methodologies, making it challenging to achieve reliable comparisons and reproducible results. BrowserGym aims to solve this by providing a unified, gym-like environment with well-defined observation and action spaces, facilitating standardized evaluation across diverse benchmarks. Combined with AgentLab, a complementary framework that aids in agent creation, testing, and analysis, BrowserGym offers flexibility for integrating new benchmarks while ensuring consistent evaluation and comprehensive experiment management. This standardized approach seeks to reduce the time and complexity of developing web agents, supporting more reliable comparisons and facilitating in-depth analysis of agent behaviors, and could result in more adaptable, capable agents, ultimately accelerating innovation in LLM-driven automation. As a supporting evidence, we conduct the first large-scale, multi-benchmark web agent experiment and compare the performance of 6 state-of-the-art LLMs across all benchmarks currently available in BrowserGym. Among other findings, our results highlight a large discrepancy between OpenAI and Anthropic's latests models, with Claude-3.5-Sonnet leading the way on almost all benchmarks, except on vision-related tasks where GPT-4o is superior. Despite these advancements, our results emphasize that building robust and efficient web agents remains a significant challenge, due to the inherent complexity of real-world web environments and the limitations of current models.
Authors: Subhojyoti Mukherjee, Anusha Lalitha, Sailik Sengupta, Aniket Deshmukh, Branislav Kveton
Abstract: Multi-objective alignment from human feedback (MOAHF) in large language models (LLMs) is a challenging problem as human preferences are complex, multifaceted, and often conflicting. Recent works on MOAHF considered a-priori multi-objective optimization (MOO), where human preferences are known at training or inference time. In contrast, when human preferences are unknown or difficult to quantify, a natural approach is to cover the Pareto front by multiple diverse solutions. We propose an algorithm HaM for learning diverse LLM policies that maximizes their hypervolume. This is the first application of a-posteriori MOO to MOAHF. HaM is computationally and space efficient, and empirically superior across objectives such as harmlessness, helpfulness, humor, faithfulness, and hallucination, on various datasets.
Authors: Dongeon Lee, Sunwoong Yang, Jae-Won Oh, Su-Gil Cho, Sanghyuk Kim, Namwoo Kang
Abstract: Environmental pollution and the depletion of fossil fuels have prompted the need for eco-friendly power generation methods based on renewable energy. However, renewable energy sources often face challenges in providing stable power due to low energy density and non-stationary. Wave energy converters (WECs), in particular, need reliable real-time wave height prediction to address these issues caused by irregular wave patterns, which can lead to the inefficient and unstable operation of WECs. In this study, we propose an AI-powered reliable real-time wave height prediction model, aiming both high predictive accuracy and reliable uncertainty quantification (UQ). The proposed architecture LSTM-DE, integrates long short-term memory (LSTM) networks for temporal prediction with deep ensemble (DE) for robust UQ, achieving accuracy and reliability in wave height prediction. To further enhance the reliability of the predictive models, uncertainty calibration is applied, which has proven to significantly improve the quality of the quantified uncertainty. Based on the real operational data obtained from an oscillating water column-wave energy converter (OWC-WEC) system in Jeju, South Korea, we demonstrate that the proposed LSTM-DE model architecture achieves notable predictive accuracy (R2 > 0.9) while increasing the uncertainty quality by over 50% through simple calibration technique. Furthermore, a comprehensive parametric study is conducted to explore the effects of key model hyperparameters, offering valuable guidelines for diverse operational scenarios, characterized by differences in wavelength, amplitude, and period. The findings show that the proposed method provides robust and reliable real-time wave height predictions, facilitating digital twin of the ocean.
Authors: Juechu Dong, Boyuan Feng, Driss Guessous, Yanbo Liang, Horace He
Abstract: Over the past 7 years, attention has become one of the most important primitives in deep learning. The primary approach to optimize attention is FlashAttention, which fuses the operation together, drastically improving both the runtime and the memory consumption. However, the importance of FlashAttention combined with its monolithic nature poses a problem for researchers aiming to try new attention variants -- a "software lottery". This problem is exacerbated by the difficulty of writing efficient fused attention kernels, resisting traditional compiler-based approaches. We introduce FlexAttention, a novel compiler-driven programming model that allows implementing the majority of attention variants in a few lines of idiomatic PyTorch code. We demonstrate that many existing attention variants (e.g. Alibi, Document Masking, PagedAttention, etc.) can be implemented via FlexAttention, and that we achieve competitive performance compared to these handwritten kernels. Finally, we demonstrate how FlexAttention allows for easy composition of attention variants, solving the combinatorial explosion of attention variants.
Authors: Pengyu Li, Zhijie Zhong, Tong Zhang, Zhiwen Yu, C. L. Philip Chen, Kaixiang Yang
Abstract: Time series anomaly detection (TSAD) has been a research hotspot in both academia and industry in recent years. Deep learning methods have become the mainstream research direction due to their excellent performance. However, new viewpoints have emerged in recent TSAD research. Deep learning is not required for TSAD due to limitations such as slow deep learning speed. The Broad Learning System (BLS) is a shallow network framework that benefits from its ease of optimization and speed. It has been shown to outperform machine learning approaches while remaining competitive with deep learning. Based on the current situation of TSAD, we propose the Contrastive Patch-based Broad Learning System (CPatchBLS). This is a new exploration of patching technique and BLS, providing a new perspective for TSAD. We construct Dual-PatchBLS as a base through patching and Simple Kernel Perturbation (SKP) and utilize contrastive learning to capture the differences between normal and abnormal data under different representations. To compensate for the temporal semantic loss caused by various patching, we propose CPatchBLS with model level integration, which takes advantage of BLS's fast feature to build model-level integration and improve model detection. Using five real-world series anomaly detection datasets, we confirmed the method's efficacy, outperforming previous deep learning and machine learning methods while retaining a high level of computing efficiency.
Authors: Jianan Chen, Qin Hu, Fangtian Zhong, Yan Zhuang, Minghui Xu
Abstract: In Federated Learning (FL), multiple clients collaboratively train a model without sharing raw data. This paradigm can be further enhanced by Differential Privacy (DP) to protect local data from information inference attacks and is thus termed DPFL. An emerging privacy requirement, ``the right to be forgotten'' for clients, poses new challenges to DPFL but remains largely unexplored. Despite numerous studies on federated unlearning (FU), they are inapplicable to DPFL because the noise introduced by the DP mechanism compromises their effectiveness and efficiency. In this paper, we propose Federated Unlearning with Indistinguishability (FUI) to unlearn the local data of a target client in DPFL for the first time. FUI consists of two main steps: local model retraction and global noise calibration, resulting in an unlearning model that is statistically indistinguishable from the retrained model. Specifically, we demonstrate that the noise added in DPFL can endow the unlearning model with a certain level of indistinguishability after local model retraction, and then fortify the degree of unlearning through global noise calibration. Additionally, for the efficient and consistent implementation of the proposed FUI, we formulate a two-stage Stackelberg game to derive optimal unlearning strategies for both the server and the target client. Privacy and convergence analyses confirm theoretical guarantees, while experimental results based on four real-world datasets illustrate that our proposed FUI achieves superior model performance and higher efficiency compared to mainstream FU schemes. Simulation results further verify the optimality of the derived unlearning strategies.
Authors: Ali Dadsetan, Dorsa Soleymani, Xijie Zeng, Frank Rudzicz
Abstract: Protecting patient data privacy is a critical concern when deploying machine learning algorithms in healthcare. Differential privacy (DP) is a common method for preserving privacy in such settings and, in this work, we examine two key trade-offs in applying DP to the NLP task of medical coding (ICD classification). Regarding the privacy-utility trade-off, we observe a significant performance drop in the privacy preserving models, with more than a 40% reduction in micro F1 scores on the top 50 labels in the MIMIC-III dataset. From the perspective of the privacy-fairness trade-off, we also observe an increase of over 3% in the recall gap between male and female patients in the DP models. Further understanding these trade-offs will help towards the challenges of real-world deployment.
Authors: Haiyang Jiang, Tong Chen, Wentao Zhang, Nguyen Quoc Viet Hung, Yuan Yuan, Yong Li, Lizhen Cui
Abstract: Urban flow prediction is a classic spatial-temporal forecasting task that estimates the amount of future traffic flow for a given location. Though models represented by Spatial-Temporal Graph Neural Networks (STGNNs) have established themselves as capable predictors, they tend to suffer from distribution shifts that are common with the urban flow data due to the dynamics and unpredictability of spatial-temporal events. Unfortunately, in spatial-temporal applications, the dynamic environments can hardly be quantified via a fixed number of parameters, whereas learning time- and location-specific environments can quickly become computationally prohibitive. In this paper, we propose a novel framework named Memory-enhanced Invariant Prompt learning (MIP) for urban flow prediction under constant distribution shifts. Specifically, MIP is equipped with a learnable memory bank that is trained to memorize the causal features within the spatial-temporal graph. By querying a trainable memory bank that stores the causal features, we adaptively extract invariant and variant prompts (i.e., patterns) for a given location at every time step. Then, instead of intervening the raw data based on simulated environments, we directly perform intervention on variant prompts across space and time. With the intervened variant prompts in place, we use invariant learning to minimize the variance of predictions, so as to ensure that the predictions are only made with invariant features. With extensive comparative experiments on two public urban flow datasets, we thoroughly demonstrate the robustness of MIP against OOD data.
Authors: Xianliang Xu, Ye Li, Zhongyi Huang
Abstract: Neural operators are aiming at approximating operators mapping between Banach spaces of functions, achieving much success in the field of scientific computing. Compared to certain deep learning-based solvers, such as Physics-Informed Neural Networks (PINNs), Deep Ritz Method (DRM), neural operators can solve a class of Partial Differential Equations (PDEs). Although much work has been done to analyze the approximation and generalization error of neural operators, there is still a lack of analysis on their training error. In this work, we conduct the convergence analysis of gradient descent for the wide shallow neural operators within the framework of Neural Tangent Kernel (NTK). The core idea lies on the fact that over-parameterization and random initialization together ensure that each weight vector remains near its initialization throughout all iterations, yielding the linear convergence of gradient descent. In this work, we demonstrate that under the setting of over-parametrization, gradient descent can find the global minimum regardless of whether it is in continuous time or discrete time.
Authors: Kangjie Zheng, Siyue Liang, Junwei Yang, Bin Feng, Zequn Liu, Wei Ju, Zhiping Xiao, Ming Zhang
Abstract: SMILES, a crucial textual representation of molecular structures, has garnered significant attention as a foundation for pre-trained language models (LMs). However, most existing pre-trained SMILES LMs focus solely on the single-token level supervision during pre-training, failing to fully leverage the substructural information of molecules. This limitation makes the pre-training task overly simplistic, preventing the models from capturing richer molecular semantic information. Moreover, during pre-training, these SMILES LMs only process corrupted SMILES inputs, never encountering any valid SMILES, which leads to a train-inference mismatch. To address these challenges, we propose SMI-Editor, a novel edit-based pre-trained SMILES LM. SMI-Editor disrupts substructures within a molecule at random and feeds the resulting SMILES back into the model, which then attempts to restore the original SMILES through an editing process. This approach not only introduces fragment-level training signals, but also enables the use of valid SMILES as inputs, allowing the model to learn how to reconstruct complete molecules from these incomplete structures. As a result, the model demonstrates improved scalability and an enhanced ability to capture fragment-level molecular information. Experimental results show that SMI-Editor achieves state-of-the-art performance across multiple downstream molecular tasks, and even outperforming several 3D molecular representation models.
Authors: Ehsan Haghighat, Mohammad Hesan Adeli, S Mohammad Mousavi, Ruben Juanes
Abstract: In this work, we develop a novel neural operator, the Solute Transport Operator Network (STONet), to efficiently model contaminant transport in micro-cracked reservoirs. The model combines different networks to encode heterogeneous properties effectively. By predicting the concentration rate, we are able to accurately model the transport process. Numerical experiments demonstrate that our neural operator approach achieves accuracy comparable to that of the finite element method. The previously introduced Enriched DeepONet architecture has been revised, motivated by the architecture of the popular multi-head attention of transformers, to improve its performance without increasing the compute cost. The computational efficiency of the proposed model enables rapid and accurate predictions of solute transport, facilitating the optimization of reservoir management strategies and the assessment of environmental impacts. The data and code for the paper will be published at https://github.com/ehsanhaghighat/STONet.
Authors: Atit Pokharel, Shashank Dahal, Pratik Sapkota, Bhupendra Bimal Chhetri
Abstract: The rapid advancements in Artificial Intelligence, specifically Machine Learning (ML) and Deep Learning (DL), have opened new prospects in medical sciences for improved diagnosis, prognosis, and treatment of severe health conditions. This paper focuses on the development of an ML model with high predictive accuracy to classify arrhythmic electrocardiogram (ECG) signals. The ECG signals datasets utilized in this study were sourced from the PhysioNet and MIT-BIH databases. The research commenced with binary classification, where an optimized Bidirectional Long Short-Term Memory (Bi-LSTM) model yielded excellent results in differentiating normal and atrial fibrillation signals. A pivotal aspect of this research was a survey among medical professionals, which not only validated the practicality of AI-based ECG classifiers but also identified areas for improvement, including accuracy and the inclusion of more arrhythmia types. These insights drove the development of an advanced Convolutional Neural Network (CNN) system capable of classifying five different types of ECG signals with better accuracy and precision. The CNN model's robust performance was ensured through rigorous stratified 5-fold cross validation. A web portal was also developed to demonstrate real-world utility, offering access to the trained model for real-time classification. This study highlights the potential applications of such models in remote health monitoring, predictive healthcare, assistive diagnostic tools, and simulated environments for educational training and interdisciplinary collaboration between data scientists and medical personnel.
Authors: Sam Griesemer, Defu Cao, Zijun Cui, Carolina Osorio, Yan Liu
Abstract: Computer simulations have long presented the exciting possibility of scientific insight into complex real-world processes. Despite the power of modern computing, however, it remains challenging to systematically perform inference under simulation models. This has led to the rise of simulation-based inference (SBI), a class of machine learning-enabled techniques for approaching inverse problems with stochastic simulators. Many such methods, however, require large numbers of simulation samples and face difficulty scaling to high-dimensional settings, often making inference prohibitive under resource-intensive simulators. To mitigate these drawbacks, we introduce active sequential neural posterior estimation (ASNPE). ASNPE brings an active learning scheme into the inference loop to estimate the utility of simulation parameter candidates to the underlying probabilistic model. The proposed acquisition scheme is easily integrated into existing posterior estimation pipelines, allowing for improved sample efficiency with low computational overhead. We further demonstrate the effectiveness of the proposed method in the travel demand calibration setting, a high-dimensional inverse problem commonly requiring computationally expensive traffic simulators. Our method outperforms well-tuned benchmarks and state-of-the-art posterior estimation methods on a large-scale real-world traffic network, as well as demonstrates a performance advantage over non-active counterparts on a suite of SBI benchmark environments.
Authors: Md. Tanvir Alam, Chowdhury Farhan Ahmed, Carson K. Leung
Abstract: Hypergraph is a data structure that enables us to model higher-order associations among data entities. Conventional graph-structured data can represent pairwise relationships only, whereas hypergraph enables us to associate any number of entities, which is essential in many real-life applications. Hypergraph learning algorithms have been well-studied for numerous problem settings, such as node classification, link prediction, etc. However, much less research has been conducted on anomaly detection from hypergraphs. Anomaly detection identifies events that deviate from the usual pattern and can be applied to hypergraphs to detect unusual higher-order associations. In this work, we propose an end-to-end hypergraph neural network-based model for identifying anomalous associations in a hypergraph. Our proposed algorithm operates in an unsupervised manner without requiring any labeled data. Extensive experimentation on several real-life datasets demonstrates the effectiveness of our model in detecting anomalous hyperedges.
Authors: Sunwoong Yang, Ricardo Vinuesa, Namwoo Kang
Abstract: This study addresses the critical challenge of error accumulation in spatio-temporal auto-regressive predictions within scientific machine learning models by introducing innovative temporal integration schemes and adaptive multi-step rollout strategies. We present a comprehensive analysis of time integration methods, highlighting the adaptation of the two-step Adams-Bashforth scheme to enhance long-term prediction robustness in auto-regressive models. Additionally, we improve temporal prediction accuracy through a multi-step rollout strategy that incorporates multiple future time steps during training, supported by three newly proposed approaches that dynamically adjust the importance of each future step. By integrating the Adams-Bashforth scheme with adaptive multi-step strategies, our graph neural network-based auto-regressive model accurately predicts 350 future time steps, even under practical constraints such as limited training data and minimal model capacity -- achieving an error of only 1.6% compared to the vanilla auto-regressive approach. Moreover, our framework demonstrates an 83% improvement in rollout performance over the standard noise injection method, a standard technique for enhancing long-term rollout performance. Its effectiveness is further validated in more challenging scenarios with truncated meshes, showcasing its adaptability and robustness in practical applications. This work introduces a versatile framework for robust long-term spatio-temporal auto-regressive predictions, effectively mitigating error accumulation across various model types and engineering discipline.
Authors: Qi Li, Shuliang Wang
Abstract: Clustering and outlier detection are two important tasks in data mining. Outliers frequently interfere with clustering algorithms to determine the similarity between objects, resulting in unreliable clustering results. Currently, only a few clustering algorithms (e.g., DBSCAN) have the ability to detect outliers to eliminate interference. For other clustering algorithms, it is tedious to introduce another outlier detection task to eliminate outliers before each clustering process. Obviously, how to equip more clustering algorithms with outlier detection ability is very meaningful. Although a common strategy allows clustering algorithms to detect outliers based on the distance between objects and clusters, it is contradictory to improving the performance of clustering algorithms on the datasets with outliers. In this paper, we propose a novel outlier detection approach, called ODAR, for clustering. ODAR maps outliers and normal objects into two separated clusters by feature transformation. As a result, any clustering algorithm can detect outliers by identifying clusters. Experiments show that ODAR is robust to diverse datasets. Compared with baseline methods, the clustering algorithms achieve the best on 7 out of 10 datasets with the help of ODAR, with at least 5% improvement in accuracy.
Authors: Kehan Wen, Yutong Hu, Yao Mu, Lei Ke
Abstract: Recent work in Offline Reinforcement Learning (RL) has shown that a unified Transformer trained under a masked auto-encoding objective can effectively capture the relationships between different modalities (e.g., states, actions, rewards) within given trajectory datasets. However, this information has not been fully exploited during the inference phase, where the agent needs to generate an optimal policy instead of just reconstructing masked components from unmasked ones. Given that a pretrained trajectory model can act as both a Policy Model and a World Model with appropriate mask patterns, we propose using Model Predictive Control (MPC) at test time to leverage the model's own predictive capability to guide its action selection. Empirical results on D4RL and RoboMimic show that our inference-phase MPC significantly improves the decision-making performance of a pretrained trajectory model without any additional parameter training. Furthermore, our framework can be adapted to Offline to Online (O2O) RL and Goal Reaching RL, resulting in more substantial performance gains when an additional online interaction budget is provided, and better generalization capabilities when different task targets are specified. Code is available: https://github.com/wkh923/m3pc.
Authors: Zohair Shafi, Germans Savcisens, Tina Eliassi-Rad
Abstract: Machine learning models for graphs in real-world applications are prone to two primary types of uncertainty: (1) those that arise from incomplete and noisy data and (2) those that arise from uncertainty of the model in its output. These sources of uncertainty are not mutually exclusive. Additionally, models are susceptible to targeted adversarial attacks, which exacerbate both of these uncertainties. In this work, we introduce Radius Enhanced Graph Embeddings (REGE), an approach that measures and incorporates uncertainty in data to produce graph embeddings with radius values that represent the uncertainty of the model's output. REGE employs curriculum learning to incorporate data uncertainty and conformal learning to address the uncertainty in the model's output. In our experiments, we show that REGE's graph embeddings perform better under adversarial attacks by an average of 1.5% (accuracy) against state-of-the-art methods.
Authors: Miles Hutson, Isaac Kauvar, Nick Haber
Abstract: Model-based reinforcement learning (MBRL) is a promising route to sample-efficient policy optimization. However, a known vulnerability of reconstruction-based MBRL consists of scenarios in which detailed aspects of the world are highly predictable, but irrelevant to learning a good policy. Such scenarios can lead the model to exhaust its capacity on meaningless content, at the cost of neglecting important environment dynamics. While existing approaches attempt to solve this problem, we highlight its continuing impact on leading MBRL methods -- including DreamerV3 and DreamerPro -- with a novel environment where background distractions are intricate, predictable, and useless for planning future actions. To address this challenge we develop a method for focusing the capacity of the world model through synergy of a pretrained segmentation model, a task-aware reconstruction loss, and adversarial learning. Our method outperforms a variety of other approaches designed to reduce the impact of distractors, and is an advance towards robust model-based reinforcement learning.
Authors: Xiaoyu Luo, Qiongxiu Li
Abstract: Adversarial robustness, the ability of a model to withstand manipulated inputs that cause errors, is essential for ensuring the trustworthiness of machine learning models in real-world applications. However, previous studies have shown that enhancing adversarial robustness through adversarial training increases vulnerability to privacy attacks. While differential privacy can mitigate these attacks, it often compromises robustness against both natural and adversarial samples. Our analysis reveals that differential privacy disproportionately impacts low-risk samples, causing an unintended performance drop. To address this, we propose DeMem, which selectively targets high-risk samples, achieving a better balance between privacy protection and model robustness. DeMem is versatile and can be seamlessly integrated into various adversarial training techniques. Extensive evaluations across multiple training methods and datasets demonstrate that DeMem significantly reduces privacy leakage while maintaining robustness against both natural and adversarial samples. These results confirm DeMem's effectiveness and broad applicability in enhancing privacy without compromising robustness.
Authors: Azwad Tamir, Jiann-Shiun Yuan
Abstract: It is a common practice in modern medicine to prescribe multiple medications simultaneously to treat diseases. However, these medications could have adverse reactions between them, known as Drug-Drug Interactions (DDI), which have the potential to cause significant bodily injury and could even be fatal. Hence, it is essential to identify all the DDI events before prescribing multiple drugs to a patient. Most contemporary research for predicting DDI events relies on either information from Biomedical Knowledge graphs (KG) or drug SMILES, with very few managing to merge data from both to make predictions. While others use heuristic algorithms to extract features from SMILES and KGs, which are then fed into a Deep Learning framework to generate output. In this study, we propose a KG-integrated Transformer architecture to generate an end-to-end fully automated Machine Learning pipeline for predicting DDI events with high accuracy. The algorithm takes full-scale molecular SMILES sequences of a pair of drugs and a biomedical KG as input and predicts the interaction between the two drugs with high precision. The results show superior performance in two different benchmark datasets compared to existing state-of-the-art models especially when the test and training sets contain distinct sets of drug molecules. This demonstrates the strong generalization of the proposed model, indicating its potential for DDI event prediction for newly developed drugs. The model does not depend on heuristic models for generating embeddings and has a minimal number of hyperparameters, making it easy to use while demonstrating outstanding performance in low-data scenarios.
Authors: Azwad Tamir, Jiann-Shiun Yuan
Abstract: Recent developments in next generation sequencing technology have led to the creation of extensive, open-source protein databases consisting of hundreds of millions of sequences. To render these sequences applicable in biomedical applications, they must be meticulously annotated by wet lab testing or extracting them from existing literature. Over the last few years, researchers have developed numerous automatic annotation systems, particularly deep learning models based on machine learning and artificial intelligence, to address this issue. In this work, we propose a transformer-based fusion model capable of predicting Gene Ontology (GO) terms from full-scale protein sequences, achieving state-of-the-art accuracy compared to other contemporary machine learning annotation systems. The approach performs particularly well on clustered split datasets, which comprise training and testing samples originating from distinct distributions that are structurally diverse. This demonstrates that the model is able to understand both short and long term dependencies within the enzyme's structure and can precisely identify the motifs associated with the various GO terms. Furthermore, the technique is lightweight and less computationally expensive compared to the benchmark methods, while at the same time not unaffected by sequence length, rendering it appropriate for diverse applications with varying sequence lengths.
Authors: Fang Tang, Han Wang, Maria Laura Delle Monache
Abstract: As natural disasters become increasingly frequent, the need for efficient and equitable evacuation planning has become more critical. This paper proposes a data-driven, reinforcement learning-based framework to optimize bus-based evacuations with an emphasis on improving both efficiency and equity. We model the evacuation problem as a Markov Decision Process solved by reinforcement learning, using real-time transit data from General Transit Feed Specification and transportation networks extracted from OpenStreetMap. The reinforcement learning agent dynamically reroutes buses from their scheduled location to minimize total passengers' evacuation time while prioritizing equity-priority communities. Simulations on the San Francisco Bay Area transportation network indicate that the proposed framework achieves significant improvements in both evacuation efficiency and equitable service distribution compared to traditional rule-based and random strategies. These results highlight the potential of reinforcement learning to enhance system performance and urban resilience during emergency evacuations, offering a scalable solution for real-world applications in intelligent transportation systems.
Authors: Shuguang Yu, Shuxing Fang, Ruixin Peng, Zhengling Qi, Fan Zhou, Chengchun Shi
Abstract: This paper studies off-policy evaluation (OPE) in the presence of unmeasured confounders. Inspired by the two-way fixed effects regression model widely used in the panel data literature, we propose a two-way unmeasured confounding assumption to model the system dynamics in causal reinforcement learning and develop a two-way deconfounder algorithm that devises a neural tensor network to simultaneously learn both the unmeasured confounders and the system dynamics, based on which a model-based estimator can be constructed for consistent policy value estimation. We illustrate the effectiveness of the proposed estimator through theoretical results and numerical experiments.
Authors: Tasfin Mahmud, Tayab Uddin Wara, Chironjeet Das Joy
Abstract: This study aims to understand the factors that resulted in under-five children's malnutrition from the Multiple Indicator Cluster (MICS-2019) nationwide surveys and classify different malnutrition stages based on the four well-established machine learning algorithms, namely - Decision Tree (DT), Random Forest (RF), Support Vector Machine (SVM), and Multi-layer Perceptron (MLP) neural network. Accuracy, precision, recall, and F1 scores are obtained to evaluate the performance of each model. The statistical Pearson correlation coefficient analysis is also done to understand the significant factors related to a child's malnutrition. The eligible data sample for analysis was 21,858 among 24,686 samples from the dataset. Satisfactory and insightful results were obtained in each case and, the RF and MLP performed extraordinarily well. For RF, the accuracy was 98.55%, average precision 98.3%, recall value 95.68%, and F1 score 97.13%. For MLP, the accuracy was 98.69%, average precision 97.62%, recall 90.96%, and F1 score of 97.39%. From the Pearson co-efficient, all negative correlation results are enlisted, and the most significant impacts are found for the WAZ2 (Weight for age Z score WHO) (-0.828"), WHZ2 (Weight for height Z score WHO) (-0.706"), ZBMI (BMI Z score WHO) (-0.656"), BD3 (whether child is still being breastfed) (-0.59"), HAZ2 (Height for age Z score WHO) (-0.452"), CA1 (whether child had diarrhea in last 2 weeks) (-0.34"), Windex5 (Wealth index quantile) (-0.161"), melevel (Mother's education) (-0.132"), and CA14/CA16/CA17 (whether child had illness with fever, cough, and breathing) (-0.04) in successive order.
Authors: Yongzhe Jia, Xuyun Zhang, Hongsheng Hu, Kim-Kwang Raymond Choo, Lianyong Qi, Xiaolong Xu, Amin Beheshti, Wanchun Dou
Abstract: Federated learning (FL) has emerged as a prominent machine learning paradigm in edge computing environments, enabling edge devices to collaboratively optimize a global model without sharing their private data. However, existing FL frameworks suffer from efficacy deterioration due to the system heterogeneity inherent in edge computing, especially in the presence of domain shifts across local data. In this paper, we propose a heterogeneous FL framework DapperFL, to enhance model performance across multiple domains. In DapperFL, we introduce a dedicated Model Fusion Pruning (MFP) module to produce personalized compact local models for clients to address the system heterogeneity challenges. The MFP module prunes local models with fused knowledge obtained from both local and remaining domains, ensuring robustness to domain shifts. Additionally, we design a Domain Adaptive Regularization (DAR) module to further improve the overall performance of DapperFL. The DAR module employs regularization generated by the pruned model, aiming to learn robust representations across domains. Furthermore, we introduce a specific aggregation algorithm for aggregating heterogeneous local models with tailored architectures and weights. We implement DapperFL on a realworld FL platform with heterogeneous clients. Experimental results on benchmark datasets with multiple domains demonstrate that DapperFL outperforms several state-of-the-art FL frameworks by up to 2.28%, while significantly achieving model volume reductions ranging from 20% to 80%. Our code is available at: https://github.com/jyzgh/DapperFL.
Authors: Junha Lee, Sojung An, Sujeong You, Namik Cho
Abstract: Numerical weather prediction (NWP) models are fundamental in meteorology for simulating and forecasting the behavior of various atmospheric variables. The accuracy of precipitation forecasts and the acquisition of sufficient lead time are crucial for preventing hazardous weather events. However, the performance of NWP models is limited by the nonlinear and unpredictable patterns of extreme weather phenomena driven by temporal dynamics. In this regard, we propose a \textbf{S}elf-\textbf{S}upervised \textbf{L}earning with \textbf{P}robabilistic \textbf{D}ensity \textbf{L}abeling (SSLPDL) for estimating rainfall probability by post-processing NWP forecasts. Our post-processing method uses self-supervised learning (SSL) with masked modeling for reconstructing atmospheric physics variables, enabling the model to learn the dependency between variables. The pre-trained encoder is then utilized in transfer learning to a precipitation segmentation task. Furthermore, we introduce a straightforward labeling approach based on probability density to address the class imbalance in extreme weather phenomena like heavy rain events. Experimental results show that SSLPDL surpasses other precipitation forecasting models in regional precipitation post-processing and demonstrates competitive performance in extending forecast lead times. Our code is available at https://github.com/joonha425/SSLPDL
Authors: Rongqing Li, Jiaqi Yu, Changsheng Li, Wenhan Luo, Ye Yuan, Guoren Wang
Abstract: Deep learning models are usually black boxes when deployed on machine learning platforms. Prior works have shown that the attributes (e.g., the number of convolutional layers) of a target black-box model can be exposed through a sequence of queries. There is a crucial limitation: these works assume the training dataset of the target model is known beforehand and leverage this dataset for model attribute attack. However, it is difficult to access the training dataset of the target black-box model in reality. Therefore, whether the attributes of a target black-box model could be still revealed in this case is doubtful. In this paper, we investigate a new problem of black-box reverse engineering, without requiring the availability of the target model's training dataset. We put forward a general and principled framework DREAM, by casting this problem as out-of-distribution (OOD) generalization. In this way, we can learn a domain-agnostic meta-model to infer the attributes of the target black-box model with unknown training data. This makes our method one of the kinds that can gracefully apply to an arbitrary domain for model attribute reverse engineering with strong generalization ability. Extensive experimental results demonstrate the superiority of our proposed method over the baselines.
Authors: Yongxuan Chen, Dianhui Wang
Abstract: Stochastic configuration networks (SCNs), as a class of randomized learner models, are featured by its way of random parameters assignment in the light of a supervisory mechanism, resulting in the universal approximation property at algorithmic level. This paper presents a kernel version of SCNs, termed KSCNs, aiming to enhance model's representation learning capability and performance stability. The random bases of a built SCN model can be used to span a reproducing kernel Hilbert space (RKHS), followed by our proposed algorithm for constructing KSCNs. It is shown that the data distribution in the reconstructive space is favorable for regression solving and the proposed KSCN learner models hold the universal approximation property. Three benchmark datasets including two industrial datasets are used in this study for performance evaluation. Experimental results with comparisons against existing solutions clearly demonstrate that the proposed KSCN remarkably outperforms the original SCNs and some typical kernel methods for resolving nonlinear regression problems in terms of the learning performance, the model's stability and robustness with respect to the kernel parameter settings.
Authors: Usman Anjum, Chris Trentman, Elrod Caden, Justin Zhan
Abstract: Understanding the effect of uncertainty and noise in data on machine learning models (MLM) is crucial in developing trust and measuring performance. In this paper, a new model is proposed to quantify uncertainties and noise in data on MLMs. Using the concept of signal-to-noise ratio (SNR), a new metric called deterministic-non-deterministic ratio (DDR) is proposed to formulate performance of a model. Using synthetic data in experiments, we show how accuracy can change with DDR and how we can use DDR-accuracy curves to determine performance of a model.
Authors: Kerui Wu, Ka-Ho Chow, Wenqi Wei, Lei Yu
Abstract: As Graph Neural Networks (GNNs) become increasingly popular for learning from large-scale graph data across various domains, their susceptibility to adversarial attacks when using graph reduction techniques for scalability remains underexplored. In this paper, we present an extensive empirical study to investigate the impact of graph reduction techniques, specifically graph coarsening and sparsification, on the robustness of GNNs against adversarial attacks. Through extensive experiments involving multiple datasets and GNN architectures, we examine the effects of four sparsification and six coarsening methods on the poisoning attacks. Our results indicate that, while graph sparsification can mitigate the effectiveness of certain poisoning attacks, such as Mettack, it has limited impact on others, like PGD. Conversely, graph coarsening tends to amplify the adversarial impact, significantly reducing classification accuracy as the reduction ratio decreases. Additionally, we provide a novel analysis of the causes driving these effects and examine how defensive GNN models perform under graph reduction, offering practical insights for designing robust GNNs within graph acceleration systems.
Authors: Weizhuo Li, Zhigang Wang, Yu Gu, Ge Yu
Abstract: Recently the generative Large Language Model (LLM) has achieved remarkable success in numerous applications. Notably its inference generates output tokens one-by-one, leading to many redundant computations. The widely-used KV-Cache framework makes a compromise between time and space complexities. However, caching data generates the increasingly growing memory demand, that can quickly exhaust the limited memory capacity of the modern accelerator like GPUs, particularly in long-context inference tasks. Existing studies reduce memory consumption by evicting some of cached data that have less important impact on inference accuracy. But the benefit in practice is far from ideal due to the static cache allocation across different LLM network layers. This paper observes that the layer-specific cached data have very different impacts on accuracy. We quantify this difference, and give experimental and theoretical validation. We accordingly make a formal analysis and shows that customizing the cache size for each layer in a personalized manner can yield a significant memory reduction, while still providing comparable accuracy. We simulate the cache allocation as a combinatorial optimization problem and give a global optimal solution. In particular, we devise a mini- and sampling-based inference over a lightweight variant of the LLM model, so as to quickly capture the difference and then feed it into the personalized algorithms. Extensive experiments on real-world datasets demonstrate that our proposals can reduce KV cache memory consumption by 61.6% on average, improve computational efficiency by 2.1x and then increase the throughput by up to 5.5x.
Authors: Sertac Kilickaya, Cansu Celebioglu, Levent Eren, Murat Askar
Abstract: Condition monitoring of induction machines is crucial to prevent costly interruptions and equipment failure. Mechanical faults such as misalignment and rotor issues are among the most common problems encountered in industrial environments. To effectively monitor and detect these faults, a variety of sensors, including accelerometers, current sensors, temperature sensors, and microphones, are employed in the field. As a non-contact alternative, thermal imaging offers a powerful monitoring solution by capturing temperature variations in machines with thermal cameras. In this study, we propose using 2-dimensional Self-Organized Operational Neural Networks (Self-ONNs) to diagnose misalignment and broken rotor faults from thermal images of squirrel-cage induction motors. We evaluate our approach by benchmarking its performance against widely used Convolutional Neural Networks (CNNs), including ResNet, EfficientNet, PP-LCNet, SEMNASNet, and MixNet, using a Workswell InfraRed Camera (WIC). Our results demonstrate that Self-ONNs, with their non-linear neurons and self-organizing capability, achieve diagnostic performance comparable to more complex CNN models while utilizing a shallower architecture with just three operational layers. Its streamlined architecture ensures high performance and is well-suited for deployment on edge devices, enabling its use also in more complex multi-function and/or multi-device monitoring systems.
Authors: Sakhinana Sagar Srinivas, Akash Das, Shivam Gupta, Venkataramana Runkana
Abstract: Process Flow Diagrams (PFDs) and Process and Instrumentation Diagrams (PIDs) are critical tools for industrial process design, control, and safety. However, the generation of precise and regulation-compliant diagrams remains a significant challenge, particularly in scaling breakthroughs from material discovery to industrial production in an era of automation and digitalization. This paper introduces an autonomous agentic framework to address these challenges through a twostage approach involving knowledge acquisition and generation. The framework integrates specialized sub-agents for retrieving and synthesizing multimodal data from publicly available online sources and constructs ontological knowledge graphs using a Graph Retrieval-Augmented Generation (Graph RAG) paradigm. These capabilities enable the automation of diagram generation and open-domain question answering (ODQA) tasks with high contextual accuracy. Extensive empirical experiments demonstrate the frameworks ability to deliver regulation-compliant diagrams with minimal expert intervention, highlighting its practical utility for industrial applications.
Authors: Naveed Ur Rehman Junejo, Muhammad Wasim Nawaz, Qingsheng Huang, Xiaoqing Dong, Chang Wang, Gengzhong Zheng
Abstract: The ability to accurately predict and analyze student performance in online education, both at the outset and throughout the semester, is vital. Most of the published studies focus on binary classification (Fail or Pass) but there is still a significant research gap in predicting students' performance across multiple categories. This study introduces a novel neural network-based approach capable of accurately predicting student performance and identifying vulnerable students at early stages of the online courses. The Open University Learning Analytics (OULA) dataset is employed to develop and test the proposed model, which predicts outcomes in Distinction, Fail, Pass, and Withdrawn categories. The OULA dataset is preprocessed to extract features from demographic data, assessment data, and clickstream interactions within a Virtual Learning Environment (VLE). Comparative simulations indicate that the proposed model significantly outperforms existing baseline models including Artificial Neural Network Long Short Term Memory (ANN-LSTM), Random Forest (RF) 'gini', RF 'entropy' and Deep Feed Forward Neural Network (DFFNN) in terms of accuracy, precision, recall, and F1-score. The results indicate that the prediction accuracy of the proposed method is about 25% more than the existing state-of-the-art. Furthermore, compared to existing methodologies, the model demonstrates superior predictive capability across temporal course progression, achieving superior accuracy even at the initial 20% phase of course completion.
Authors: Namgyu Kang, Jaemin Oh, Youngjoon Hong, Eunbyung Park
Abstract: The approximation of Partial Differential Equations (PDEs) using neural networks has seen significant advancements through Physics-Informed Neural Networks (PINNs). Despite their straightforward optimization framework and flexibility in implementing various PDEs, PINNs often suffer from limited accuracy due to the spectral bias of Multi-Layer Perceptrons (MLPs), which struggle to effectively learn high-frequency and non-linear components. Recently, parametric mesh representations in combination with neural networks have been investigated as a promising approach to eliminate the inductive biases of neural networks. However, they usually require very high-resolution grids and a large number of collocation points to achieve high accuracy while avoiding overfitting issues. In addition, the fixed positions of the mesh parameters restrict their flexibility, making it challenging to accurately approximate complex PDEs. To overcome these limitations, we propose Physics-Informed Gaussians (PIGs), which combine feature embeddings using Gaussian functions with a lightweight neural network. Our approach uses trainable parameters for the mean and variance of each Gaussian, allowing for dynamic adjustment of their positions and shapes during training. This adaptability enables our model to optimally approximate PDE solutions, unlike models with fixed parameter positions. Furthermore, the proposed approach maintains the same optimization framework used in PINNs, allowing us to benefit from their excellent properties. Experimental results show the competitive performance of our model across various PDEs, demonstrating its potential as a robust tool for solving complex PDEs. Our project page is available at https://namgyukang.github.io/Physics-Informed-Gaussians/
URLs: https://namgyukang.github.io/Physics-Informed-Gaussians/
Authors: Christie Djidjev
Abstract: As cyber threats continue to evolve in sophistication and scale, the ability to detect anomalous network behavior has become critical for maintaining robust cybersecurity defenses. Modern cybersecurity systems face the overwhelming challenge of analyzing billions of daily network interactions to identify potential threats, making efficient and accurate anomaly detection algorithms crucial for network defense. This paper investigates the use of variations of the Isolation Forest (iForest) machine learning algorithm for detecting anomalies in internet scan data. In particular, it presents the Set-Partitioned Isolation Forest (siForest), a novel extension of the iForest method designed to detect anomalies in set-structured data. By treating instances such as sets of multiple network scans with the same IP address as cohesive units, siForest effectively addresses some challenges of analyzing complex, multidimensional datasets. Extensive experiments on synthetic datasets simulating diverse anomaly scenarios in network traffic demonstrate that siForest has the potential to outperform traditional approaches on some types of internet scan data.
Authors: Yekun Ke, Yingyu Liang, Zhenmei Shi, Zhao Song, Chiwun Yang
Abstract: The application of transformer-based models on time series forecasting (TSF) tasks has long been popular to study. However, many of these works fail to beat the simple linear residual model, and the theoretical understanding of this issue is still limited. In this work, we propose the first theoretical explanation of the inefficiency of transformers on TSF tasks. We attribute the mechanism behind it to {\bf Asymmetric Learning} in training attention networks. When the sign of the previous step is inconsistent with the sign of the current step in the next-step-prediction time series, attention fails to learn the residual features. This makes it difficult to generalize on out-of-distribution (OOD) data, especially on the sign-inconsistent next-step-prediction data, with the same representation pattern, whereas a linear residual network could easily accomplish it. We hope our theoretical insights provide important necessary conditions for designing the expressive and efficient transformer-based architecture for practitioners.
Authors: Zhao Song, Ali Vakilian, David P. Woodruff, Samson Zhou
Abstract: Low-rank approximation and column subset selection are two fundamental and related problems that are applied across a wealth of machine learning applications. In this paper, we study the question of socially fair low-rank approximation and socially fair column subset selection, where the goal is to minimize the loss over all sub-populations of the data. We show that surprisingly, even constant-factor approximation to fair low-rank approximation requires exponential time under certain standard complexity hypotheses. On the positive side, we give an algorithm for fair low-rank approximation that, for a constant number of groups and constant-factor accuracy, runs in $2^{\text{poly}(k)}$ time rather than the na\"{i}ve $n^{\text{poly}(k)}$, which is a substantial improvement when the dataset has a large number $n$ of observations. We then show that there exist bicriteria approximation algorithms for fair low-rank approximation and fair column subset selection that run in polynomial time.
Authors: Pramith Devulapalli, Steve Hanneke
Abstract: Imagine a smart camera trap selectively clicking pictures to understand animal movement patterns within a particular habitat. These "snapshots", or pieces of data captured from a data stream at adaptively chosen times, provide a glimpse of different animal movements unfolding through time. Learning a continuous-time process through snapshots, such as smart camera traps, is a central theme governing a wide array of online learning situations. In this paper, we adopt a learning-theoretic perspective in understanding the fundamental nature of learning different classes of functions from both discrete data streams and continuous data streams. In our first framework, the \textit{update-and-deploy} setting, a learning algorithm discretely queries from a process to update a predictor designed to make predictions given as input the data stream. We construct a uniform sampling algorithm that can learn with bounded error any concept class with finite Littlestone dimension. Our second framework, known as the \emph{blind-prediction} setting, consists of a learning algorithm generating predictions independently of observing the process, only engaging with the process when it chooses to make queries. Interestingly, we show a stark contrast in learnability where non-trivial concept classes are unlearnable. However, we show that adaptive learning algorithms are necessary to learn sets of time-dependent and data-dependent functions, called pattern classes, in either framework. Finally, we develop a theory of pattern classes under discrete data streams for the blind-prediction setting.
Authors: Zhuofan Li, Corey M. Abramson
Abstract: Ethnography (social scientific methods that illuminate how people understand, navigate and shape the real world contexts in which they live their lives) and machine learning (computational techniques that use big data and statistical learning models to perform quantifiable tasks) are each core to contemporary social science. Yet these tools have remained largely separate in practice. This chapter draws on a growing body of scholarship that argues that ethnography and machine learning can be usefully combined, particularly for large comparative studies. Specifically, this paper (a) explains the value (and challenges) of using machine learning alongside qualitative field research for certain types of projects, (b) discusses recent methodological trends to this effect, (c) provides examples that illustrate workflow drawn from several large projects, and (d) concludes with a roadmap for enabling productive coevolution of field methods and machine learning.
Authors: Rostyslav Olshevskyi, Zhongyuan Zhao, Kevin Chan, Gunjan Verma, Ananthram Swami, Santiago Segarra
Abstract: Graph neural networks (GNNs) are powerful tools for developing scalable, decentralized artificial intelligence in large-scale networked systems, such as wireless networks, power grids, and transportation networks. Currently, GNNs in networked systems mostly follow a paradigm of `centralized training, distributed execution', which limits their adaptability and slows down their development cycles. In this work, we fill this gap for the first time by developing a communication-efficient, fully distributed online training approach for GNNs applied to large networked systems. For a mini-batch with $B$ samples, our approach of training an $L$-layer GNN only adds $L$ rounds of message passing to the $LB$ rounds required by GNN inference, with doubled message sizes. Through numerical experiments in graph-based node regression, power allocation, and link scheduling in wireless networks, we demonstrate the effectiveness of our approach in training GNNs under supervised, unsupervised, and reinforcement learning paradigms.
Authors: Ali Menati, Fatemeh Doudi, Dileep Kalathil, Le Xie
Abstract: The electricity sector is undergoing substantial transformations due to the rising electrification of demand, enhanced integration of renewable energy resources, and the emergence of new technologies. These changes are rendering the electric grid more volatile and unpredictable, making it difficult to maintain reliable operations. In order to address these issues, advanced time series prediction models are needed for closing the gap between the forecasted and actual grid outcomes. In this paper, we introduce a multivariate time series prediction model that combines traditional state space models with deep learning methods to simultaneously capture and predict the underlying dynamics of multiple time series. Additionally, we design a time series processing module that incorporates high-resolution external forecasts into sequence-to-sequence prediction models, achieving this with negligible increases in size and no loss of accuracy. We also release an extended dataset spanning five years of load, electricity price, ancillary service price, and renewable generation. To complement this dataset, we provide an open-access toolbox that includes our proposed model, the dataset itself, and several state-of-the-art prediction models, thereby creating a unified framework for benchmarking advanced machine learning approaches. Our findings indicate that the proposed model outperforms existing models across various prediction tasks, improving state-of-the-art prediction error by an average of 7% and decreasing model parameters by 43%.
Authors: Ting Qiao, Henry Williams, David Valencia, Bruce MacDonald
Abstract: One of the bottlenecks preventing Deep Reinforcement Learning algorithms (DRL) from real-world applications is how to explore the environment and collect informative transitions efficiently. The present paper describes bounded exploration, a novel exploration method that integrates both 'soft' and intrinsic motivation exploration. Bounded exploration notably improved the Soft Actor-Critic algorithm's performance and its model-based extension's converging speed. It achieved the highest score in 6 out of 8 experiments. Bounded exploration presents an alternative method to introduce intrinsic motivations to exploration when the original reward function has strict meanings.
Authors: Kamala Devi Kannan, Senthil Kumar Jagatheesaperumal, Rajesh N. V. P. S. Kandala, Mojtaba Lotfaliany, Roohallah Alizadehsanid, Mohammadreza Mohebbi
Abstract: For the early identification, diagnosis, and treatment of mental health illnesses, the integration of deep learning (DL) and machine learning (ML) has started playing a significant role. By evaluating complex data from imaging, genetics, and behavioral assessments, these technologies have the potential to significantly improve clinical outcomes. However, they also present unique challenges related to data integration and ethical issues. This survey reviews the development of ML and DL methods for the early diagnosis and treatment of mental health issues. It examines a range of applications, with a particular emphasis on behavioral assessments, genetic and biomarker analysis, and medical imaging for diagnosing diseases like depression, bipolar disorder, and schizophrenia. Predictive modeling for illness progression is further discussed, focusing on the role of risk prediction models and longitudinal studies. Key findings highlight how ML and DL can improve diagnostic accuracy and treatment outcomes while addressing methodological inconsistencies, data integration challenges, and ethical concerns. The study emphasizes the importance of building real-time monitoring systems for individualized treatment, enhancing data fusion techniques, and fostering interdisciplinary collaboration. Future research should focus on overcoming these obstacles to ensure the valuable and ethical application of ML and DL in mental health services.
Authors: Edward Chen, Natalie Dullerud, Thomas Niedermayr, Elizabeth Kidd, Ransalu Senanayake, Pang Wei Koh, Sanmi Koyejo, Carlos Guestrin
Abstract: Countless science and engineering applications in multi-objective optimization (MOO) necessitate that decision-makers (DMs) select a Pareto-optimal solution which aligns with their preferences. Evaluating individual solutions is often expensive, necessitating cost-sensitive optimization techniques. Due to competing objectives, the space of trade-offs is also expansive -- thus, examining the full Pareto frontier may prove overwhelming to a DM. Such real-world settings generally have loosely-defined and context-specific desirable regions for each objective function that can aid in constraining the search over the Pareto frontier. We introduce a novel conceptual framework that operationalizes these priors using soft-hard functions, SHFs, which allow for the DM to intuitively impose soft and hard bounds on each objective -- which has been lacking in previous MOO frameworks. Leveraging a novel minimax formulation for Pareto frontier sampling, we propose a two-step process for obtaining a compact set of Pareto-optimal points which respect the user-defined soft and hard bounds: (1) densely sample the Pareto frontier using Bayesian optimization, and (2) sparsify the selected set to surface to the user, using robust submodular function optimization. We prove that (2) obtains the optimal compact Pareto-optimal set of points from (1). We further show that many practical problems fit within the SHF framework and provide extensive empirical validation on diverse domains, including brachytherapy, engineering design, and large language model personalization. Specifically, for brachytherapy, our approach returns a compact set of points with over 3% greater SHF-defined utility than the next best approach. Among the other diverse experiments, our approach consistently leads in utility, allowing the DM to reach >99% of their maximum possible desired utility within validation of 5 points.
Authors: Gaurav Shrivastava
Abstract: Obstacle-aware trajectory navigation is crucial for many systems. For example, in real-world navigation tasks, an agent must avoid obstacles, such as furniture in a room, while planning a trajectory. Gaussian Process (GP) regression, in its current form, fits a curve to a set of data pairs, with each pair consisting of an input point 'x' and its corresponding target regression value 'y(x)' (a positive data pair). However, to account for obstacles, we need to constrain the GP to avoid a target regression value 'y(x-)' for an input point 'x-' (a negative data pair). Our proposed approach, 'GP-ND' (Gaussian Process with Negative Datapairs), fits the model to the positive data pairs while avoiding the negative ones. Specifically, we model the negative data pairs using small blobs of Gaussian distribution and maximize their KL divergence from the GP. Our framework jointly optimizes for both positive and negative data pairs. Our experiments show that GP-ND outperforms traditional GP learning. Additionally, our framework does not affect the scalability of Gaussian Process regression and helps the model converge faster as the data size increases.
Authors: Rohan Deb, Mohammad Ghavamzadeh, Arindam Banerjee
Abstract: Conservative Contextual Bandits (CCBs) address safety in sequential decision making by requiring that an agent's policy, along with minimizing regret, also satisfies a safety constraint: the performance is not worse than a baseline policy (e.g., the policy that the company has in production) by more than $(1+\alpha)$ factor. Prior work developed UCB-style algorithms in the multi-armed [Wu et al., 2016] and contextual linear [Kazerouni et al., 2017] settings. However, in practice the cost of the arms is often a non-linear function, and therefore existing UCB algorithms are ineffective in such settings. In this paper, we consider CCBs beyond the linear case and develop two algorithms $\mathtt{C-SquareCB}$ and $\mathtt{C-FastCB}$, using Inverse Gap Weighting (IGW) based exploration and an online regression oracle. We show that the safety constraint is satisfied with high probability and that the regret of $\mathtt{C-SquareCB}$ is sub-linear in horizon $T$, while the regret of $\mathtt{C-FastCB}$ is first-order and is sub-linear in $L^*$, the cumulative loss of the optimal policy. Subsequently, we use a neural network for function approximation and online gradient descent as the regression oracle to provide $\tilde{O}(\sqrt{KT} + K/\alpha) $ and $\tilde{O}(\sqrt{KL^*} + K (1 + 1/\alpha))$ regret bounds, respectively. Finally, we demonstrate the efficacy of our algorithms on real-world data and show that they significantly outperform the existing baseline while maintaining the performance guarantee.
Authors: Hao Fu, Prashanth Krishnamurthy, Siddharth Garg, Farshad Khorrami
Abstract: Out-of-distribution (OOD) detection is crucial for the deployment of machine learning models in the open world. While existing OOD detectors are effective in identifying OOD samples that deviate significantly from in-distribution (ID) data, they often come with trade-offs. For instance, deep OOD detectors usually suffer from high computational costs, require tuning hyperparameters, and have limited interpretability, whereas traditional OOD detectors may have a low accuracy on large high-dimensional datasets. To address these limitations, we propose a novel effective OOD detection approach that employs an overlap index (OI)-based confidence score function to evaluate the likelihood of a given input belonging to the same distribution as the available ID samples. The proposed OI-based confidence score function is non-parametric, lightweight, and easy to interpret, hence providing strong flexibility and generality. Extensive empirical evaluations indicate that our OI-based OOD detector is competitive with state-of-the-art OOD detectors in terms of detection accuracy on a wide range of datasets while requiring less computation and memory costs. Lastly, we show that the proposed OI-based confidence score function inherits nice properties from OI (e.g., insensitivity to small distributional variations and robustness against Huber $\epsilon$-contamination) and is a versatile tool for estimating OI and model accuracy in specific contexts.
Authors: Isay Katsman, Ethan Lou, Anna Gilbert
Abstract: Graph machine learning has enjoyed a meteoric rise in popularity since the introduction of deep learning in graph contexts. This is no surprise due to the ubiquity of graph data in large scale industrial settings. Tacitly assumed in all graph learning tasks is the separation of the graph structure and node features: node features strictly encode individual data while the graph structure consists only of pairwise interactions. The driving belief is that node features are (by themselves) insufficient for these tasks, so benchmark performance accurately reflects improvements in graph learning. In our paper, we challenge this orthodoxy by showing that, surprisingly, node features are oftentimes more-than-sufficient for many common graph benchmarks, breaking this critical assumption. When comparing against a well-tuned feature-only MLP baseline on seven of the most commonly used graph learning datasets, one gains little benefit from using graph structure on five datasets. We posit that these datasets do not benefit considerably from graph learning because the features themselves already contain enough graph information to obviate or substantially reduce the need for the graph. To illustrate this point, we perform a feature study on these datasets and show how the features are responsible for closing the gap between MLP and graph-method performance. Further, in service of introducing better empirical measures of progress for graph neural networks, we present a challenging parametric family of principled synthetic datasets that necessitate graph information for nontrivial performance. Lastly, we section out a subset of real-world datasets that are not trivially solved by an MLP and hence serve as reasonable benchmarks for graph neural networks.
Authors: Pranjal Aggarwal, Bryan Parno, Sean Welleck
Abstract: Automated code generation with large language models has gained significant traction, but there remains no guarantee on the correctness of generated code. We aim to use formal verification to provide mathematical guarantees that the generated code is correct. However, generating formally verified code with LLMs is hindered by the scarcity of training data and the complexity of formal proofs. To tackle this challenge, we introduce AlphaVerus, a self-improving framework that bootstraps formally verified code generation by iteratively translating programs from a higher-resource language and leveraging feedback from a verifier. AlphaVerus operates in three phases: exploration of candidate translations, Treefinement -- a novel tree search algorithm for program refinement using verifier feedback, and filtering misaligned specifications and programs to prevent reward hacking. Through this iterative process, AlphaVerus enables a LLaMA-3.1-70B model to generate verified code without human intervention or model finetuning. AlphaVerus shows an ability to generate formally verified solutions for HumanEval and MBPP, laying the groundwork for truly trustworthy code-generation agents.
Authors: L\'ea Demeule, Mahtab Sandhu, Glen Berseth
Abstract: The majority of signal data captured in the real world uses numerous sensors with different resolutions. In practice, however, most deep learning architectures are fixed-resolution; they consider a single resolution at training time and inference time. This is convenient to implement but fails to fully take advantage of the diverse signal data that exists. In contrast, other deep learning architectures are adaptive-resolution; they directly allow various resolutions to be processed at training time and inference time. This benefits robustness and computational efficiency but introduces difficult design constraints that hinder mainstream use. In this work, we address the shortcomings of both fixed-resolution and adaptive-resolution methods by introducing Adaptive Resolution Residual Networks (ARRNs), which inherit the advantages of adaptive-resolution methods and the ease of use of fixed-resolution methods. We construct ARRNs from Laplacian residuals, which serve as generic adaptive-resolution adapters for fixed-resolution layers, and which allow casting high-resolution ARRNs into low-resolution ARRNs at inference time by simply omitting high-resolution Laplacian residuals, thus reducing computational cost on low-resolution signals without compromising performance. We complement this novel component with Laplacian dropout, which regularizes for robustness to a distribution of lower resolutions, and which also regularizes for errors that may be induced by approximate smoothing kernels in Laplacian residuals. We provide a solid grounding for the advantageous properties of ARRNs through a theoretical analysis based on neural operators, and empirically show that ARRNs embrace the challenge posed by diverse resolutions with greater flexibility, robustness, and computational efficiency.
Authors: Mahla Ardebili Pour, Mohammad B. Ghiasi, Ali Karkehabadi
Abstract: Floods are among the most prevalent and destructive natural disasters, often leading to severe social and economic impacts in urban areas due to the high concentration of assets and population density. In Iran, particularly in Tehran, recurring flood events underscore the urgent need for robust urban resilience strategies. This paper explores flood resilience models to identify the most effective approach for District 6 in Tehran. Through an extensive literature review, various resilience models were analyzed, with the Climate Disaster Resilience Index (CDRI) emerging as the most suitable model for this district due to its comprehensive resilience dimensions: Physical, Social, Economic, Organizational, and Natural Health resilience. Although the CDRI model provides a structured approach to resilience measurement, it remains a static model focused on spatial characteristics and lacks temporal adaptability. An extensive literature review enhances the CDRI model by integrating data from 2013 to 2022 in three-year intervals and applying machine learning techniques to predict resilience dimensions for 2025. This integration enables a dynamic resilience model that can accommodate temporal changes, providing a more adaptable and data driven foundation for urban flood resilience planning. By employing artificial intelligence to reflect evolving urban conditions, this model offers valuable insights for policymakers and urban planners to enhance flood resilience in Tehrans critical District 6.
Authors: Hanping Zhang, Yuhong Guo
Abstract: Learning from Demonstration (LfD) aims to facilitate rapid Reinforcement Learning (RL) by leveraging expert demonstrations to pre-train the RL agent. However, the limited availability of expert demonstration data often hinders its ability to effectively aid downstream RL learning. To address this problem, we propose a novel two-stage method dubbed as Skill-enhanced Reinforcement Learning Acceleration (SeRLA). SeRLA introduces a skill-level adversarial Positive-Unlabeled (PU) learning model to extract useful skill prior knowledge by enabling learning from both limited expert data and general low-cost demonstration data in the offline prior learning stage. Subsequently, it deploys a skill-based soft actor-critic algorithm to leverage this acquired prior knowledge in the downstream online RL stage for efficient training of a skill policy network. Moreover, we develop a simple skill-level data enhancement technique to further alleviate data sparsity and improve both skill prior learning and downstream skill policy training. Our experimental results on multiple standard RL environments show the proposed SeRLA method achieves state-of-the-art performance on accelerating reinforcement learning on downstream tasks, especially in the early learning phase.
Authors: Jiechao Gao, Yuangang Li, Yue Zhao, Brad Campbell
Abstract: The proliferation of Internet of Things (IoT) has increased interest in federated learning (FL) for privacy-preserving distributed data utilization. However, traditional two-tier FL architectures inadequately adapt to multi-tier IoT environments. While Hierarchical Federated Learning (HFL) improves practicality in multi-tier IoT environments by multi-layer aggregation, it still faces challenges in communication efficiency and accuracy due to high data transfer volumes, data heterogeneity, and imbalanced device distribution, struggling to meet the low-latency and high-accuracy model training requirements of practical IoT scenarios. To overcome these limitations, we propose H-FedSN, an innovative approach for practical IoT environments. H-FedSN introduces a binary mask mechanism with shared and personalized layers to reduce communication overhead by creating a sparse network while keeping original weights frozen. To address data heterogeneity and imbalanced device distribution, we integrate personalized layers for local data adaptation and apply Bayesian aggregation with cumulative Beta distribution updates at edge and cloud levels, effectively balancing contributions from diverse client groups. Evaluations on three real-world IoT datasets and MNIST under non-IID settings demonstrate that H-FedSN significantly reduces communication costs by 58 to 238 times compared to HierFAVG while achieving high accuracy, making it highly effective for practical IoT applications in hierarchical federated learning scenarios.
Authors: Zhepeng Wang, Runxue Bao, Yawen Wu, Guodong Liu, Lei Yang, Liang Zhan, Feng Zheng, Weiwen Jiang, Yanfu Zhang
Abstract: Graph neural networks (GNNs) are powerful machine learning models designed to handle irregularly structured data. However, their generic design often proves inadequate for analyzing brain connectomes in Alzheimer's Disease (AD), highlighting the need to incorporate domain knowledge for optimal performance. Infusing AD-related knowledge into GNNs is a complicated task. Existing methods typically rely on collaboration between computer scientists and domain experts, which can be both time-intensive and resource-demanding. To address these limitations, this paper presents a novel self-guided, knowledge-infused multimodal GNN that autonomously incorporates domain knowledge into the model development process. Our approach conceptualizes domain knowledge as natural language and introduces a specialized multimodal GNN capable of leveraging this uncurated knowledge to guide the learning process of the GNN, such that it can improve the model performance and strengthen the interpretability of the predictions. To evaluate our framework, we curated a comprehensive dataset of recent peer-reviewed papers on AD and integrated it with multiple real-world AD datasets. Experimental results demonstrate the ability of our method to extract relevant domain knowledge, provide graph-based explanations for AD diagnosis, and improve the overall performance of the GNN. This approach provides a more scalable and efficient alternative to inject domain knowledge for AD compared with the manual design from the domain expert, advancing both prediction accuracy and interpretability in AD diagnosis.
Authors: Yaron Lipman, Marton Havasi, Peter Holderrieth, Neta Shaul, Matt Le, Brian Karrer, Ricky T. Q. Chen, David Lopez-Paz, Heli Ben-Hamu, Itai Gat
Abstract: Flow Matching (FM) is a recent framework for generative modeling that has achieved state-of-the-art performance across various domains, including image, video, audio, speech, and biological structures. This guide offers a comprehensive and self-contained review of FM, covering its mathematical foundations, design choices, and extensions. By also providing a PyTorch package featuring relevant examples (e.g., image and text generation), this work aims to serve as a resource for both novice and experienced researchers interested in understanding, applying and further developing FM.
Authors: Seungeun Lee, Seungsang Oh
Abstract: Recent advancements in deep learning for tabular data have demonstrated promising performance, yet interpretable models remain limited, with many relying on complex and large-scale architectures. This paper introduces Table2Image, an interpretable framework that transforms tabular data into realistic image representations for classification, achieving competitive performance with relatively lightweight models. Additionally, we propose variance inflation factor (VIF) initialization, which reflects the statistical properties of the data, and a novel interpretability framework that integrates insights from both the original tabular data and its image transformations. By leveraging Shapley additive explanations (SHAP) with methods to minimize distributional discrepancies, our approach combines tabular and image-based representations. Experiments on benchmark datasets showcase competitive classification accuracy, area under the curve (AUC), and improved interpretability, offering a scalable and reliable solution. Our code is available at https://github.com/duneag2/table2image.
Authors: Xinyu Yang, Jixuan Leng, Geyang Guo, Jiawei Zhao, Ryumei Nakada, Linjun Zhang, Huaxiu Yao, Beidi Chen
Abstract: Current PEFT methods for LLMs can achieve either high quality, efficient training, or scalable serving, but not all three simultaneously. To address this limitation, we investigate sparse fine-tuning and observe a remarkable improvement in generalization ability. Utilizing this key insight, we propose a family of Structured Sparse Fine-Tuning (S$^{2}$FT) methods for LLMs, which concurrently achieve state-of-the-art fine-tuning performance, training efficiency, and inference scalability. S$^{2}$FT accomplishes this by "selecting sparsely and computing densely". It selects a few heads and channels in the MHA and FFN modules for each Transformer block, respectively. Next, it co-permutes weight matrices on both sides of the coupled structures in LLMs to connect the selected components in each layer into a dense submatrix. Finally, S$^{2}$FT performs in-place gradient updates on all submatrices. Through theoretical analysis and empirical results, our method prevents overfitting and forgetting, delivers SOTA performance on both commonsense and arithmetic reasoning with 4.6% and 1.3% average improvements compared to LoRA, and surpasses full FT by 11.5% when generalizing to various domains after instruction tuning. Using our partial backpropagation algorithm, S$^{2}$FT saves training memory up to 3$\times$ and improves latency by 1.5-2.7$\times$ compared to full FT, while delivering an average 10% improvement over LoRA on both metrics. We further demonstrate that the weight updates in S$^{2}$FT can be decoupled into adapters, enabling effective fusion, fast switch, and efficient parallelism for serving multiple fine-tuned models.
Authors: Hyowon Cho, Soonwon Ka, Daechul Park, Jaewook Kang, Minjoon Seo, Bokyung Son
Abstract: Large language models (LLMs) often struggle to objectively identify latent characteristics in large datasets due to their reliance on pre-trained knowledge rather than actual data patterns. To address this data grounding issue, we propose Data Scientist AI (DSAI), a framework that enables unbiased and interpretable feature extraction through a multi-stage pipeline with quantifiable prominence metrics for evaluating extracted features. On synthetic datasets with known ground-truth features, DSAI demonstrates high recall in identifying expert-defined features while faithfully reflecting the underlying data. Applications on real-world datasets illustrate the framework's practical utility in uncovering meaningful patterns with minimal expert oversight, supporting use cases such as interpretable classification. The title of our paper is chosen from multiple candidates based on DSAI-generated criteria.
Authors: Carlo Lucibello, Aurora Rossi
Abstract: GraphNeuralNetworks.jl is an open-source framework for deep learning on graphs, written in the Julia programming language. It supports multiple GPU backends, generic sparse or dense graph representations, and offers convenient interfaces for manipulating standard, heterogeneous, and temporal graphs with attributes at the node, edge, and graph levels. The framework allows users to define custom graph convolutional layers using gather/scatter message-passing primitives or optimized fused operations. It also includes several popular layers, enabling efficient experimentation with complex deep architectures. The package is available on GitHub: \url{https://github.com/JuliaGraphs/GraphNeuralNetworks.jl}.
Authors: Songkang Wen, Vasilii Feofanov, Jianfeng Zhang
Abstract: Recently, there has been a growing interest in time series foundation models that generalize across different downstream tasks. A key to strong foundation models is a diverse pre-training dataset, which is particularly challenging to collect for time series classification. In this work, we explore the performance of a contrastive-learning-based foundation model as a function of the data used for pre-training. We introduce contrastive accuracy, a new measure to evaluate the quality of the representation space learned by the foundation model. Our experiments reveal the positive correlation between the proposed measure and the accuracy of the model on a collection of downstream tasks. This suggests that the contrastive accuracy can serve as a criterion to search for time series datasets that can enhance the pre-training and improve thereby the foundation model's generalization.
Authors: Joshua Freeman, Chloe Rippe, Edoardo Debenedetti, Maksym Andriushchenko
Abstract: Copyright infringement in frontier LLMs has received much attention recently due to the New York Times v. OpenAI lawsuit, filed in December 2023. The New York Times claims that GPT-4 has infringed its copyrights by reproducing articles for use in LLM training and by memorizing the inputs, thereby publicly displaying them in LLM outputs. Our work aims to measure the propensity of OpenAI's LLMs to exhibit verbatim memorization in its outputs relative to other LLMs, specifically focusing on news articles. We discover that both GPT and Claude models use refusal training and output filters to prevent verbatim output of the memorized articles. We apply a basic prompt template to bypass the refusal training and show that OpenAI models are currently less prone to memorization elicitation than models from Meta, Mistral, and Anthropic. We find that as models increase in size, especially beyond 100 billion parameters, they demonstrate significantly greater capacity for memorization. Our findings have practical implications for training: more attention must be placed on preventing verbatim memorization in very large models. Our findings also have legal significance: in assessing the relative memorization capacity of OpenAI's LLMs, we probe the strength of The New York Times's copyright infringement claims and OpenAI's legal defenses, while underscoring issues at the intersection of generative AI, law, and policy.
Authors: Olivier Vu Thanh
Abstract: Low-rank matrix factorizations are a class of linear models widely used in various fields such as machine learning, signal processing, and data analysis. These models approximate a matrix as the product of two smaller matrices, where the left matrix captures latent features while the right matrix linearly decomposes the data based on these features. There are many ways to define what makes a component "important." Standard LRMFs, such as the truncated singular value decomposition, focus on minimizing the distance between the original matrix and its low-rank approximation. In this thesis, the notion of "importance" is closely linked to interpretability and uniqueness, which are key to obtaining reliable and meaningful results. This thesis thus focuses on volume-based constraints and regularizations designed to enhance interpretability and uniqueness. We first introduce two new volume-constrained LRMFs designed to enhance these properties. The first assumes that data points are naturally bounded (e.g., movie ratings between 1 and 5 stars) and can be explained by convex combinations of features within the same bounds, allowing them to be interpreted in the same way as the data. The second model is more general, constraining the factors to belong to convex polytopes. Then, two variants of volume-regularized LRMFs are proposed. The first minimizes the volume of the latent features, encouraging them to cluster closely together, while the second maximizes the volume of the decompositions, promoting sparse representations. Across all these models, uniqueness is achieved under the core principle that the factors must be "sufficiently scattered" within their respective feasible sets. Motivated by applications such as blind source separation and missing data imputation, this thesis also proposes efficient algorithms that make these models practical for real-world applications.
Authors: Khoat Than, Dat Phan, Giang Vu
Abstract: Robustness and generalization ability of machine learning models are of utmost importance in various application domains. There is a wide interest in efficient ways to analyze those properties. One important direction is to analyze connection between those two properties. Prior theories suggest that a robust learning algorithm can produce trained models with a high generalization ability. However, we show in this work that the existing error bounds are vacuous for the Bayes optimal classifier which is the best among all measurable classifiers for a classification problem with overlapping classes. Those bounds cannot converge to the true error of this ideal classifier. This is undesirable, surprizing, and never known before. We then present a class of novel bounds, which are model-dependent and provably tighter than the existing robustness-based ones. Unlike prior ones, our bounds are guaranteed to converge to the true error of the best classifier, as the number of samples increases. We further provide an extensive experiment and find that two of our bounds are often non-vacuous for a large class of deep neural networks, pretrained from ImageNet.
Authors: Kevin Gao, Maxwell A. Xu, James M. Rehg, Alexander Moreno
Abstract: We introduce PyPulse, a Python package for imputation of biosignals in both clinical and wearable sensor settings. Missingness is commonplace in these settings and can arise from multiple causes, such as insecure sensor attachment or data transmission loss. PyPulse's framework provides a modular and extendable framework with high ease-of-use for a broad userbase, including non-machine-learning bioresearchers. Specifically, its new capabilities include using pre-trained imputation methods out-of-the-box on custom datasets, running the full workflow of training or testing a baseline method with a single line of code, and comparing baseline methods in an interactive visualization tool. We released PyPulse under the MIT License on Github and PyPI. The source code can be found at: https://github.com/rehg-lab/pulseimpute.
Authors: George Kontogiannis, Pantelis Tzamalis, Sotiris Nikoletseas
Abstract: In the evolving domain of Human Activity Recognition (HAR) using Internet of Things (IoT) devices, there is an emerging interest in employing Deep Generative Models (DGMs) to address data scarcity, enhance data quality, and improve classification metrics scores. Among these types of models, Generative Adversarial Networks (GANs) have arisen as a powerful tool for generating synthetic data that mimic real-world scenarios with high fidelity. However, Human Gesture Recognition (HGR), a subset of HAR, particularly in healthcare applications, using time series data such as allergic gestures, remains highly unexplored. In this paper, we examine and evaluate the performance of two GANs in the generation of synthetic gesture motion data that compose a part of an open-source benchmark dataset. The data is related to the disease identification domain and healthcare, specifically to allergic rhinitis. We also focus on these AI models' performance in terms of fidelity, diversity, and privacy. Furthermore, we examine the scenario if the synthetic data can substitute real data, in training scenarios and how well models trained on synthetic data can be generalized for the allergic rhinitis gestures. In our work, these gestures are related to 6-axes accelerometer and gyroscope data, serving as multi-variate time series instances, and retrieved from smart wearable devices. To the best of our knowledge, this study is the first to explore the feasibility of synthesizing motion gestures for allergic rhinitis from wearable IoT device data using Generative Adversarial Networks (GANs) and testing their impact on the generalization of gesture recognition systems. It is worth noting that, even if our method has been applied to a specific category of gestures, it is designed to be generalized and can be deployed also to other motion data in the HGR domain.
Authors: Alberto Sinigaglia, Niccol\`o Turcato, Ruggero Carli, Gian Antonio Susto
Abstract: Deep Reinforcement Learning is gaining increasing attention thanks to its capability to learn complex policies in high-dimensional settings. Recent advancements utilize a dual-network architecture to learn optimal policies through the Q-learning algorithm. However, this approach has notable drawbacks, such as an overestimation bias that can disrupt the learning process and degrade the performance of the resulting policy. To address this, novel algorithms have been developed that mitigate overestimation bias by employing multiple Q-functions. Edge scenarios, which prioritize privacy, have recently gained prominence. In these settings, limited computational resources pose a significant challenge for complex Machine Learning approaches, making the efficiency of algorithms crucial for their performance. In this work, we introduce a novel Reinforcement Learning algorithm tailored for edge scenarios, called Edge Delayed Deep Deterministic Policy Gradient (EdgeD3). EdgeD3 enhances the Deep Deterministic Policy Gradient (DDPG) algorithm, achieving significantly improved performance with $25\%$ less Graphics Process Unit (GPU) time while maintaining the same memory usage. Additionally, EdgeD3 consistently matches or surpasses the performance of state-of-the-art methods across various benchmarks, all while using $30\%$ fewer computational resources and requiring $30\%$ less memory.
Authors: Bart Bussmann, Patrick Leask, Neel Nanda
Abstract: Sparse autoencoders (SAEs) have emerged as a powerful tool for interpreting language model activations by decomposing them into sparse, interpretable features. A popular approach is the TopK SAE, that uses a fixed number of the most active latents per sample to reconstruct the model activations. We introduce BatchTopK SAEs, a training method that improves upon TopK SAEs by relaxing the top-k constraint to the batch-level, allowing for a variable number of latents to be active per sample. As a result, BatchTopK adaptively allocates more or fewer latents depending on the sample, improving reconstruction without sacrificing average sparsity. We show that BatchTopK SAEs consistently outperform TopK SAEs in reconstructing activations from GPT-2 Small and Gemma 2 2B, and achieve comparable performance to state-of-the-art JumpReLU SAEs. However, an advantage of BatchTopK is that the average number of latents can be directly specified, rather than approximately tuned through a costly hyperparameter sweep. We provide code for training and evaluating BatchTopK SAEs at https://github.com/bartbussmann/BatchTopK
Authors: Junhe Zhang, Wanli Ni, Dongyu Wang
Abstract: As a paradigm of distributed machine learning, federated learning typically requires all edge devices to train a complete model locally. However, with the increasing scale of artificial intelligence models, the limited resources on edge devices often become a bottleneck for efficient fine-tuning. To address this challenge, federated split learning (FedSL) implements collaborative training across the edge devices and the server through model splitting. In this paper, we propose a lightweight FedSL scheme, that further alleviates the training burden on resource-constrained edge devices by pruning the client-side model dynamicly and using quantized gradient updates to reduce computation overhead. Additionally, we apply random dropout to the activation values at the split layer to reduce communication overhead. We conduct theoretical analysis to quantify the convergence performance of the proposed scheme. Finally, simulation results verify the effectiveness and advantages of the proposed lightweight FedSL in wireless network environments.
Authors: Marco Wrzalik, Adrian Ulges, Anne Uersfeld, Florian Faust
Abstract: We address the detection of emission reduction goals in corporate reports, an important task for monitoring companies' progress in addressing climate change. Specifically, we focus on the issue of integrating expert feedback in the form of labeled example passages into LLM-based pipelines, and compare the two strategies of (1) a dynamic selection of few-shot examples and (2) the automatic optimization of the prompt by the LLM itself. Our findings on a public dataset of 769 climate-related passages from real-world business reports indicate that automatic prompt optimization is the superior approach, while combining both methods provides only limited benefit. Qualitative results indicate that optimized prompts do indeed capture many intricacies of the targeted emission goal extraction task.
Authors: Nan Rosemary Ke, Danny P. Sawyer, Hubert Soyer, Martin Engelcke, David P Reichert, Drew A. Hudson, John Reid, Alexander Lerchner, Danilo Jimenez Rezende, Timothy P Lillicrap, Michael Mozer, Jane X Wang
Abstract: While problem solving is a standard evaluation task for foundation models, a crucial component of problem solving -- actively and strategically gathering information to test hypotheses -- has not been closely investigated. To assess the information gathering abilities of foundation models in interactive environments, we introduce a framework in which a model must determine the factors influencing a hidden reward function by iteratively reasoning about its previously gathered information and proposing its next exploratory action to maximize information gain at each step. We implement this framework in both a text-based environment, which offers a tightly controlled setting and enables high-throughput parameter sweeps, and in an embodied 3D environment, which requires addressing complexities of multi-modal interaction more relevant to real-world applications. We further investigate whether approaches such as self-correction and increased inference time improve information gathering efficiency. In a relatively simple task that requires identifying a single rewarding feature, we find that LLM's information gathering capability is close to optimal. However, when the model must identify a conjunction of rewarding features, performance is suboptimal. The hit in performance is due partly to the model translating task description to a policy and partly to the model's effectiveness in using its in-context memory. Performance is comparable in both text and 3D embodied environments, although imperfect visual object recognition reduces its accuracy in drawing conclusions from gathered information in the 3D embodied case. For single-feature-based rewards, we find that smaller models curiously perform better; for conjunction-based rewards, incorporating self correction into the model improves performance.
Authors: Yuanyuan Wang, Qian Song, Dawood Wasif, Muhammad Shahzad, Christoph Koller, Jonathan Bamber, Xiao Xiang Zhu
Abstract: Uncertainty quantification (UQ) is essential for assessing the reliability of Earth observation (EO) products. However, the extensive use of machine learning models in EO introduces an additional layer of complexity, as those models themselves are inherently uncertain. While various UQ methods do exist for machine learning models, their performance on EO datasets remains largely unevaluated. A key challenge in the community is the absence of the ground truth for uncertainty, i.e. how certain the uncertainty estimates are, apart from the labels for the image/signal. This article fills this gap by introducing three benchmark datasets specifically designed for UQ in EO machine learning models. These datasets address three common problem types in EO: regression, image segmentation, and scene classification. They enable a transparent comparison of different UQ methods for EO machine learning models. We describe the creation and characteristics of each dataset, including data sources, preprocessing steps, and label generation, with a particular focus on calculating the reference uncertainty. We also showcase baseline performance of several machine learning models on each dataset, highlighting the utility of these benchmarks for model development and comparison. Overall, this article offers a valuable resource for researchers and practitioners working in artificial intelligence for EO, promoting a more accurate and reliable quality measure of the outputs of machine learning models. The dataset and code are accessible via https://gitlab.lrz.de/ai4eo/WG_Uncertainty.
Authors: Kristina L. Kupferschmidt, James Requiema, Mya Simpson, Zohrah Varsallay, Ethan Jackson, Cody Kupferschmidt, Sara El-Shawa, Graham W. Taylor
Abstract: In this work, we address a lack of systematic understanding of fluctuations in food affordability in Canada. Canada's Food Price Report (CPFR) is an annual publication that predicts food inflation over the next calendar year. The published predictions are a collaborative effort between forecasting teams that each employ their own approach at Canadian Universities: Dalhousie University, the University of British Columbia, the University of Saskatchewan, and the University of Guelph/Vector Institute. While the University of Guelph/Vector Institute forecasting team has leveraged machine learning (ML) in previous reports, the most recent editions (2024--2025) have also included a human-in-the-loop approach. For the 2025 report, this focus was expanded to evaluate several different data-centric approaches to improve forecast accuracy. In this study, we evaluate how different types of forecasting models perform when estimating food price fluctuations. We also examine the sensitivity of models that curate time series data representing key factors in food pricing.
Authors: Catalin E. Brita, Stephan Bongers, Frans A. Oliehoek
Abstract: In offline reinforcement learning, deriving an effective policy from a pre-collected set of experiences is challenging due to the distribution mismatch between the target policy and the behavioral policy used to collect the data, as well as the limited sample size. Model-based reinforcement learning improves sample efficiency by generating simulated experiences using a learned dynamic model of the environment. However, these synthetic experiences often suffer from the same distribution mismatch. To address these challenges, we introduce SimuDICE, a framework that iteratively refines the initial policy derived from offline data using synthetically generated experiences from the world model. SimuDICE enhances the quality of these simulated experiences by adjusting the sampling probabilities of state-action pairs based on stationary DIstribution Correction Estimation (DICE) and the estimated confidence in the model's predictions. This approach guides policy improvement by balancing experiences similar to those frequently encountered with ones that have a distribution mismatch. Our experiments show that SimuDICE achieves performance comparable to existing algorithms while requiring fewer pre-collected experiences and planning steps, and it remains robust across varying data collection policies.
Authors: Francesco Cremonesi, Lucia Innocenti, Sebastien Ourselin, Vicky Goh, Michela Antonelli, Marco Lorenzi
Abstract: Background. Federated learning (FL) has gained wide popularity as a collaborative learning paradigm enabling collaborative AI in sensitive healthcare applications. Nevertheless, the practical implementation of FL presents technical and organizational challenges, as it generally requires complex communication infrastructures. In this context, consensus-based learning (CBL) may represent a promising collaborative learning alternative, thanks to the ability of combining local knowledge into a federated decision system, while potentially reducing deployment overhead. Methods. In this work we propose an extensive benchmark of the accuracy and cost-effectiveness of a panel of FL and CBL methods in a wide range of collaborative medical data analysis scenarios. The benchmark includes 7 different medical datasets, encompassing 3 machine learning tasks, 8 different data modalities, and multi-centric settings involving 3 to 23 clients. Findings. Our results reveal that CBL is a cost-effective alternative to FL. When compared across the panel of medical dataset in the considered benchmark, CBL methods provide equivalent accuracy to the one achieved by FL.Nonetheless, CBL significantly reduces training time and communication cost (resp. 15 fold and 60 fold decrease) (p < 0.05). Interpretation. This study opens a novel perspective on the deployment of collaborative AI in real-world applications, whereas the adoption of cost-effective methods is instrumental to achieve sustainability and democratisation of AI by alleviating the need for extensive computational resources.
Authors: Egor Cherepanov, Nikita Kachaev, Artem Zholus, Alexey K. Kovalev, Aleksandr I. Panov
Abstract: The incorporation of memory into agents is essential for numerous tasks within the domain of Reinforcement Learning (RL). In particular, memory is paramount for tasks that require the utilization of past information, adaptation to novel environments, and improved sample efficiency. However, the term ``memory'' encompasses a wide range of concepts, which, coupled with the lack of a unified methodology for validating an agent's memory, leads to erroneous judgments about agents' memory capabilities and prevents objective comparison with other memory-enhanced agents. This paper aims to streamline the concept of memory in RL by providing practical precise definitions of agent memory types, such as long-term versus short-term memory and declarative versus procedural memory, inspired by cognitive science. Using these definitions, we categorize different classes of agent memory, propose a robust experimental methodology for evaluating the memory capabilities of RL agents, and standardize evaluations. Furthermore, we empirically demonstrate the importance of adhering to the proposed methodology when evaluating different types of agent memory by conducting experiments with different RL agents and what its violation leads to.
Authors: Eshaan Nichani, Jason D. Lee, Alberto Bietti
Abstract: Large language models have demonstrated an impressive ability to perform factual recall. Prior work has found that transformers trained on factual recall tasks can store information at a rate proportional to their parameter count. In our work, we show that shallow transformers can use a combination of associative memories to obtain such near optimal storage capacity. We begin by proving that the storage capacities of both linear and MLP associative memories scale linearly with parameter count. We next introduce a synthetic factual recall task, and prove that a transformer with a single layer of self-attention followed by an MLP can obtain 100% accuracy on the task whenever either the total number of self-attention parameters or MLP parameters scales (up to log factors) linearly with the number of facts. In particular, the transformer can trade off between using the value matrices or the MLP as an associative memory to store the dataset of facts. We complement these expressivity results with an analysis of the gradient flow trajectory of a simplified linear attention model trained on our factual recall task, where we show that the model exhibits sequential learning behavior.
Authors: Felipe Maia Polo, Seamus Somerstep, Leshem Choshen, Yuekai Sun, Mikhail Yurochkin
Abstract: Scaling laws for large language models (LLMs) predict model performance based on parameters like size and training data. However, differences in training configurations and data processing across model families lead to significant variations in benchmark performance, making it difficult for a single scaling law to generalize across all LLMs. On the other hand, training family-specific scaling laws requires training models of varying sizes for every family. In this work, we propose Skills Scaling Laws (SSLaws, pronounced as Sloth), a novel scaling law that leverages publicly available benchmark data and assumes LLM performance is driven by low-dimensional latent skills, such as reasoning and instruction following. These latent skills are influenced by computational resources like model size and training tokens but with varying efficiencies across model families. Sloth exploits correlations across benchmarks to provide more accurate and interpretable predictions while alleviating the need to train multiple LLMs per family. We present both theoretical results on parameter identification and empirical evaluations on 12 prominent benchmarks, from Open LLM Leaderboard v1/v2, demonstrating that Sloth predicts LLM performance efficiently and offers insights into scaling behaviors for downstream tasks such as coding and emotional intelligence applications.
Authors: William T. Redman, Zhangyang Wang, Alessandro Ingrosso, Sebastian Goldt
Abstract: Since its use in the Lottery Ticket Hypothesis, iterative magnitude pruning (IMP) has become a popular method for extracting sparse subnetworks that can be trained to high performance. Despite this, the underlying nature of IMP's general success remains unclear. One possibility is that IMP is especially capable of extracting and maintaining strong inductive biases. In support of this, recent work has shown that applying IMP to fully connected neural networks (FCNs) leads to the emergence of local receptive fields (RFs), an architectural feature present in mammalian visual cortex and convolutional neural networks. The question of how IMP is able to do this remains unanswered. Inspired by results showing that training FCNs on synthetic images with highly non-Gaussian statistics (e.g., sharp edges) is sufficient to drive the formation of local RFs, we hypothesize that IMP iteratively maximizes the non-Gaussian statistics present in the representations of FCNs, creating a feedback loop that enhances localization. We develop a new method for measuring the effect of individual weights on the statistics of the FCN representations ("cavity method"), which allows us to find evidence in support of this hypothesis. Our work, which is the first to study the effect IMP has on the representations of neural networks, sheds parsimonious light one way in which IMP can drive the formation of strong inductive biases.
Authors: Fernando Paulovich, Alessio Arleo, Stef van den Elzen
Abstract: In the vast landscape of visualization research, Dimensionality Reduction (DR) and graph analysis are two popular subfields, often essential to most visual data analytics setups. DR aims to create representations to support neighborhood and similarity analysis on complex, large datasets. Graph analysis focuses on identifying the salient topological properties and key actors within networked data, with specialized research on investigating how such features could be presented to the user to ease the comprehension of the underlying structure. Although these two disciplines are typically regarded as disjoint subfields, we argue that both fields share strong similarities and synergies that can potentially benefit both. Therefore, this paper discusses and introduces a unifying framework to help bridge the gap between DR and graph (drawing) theory. Our goal is to use the strongly math-grounded graph theory to improve the overall process of creating DR visual representations. We propose how to break the DR process into well-defined stages, discussing how to match some of the DR state-of-the-art techniques to this framework and presenting ideas on how graph drawing, topology features, and some popular algorithms and strategies used in graph analysis can be employed to improve DR topology extraction, embedding generation, and result validation. We also discuss the challenges and identify opportunities for implementing and using our framework, opening directions for future visualization research.
Authors: Taesik Gong, Fahim Kawsar, Chulhong Min
Abstract: Tiny machine learning (TinyML) aims to run ML models on small devices and is increasingly favored for its enhanced privacy, reduced latency, and low cost. Recently, the advent of tiny AI accelerators has revolutionized the TinyML field by significantly enhancing hardware processing power. These accelerators, equipped with multiple parallel processors and dedicated per-processor memory instances, offer substantial performance improvements over traditional microcontroller units (MCUs). However, their limited data memory often necessitates downsampling input images, resulting in accuracy degradation. To address this challenge, we propose Data channel EXtension (DEX), a novel approach for efficient CNN execution on tiny AI accelerators. DEX incorporates additional spatial information from original images into input images through patch-wise even sampling and channel-wise stacking, effectively extending data across input channels. By leveraging underutilized processors and data memory for channel extension, DEX facilitates parallel execution without increasing inference latency. Our evaluation with four models and four datasets on tiny AI accelerators demonstrates that this simple idea improves accuracy on average by 3.5%p while keeping the inference latency the same on the AI accelerator. The source code is available at https://github.com/Nokia-Bell-Labs/data-channel-extension.
URLs: https://github.com/Nokia-Bell-Labs/data-channel-extension.
Authors: Yanyong Huang, Yuxin Cai, Dongjie Wang, Xiuwen Yi, Tianrui Li
Abstract: The objective of multi-view unsupervised feature and instance co-selection is to simultaneously iden-tify the most representative features and samples from multi-view unlabeled data, which aids in mit-igating the curse of dimensionality and reducing instance size to improve the performance of down-stream tasks. However, existing methods treat feature selection and instance selection as two separate processes, failing to leverage the potential interactions between the feature and instance spaces. Addi-tionally, previous co-selection methods for multi-view data require concatenating different views, which overlooks the consistent information among them. In this paper, we propose a CONsistency and DivErsity learNing-based multi-view unsupervised Feature and Instance co-selection (CONDEN-FI) to address the above-mentioned issues. Specifically, CONDEN-FI reconstructs mul-ti-view data from both the sample and feature spaces to learn representations that are consistent across views and specific to each view, enabling the simultaneous selection of the most important features and instances. Moreover, CONDEN-FI adaptively learns a view-consensus similarity graph to help select both dissimilar and similar samples in the reconstructed data space, leading to a more diverse selection of instances. An efficient algorithm is developed to solve the resultant optimization problem, and the comprehensive experimental results on real-world datasets demonstrate that CONDEN-FI is effective compared to state-of-the-art methods.
Authors: Nithia Vijayan, Bryan Kian Hsiang Low
Abstract: We propose a framework for adaptive data-centric collaborative learning among self-interested agents, coordinated by an arbiter. Designed to handle the incremental nature of real-world data, the framework operates in an online manner: at each step, the arbiter collects a batch of data from agents, trains a machine learning model, and provides each agent with a distinct model reflecting its data contributions. This setup establishes a feedback loop where shared data influence model updates, and the resulting models guide future data-sharing strategies. Agents evaluate and partition their data, selecting a partition to share using a stochastic parameterized policy optimized via policy gradient methods to optimize the utility of the received model as defined by agent-specific evaluation functions. On the arbiter side, the expected loss function over the true data distribution is optimized, incorporating agent-specific weights to account for distributional differences arising from diverse sources and selective sharing. A bilevel optimization algorithm jointly learns the model parameters and agent-specific weights. Mean-zero noise, computed using a distortion function that adjusts these agent-specific weights, is introduced to generate distinct agent-specific models, promoting valuable data sharing without requiring separate training. Our framework is underpinned by non-asymptotic analyses, ensuring convergence of the agent-side policy optimization to an approximate stationary point of the evaluation functions and convergence of the arbiter-side optimization to an approximate stationary point of the expected loss function.
Authors: Ya\c{s}ar Cahit Y{\i}ld{\i}r{\i}m, Efe Mert Karag\"ozl\"u, \.Ilter Onat Korkmaz, \c{C}a\u{g}{\i}n Ararat, Cem Tekin
Abstract: We introduce VOPy, an open-source Python library designed to address black-box vector optimization, where multiple objectives must be optimized simultaneously with respect to a partial order induced by a convex cone. VOPy extends beyond traditional multi-objective optimization (MOO) tools by enabling flexible, cone-based ordering of solutions; with an application scope that includes environments with observation noise, discrete or continuous design spaces, limited budgets, and batch observations. VOPy provides a modular architecture, facilitating the integration of existing methods and the development of novel algorithms. We detail VOPy's architecture, usage, and potential to advance research and application in the field of vector optimization. The source code for VOPy is available at https://github.com/Bilkent-CYBORG/VOPy.
Authors: Jhih-Yi (Janet), Hsieh, Aditi Raghunathan, Nihar B. Shah
Abstract: In the peer review process of top-tier machine learning (ML) and artificial intelligence (AI) conferences, reviewers are assigned to papers through automated methods. These assignment algorithms consider two main factors: (1) reviewers' expressed interests indicated by their bids for papers, and (2) reviewers' domain expertise inferred from the similarity between the text of their previously published papers and the submitted manuscripts. A significant challenge these conferences face is the existence of collusion rings, where groups of researchers manipulate the assignment process to review each other's papers, providing positive evaluations regardless of their actual quality. Most efforts to combat collusion rings have focused on preventing bid manipulation, under the assumption that the text similarity component is secure. In this paper, we demonstrate that even in the absence of bidding, colluding reviewers and authors can exploit the machine learning based text-matching component of reviewer assignment used at top ML/AI venues to get assigned their target paper. We also highlight specific vulnerabilities within this system and offer suggestions to enhance its robustness.
Authors: Javier Abad, Konstantin Donhauser, Francesco Pinto, Fanny Yang
Abstract: The risk of language models reproducing copyrighted material from their training data has led to the development of various protective measures. Among these, inference-time strategies that impose constraints via post-processing have shown promise in addressing the complexities of copyright regulation. However, they often incur prohibitive computational costs or suffer from performance trade-offs. To overcome these limitations, we introduce Copyright-Protecting Model Fusion (CP-Fuse), a novel approach that combines models trained on disjoint sets of copyrighted material during inference. In particular, CP-Fuse adaptively aggregates the model outputs to minimize the reproduction of copyrighted content, adhering to a crucial balancing property that prevents the regurgitation of memorized data. Through extensive experiments, we show that CP-Fuse significantly reduces the reproduction of protected material without compromising the quality of text and code generation. Moreover, its post-hoc nature allows seamless integration with other protective measures, further enhancing copyright safeguards. Lastly, we show that CP-Fuse is robust against common techniques for extracting training data.
Authors: Adrien Bolland, Gaspard Lambrechts, Damien Ernst
Abstract: We introduce a new maximum entropy reinforcement learning framework based on the distribution of states and actions visited by a policy. More precisely, an intrinsic reward function is added to the reward function of the Markov decision process that shall be controlled. For each state and action, this intrinsic reward is the relative entropy of the discounted distribution of states and actions (or features from these states and actions) visited during the next time steps. We first prove that an optimal exploration policy, which maximizes the expected discounted sum of intrinsic rewards, is also a policy that maximizes a lower bound on the state-action value function of the decision process under some assumptions. We also prove that the visitation distribution used in the intrinsic reward definition is the fixed point of a contraction operator. Following, we describe how to adapt existing algorithms to learn this fixed point and compute the intrinsic rewards to enhance exploration. A new practical off-policy maximum entropy reinforcement learning algorithm is finally introduced. Empirically, exploration policies have good state-action space coverage, and high-performing control policies are computed efficiently.
Authors: Roi Cohen, Konstantin Dobler, Eden Biran, Gerard de Melo
Abstract: Large Language Models are known to capture real-world knowledge, allowing them to excel in many downstream tasks. Despite recent advances, these models are still prone to what are commonly known as hallucinations, causing them to emit unwanted and factually incorrect text. In this work, we propose a novel calibration method that can be used to combat hallucinations. We add a special [IDK] ("I don't know") token to the model's vocabulary and introduce an objective function that shifts probability mass to the [IDK] token for incorrect predictions. This approach allows the model to express uncertainty in its output explicitly. We evaluate our proposed method across multiple model architectures and factual downstream tasks. We find that models trained with our method are able to express uncertainty in places where they would previously make mistakes while suffering only a small loss of encoded knowledge. We further perform extensive ablation studies of multiple variations of our approach and provide a detailed analysis of the precision-recall tradeoff of our method.
Authors: Weichao Xu, Huaxin Pei, Jingxuan Yang, Yuchen Shi, Yi Zhang
Abstract: Recent years have witnessed surprising achievements of decision-making policies across various fields, such as autonomous driving and robotics. Testing for decision-making policies is crucial with the existence of critical scenarios that may threaten their reliability. Numerous research efforts have been dedicated to testing these policies. However, there are still significant challenges, such as low testing efficiency and diversity due to the complexity of the policies and environments under test. Inspired by the remarkable capabilities of large language models (LLMs), in this paper, we propose an LLM-driven online testing framework for efficiently testing decision-making policies. The main idea is to employ an LLM-based test scenario generator to intelligently generate challenging test cases through contemplation and reasoning. Specifically, we first design a "generate-test-feedback" pipeline and apply templated prompt engineering to fully leverage the knowledge and reasoning abilities of LLMs. Then, we introduce a multi-scale scenario generation strategy to address the inherent challenges LLMs face in making fine adjustments, further enhancing testing efficiency. Finally, we evaluate the LLM-driven approach on five widely used benchmarks. The experimental results demonstrate that our method significantly outperforms baseline approaches in uncovering both critical and diverse scenarios.
Authors: Max Sobol Mark, Tian Gao, Georgia Gabriela Sampaio, Mohan Kumar Srirama, Archit Sharma, Chelsea Finn, Aviral Kumar
Abstract: Recent advances in learning decision-making policies can largely be attributed to training expressive policy models, largely via imitation learning. While imitation learning discards non-expert data, reinforcement learning (RL) can still learn from suboptimal data. However, instantiating RL training of a new policy class often presents a different challenge: most deep RL machinery is co-developed with assumptions on the policy class and backbone, resulting in poor performance when the policy class changes. For instance, SAC utilizes a low-variance reparameterization policy gradient for Gaussian policies, but this is unstable for diffusion policies and intractable for autoregressive categorical policies. To address this issue, we develop an offline RL and online fine-tuning approach called policy-agnostic RL (PA-RL) that can effectively train multiple policy classes, with varying architectures and sizes. We build off the basic idea that a universal supervised learning loss can replace the policy improvement step in RL, as long as it is applied on "optimized" actions. To obtain these optimized actions, we first sample multiple actions from a base policy, and run global optimization (i.e., re-ranking multiple action samples using the Q-function) and local optimization (i.e., running gradient steps on an action sample) to maximize the critic on these candidates. PA-RL enables fine-tuning diffusion and transformer policies with either autoregressive tokens or continuous action outputs, at different sizes, entirely via actor-critic RL. Moreover, PA-RL improves the performance and sample-efficiency by up to 2 times compared to existing offline RL and online fine-tuning methods. We show the first result that successfully fine-tunes OpenVLA, a 7B generalist robot policy, autonomously with Cal-QL, an online RL fine-tuning algorithm, improving from 40% to 70% in the real world in 40 minutes.
Authors: Dustin Enyeart, Guang Lin
Abstract: Hyperparameters searches are computationally expensive. This paper studies some general choices of hyperparameters and training methods specifically for operator learning. It considers the architectures DeepONets, Fourier neural operators and Koopman autoencoders for several differential equations to find robust trends. Some options considered are activation functions, dropout and stochastic weight averaging.
Authors: Basanta Chaulagain
Abstract: The project aims to develop differentially private deep learning models for image classification on CIFAR-10 datasets \cite{cifar10} and analyze the impact of various privacy parameters on model accuracy. We have implemented five different deep learning models, namely ConvNet, ResNet18, EfficientNet, ViT, and DenseNet121 and three supervised classifiers namely K-Nearest Neighbors, Naive Bayes Classifier and Support Vector Machine. We evaluated the performance of these models under varying settings. Our best performing model to date is EfficientNet with test accuracy of $59.63\%$ with the following parameters (Adam optimizer, batch size 256, epoch size 100, epsilon value 5.0, learning rate $1e-3$, clipping threshold 1.0, and noise multiplier 0.912).
Authors: Bar Genossar, Thinh On, Md. Mouinul Islam, Ben Eliav, Senjuti Basu Roy, Avigdor Gal
Abstract: We investigate the problem of selecting features for datasets that can be naturally partitioned into subgroups (e.g., according to socio-demographic groups and age), each with its own dominant set of features. Within this subgroup-oriented framework, we address the challenge of systematic missing data, a scenario in which some feature values are missing for all tuples of a subgroup, due to flawed data integration, regulatory constraints, or privacy concerns. Feature selection is governed by finding mutual Information, a popular quantification of correlation, between features and a target variable. Our goal is to identify top-K feature subsets of some fixed size with the highest joint mutual information with a target variable. In the presence of systematic missing data, the closed form of mutual information could not simply be applied. We argue that in such a setting, leveraging relationships between available feature mutual information within a subgroup or across subgroups can assist inferring missing mutual information values. We propose a generalizable model based on heterogeneous graph neural network to identify interdependencies between feature-subgroup-target variable connections by modeling it as a multiplex graph, and employing information propagation between its nodes. We address two distinct scalability challenges related to training and propose principled solutions to tackle them. Through an extensive empirical evaluation, we demonstrate the efficacy of the proposed solutions both qualitatively and running time wise.
Authors: Sebastian Dziadzio, Vishaal Udandarao, Karsten Roth, Ameya Prabhu, Zeynep Akata, Samuel Albanie, Matthias Bethge
Abstract: Model merging combines multiple expert models - finetuned from a base foundation model on diverse tasks and domains - into a single, more capable model. However, most existing model merging approaches assume that all experts are available simultaneously. In reality, new tasks and domains emerge progressively over time, requiring strategies to integrate the knowledge of expert models as they become available: a process we call temporal model merging. The temporal dimension introduces unique challenges not addressed in prior work, raising new questions such as: when training for a new task, should the expert model start from the merged past experts or from the original base model? Should we merge all models at each time step? Which merging techniques are best suited for temporal merging? Should different strategies be used to initialize the training and deploy the model? To answer these questions, we propose a unified framework called TIME - Temporal Integration of Model Expertise - which defines temporal model merging across three axes: (1) Initialization Phase, (2) Deployment Phase, and (3) Merging Technique. Using TIME, we study temporal model merging across model sizes, compute budgets, and learning horizons on the FoMo-in-Flux benchmark. Our comprehensive suite of experiments across TIME allows us to uncover key insights for temporal model merging, offering a better understanding of current challenges and best practices for effective temporal model merging.
Authors: Adhiraj Ghosh, Sebastian Dziadzio, Ameya Prabhu, Vishaal Udandarao, Samuel Albanie, Matthias Bethge
Abstract: Traditional fixed test sets fall short in evaluating open-ended capabilities of foundation models. To address this, we propose ONEBench(OpeN-Ended Benchmarking), a new testing paradigm that consolidates individual evaluation datasets into a unified, ever-expanding sample pool. ONEBench allows users to generate custom, open-ended evaluation benchmarks from this pool, corresponding to specific capabilities of interest. By aggregating samples across test sets, ONEBench enables the assessment of diverse capabilities beyond those covered by the original test sets, while mitigating overfitting and dataset bias. Most importantly, it frames model evaluation as a collective process of selecting and aggregating sample-level tests. The shift from task-specific benchmarks to ONEBench introduces two challenges: (1)heterogeneity and (2)incompleteness. Heterogeneity refers to the aggregation over diverse metrics, while incompleteness describes comparing models evaluated on different data subsets. To address these challenges, we explore algorithms to aggregate sparse measurements into reliable model scores. Our aggregation algorithm ensures identifiability(asymptotically recovering ground-truth scores) and rapid convergence, enabling accurate model ranking with less data. On homogenous datasets, we show our aggregation algorithm provides rankings that highly correlate with those produced by average scores. We also demonstrate robustness to ~95% of measurements missing, reducing evaluation cost by up to 20x with little-to-no change in model rankings. We introduce ONEBench-LLM for language models and ONEBench-LMM for vision-language models, unifying evaluations across these domains. Overall, we present a technique for open-ended evaluation, which can aggregate over incomplete, heterogeneous sample-level measurements to continually grow a benchmark alongside the rapidly developing foundation models.
Authors: Neel Jain, Aditya Shrivastava, Chenyang Zhu, Daben Liu, Alfy Samuel, Ashwinee Panda, Anoop Kumar, Micah Goldblum, Tom Goldstein
Abstract: A key component of building safe and reliable language models is enabling the models to appropriately refuse to follow certain instructions or answer certain questions. We may want models to output refusal messages for various categories of user queries, for example, ill-posed questions, instructions for committing illegal acts, or queries which require information past the model's knowledge horizon. Engineering models that refuse to answer such questions is complicated by the fact that an individual may want their model to exhibit varying levels of sensitivity for refusing queries of various categories, and different users may want different refusal rates. The current default approach involves training multiple models with varying proportions of refusal messages from each category to achieve the desired refusal rates, which is computationally expensive and may require training a new model to accommodate each user's desired preference over refusal rates. To address these challenges, we propose refusal tokens, one such token for each refusal category or a single refusal token, which are prepended to the model's responses during training. We then show how to increase or decrease the probability of generating the refusal token for each category during inference to steer the model's refusal behavior. Refusal tokens enable controlling a single model's refusal rates without the need of any further fine-tuning, but only by selectively intervening during generation.
Authors: Julian Junyan Wang, Victor Xiaoqi Wang
Abstract: Unequal access to costly datasets essential for empirical research has long hindered researchers from disadvantaged institutions, limiting their ability to contribute to their fields and advance their careers. Recent breakthroughs in Large Language Models (LLMs) have the potential to democratize data access by automating data collection from unstructured sources. We develop and evaluate a novel methodology using GPT-4o-mini within a Retrieval-Augmented Generation (RAG) framework to collect data from corporate disclosures. Our approach achieves human-level accuracy in collecting CEO pay ratios from approximately 10,000 proxy statements and Critical Audit Matters (CAMs) from more than 12,000 10-K filings, with LLM processing times of 9 and 40 minutes respectively, each at a cost under $10. This stands in stark contrast to the hundreds of hours needed for manual collection or the thousands of dollars required for commercial database subscriptions. To foster a more inclusive research community by empowering researchers with limited resources to explore new avenues of inquiry, we share our methodology and the resulting datasets.
Authors: Nidhish Shah, Zulkuf Genc, Dogu Araci
Abstract: We present two comprehensive benchmarks to evaluate the performance of language models in coding assistance tasks, covering code writing, debugging, code review, and conceptual understanding. Our main contribution includes two curated datasets: StackEval, a large-scale benchmark derived from Stack Overflow questions, and StackUnseen, a dynamic benchmark featuring the most recent Stack Overflow content. These benchmarks offer novel insights into the capabilities and limitations of LLMs, particularly in handling new and emerging content. Additionally, we assess LLMs' proficiency as judges for coding tasks using a curated, human-annotated dataset, exploring their evaluation capabilities and potential biases, including whether they favor their own generated solutions. Our findings underscore the potential of these benchmarks to advance LLM development and application in coding assistance. To ensure reproducibility, we publicly share our datasets and evaluation code at https://github.com/ProsusAI/stack-eval .
Authors: Jiankang Chen, Tong Zhang, Wei-Shi Zheng, Ruixuan Wang
Abstract: Out-of-distribution (OOD) detection is crucial in many real-world applications. However, intelligent models are often trained solely on in-distribution (ID) data, leading to overconfidence when misclassifying OOD data as ID classes. In this study, we propose a new learning framework which leverage simple Jigsaw-based fake OOD data and rich semantic embeddings (`anchors') from the ChatGPT description of ID knowledge to help guide the training of the image encoder. The learning framework can be flexibly combined with existing post-hoc approaches to OOD detection, and extensive empirical evaluations on multiple OOD detection benchmarks demonstrate that rich textual representation of ID knowledge and fake OOD knowledge can well help train a visual encoder for OOD detection. With the learning framework, new state-of-the-art performance was achieved on all the benchmarks. The code is available at \url{https://github.com/Cverchen/TagFog}.
Authors: Jiankang Chen, Ling Deng, Zhiyong Gan, Wei-Shi Zheng, Ruixuan Wang
Abstract: Out-of-Distribution (OOD) detection is crucial when deploying machine learning models in open-world applications. The core challenge in OOD detection is mitigating the model's overconfidence on OOD data. While recent methods using auxiliary outlier datasets or synthesizing outlier features have shown promising OOD detection performance, they are limited due to costly data collection or simplified assumptions. In this paper, we propose a novel OOD detection framework FodFoM that innovatively combines multiple foundation models to generate two types of challenging fake outlier images for classifier training. The first type is based on BLIP-2's image captioning capability, CLIP's vision-language knowledge, and Stable Diffusion's image generation ability. Jointly utilizing these foundation models constructs fake outlier images which are semantically similar to but different from in-distribution (ID) images. For the second type, GroundingDINO's object detection ability is utilized to help construct pure background images by blurring foreground ID objects in ID images. The proposed framework can be flexibly combined with multiple existing OOD detection methods. Extensive empirical evaluations show that image classifiers with the help of constructed fake images can more accurately differentiate real OOD images from ID ones. New state-of-the-art OOD detection performance is achieved on multiple benchmarks. The code is available at \url{https://github.com/Cverchen/ACMMM2024-FodFoM}.
Authors: Mingjing Li, Huihui Zhou, Xiaofeng Xu, Zhiwei Zhong, Puli Quan, Xueke Zhu, Yanyu Lin, Wenjie Lin, Hongyu Guo, Junchao Zhang, Yunhao Ma, Wei Wang, Zhengyu Ma, Guoqi Li, Xiaoxin Cui, Yonghong Tian
Abstract: There is a growing necessity for edge training to adapt to dynamically changing environment. Neuromorphic computing represents a significant pathway for high-efficiency intelligent computation in energy-constrained edges, but existing neuromorphic architectures lack the ability of directly training spiking neural networks (SNNs) based on backpropagation. We develop a multi-core neuromorphic architecture with Feedforward-Propagation, Back-Propagation, and Weight-Gradient engines in each core, supporting high efficient parallel computing at both the engine and core levels. It combines various data flows and sparse computation optimization by fully leveraging the sparsity in SNN training, obtaining a high energy efficiency of 1.05TFLOPS/W@ FP16 @ 28nm, 55 ~ 85% reduction of DRAM access compared to A100 GPU in SNN trainings, and a 20-core deep SNN training and a 5-worker federated learning on FPGAs. Our study develops the first multi-core neuromorphic architecture supporting the direct SNN training, facilitating the neuromorphic computing in edge-learnable applications.
Authors: H. Jahani, F. Zamio
Abstract: Clustering algorithms are fundamental in data analysis, enabling the organization of data into meaningful groups. However, individual clustering methods often face limitations and biases, making it challenging to develop a universal solution for diverse datasets. To address this, we propose a novel clustering framework that combines the Minimum Description Length (MDL) principle with a genetic optimization algorithm. This approach begins with an ensemble clustering solution as a baseline, which is refined using MDL-based evaluation functions and optimized with a genetic algorithm. By leveraging the MDL principle, the method adapts to the intrinsic properties of datasets, minimizing dependence on input clusters and ensuring a data-driven process. The proposed method was evaluated on thirteen benchmark datasets using four validation metrics: accuracy, normalized mutual information (NMI), Fisher score, and adjusted Rand index (ARI). Results show that the method consistently outperforms traditional clustering algorithms, achieving higher accuracy, greater stability, and reduced biases. Its adaptability makes it a reliable tool for clustering complex and varied datasets. This study demonstrates the potential of combining MDL and genetic optimization to create a robust and versatile clustering framework, advancing the field of data analysis and offering a scalable solution for diverse applications.
Authors: Ahmed Jaafar, Shreyas Sundara Raman, Yichen Wei, Sofia Juliani, Anneke Wernerfelt, Benedict Quartey, Ifrah Idrees, Jason Xinyu Liu, Stefanie Tellex
Abstract: As robots that follow natural language become more capable and prevalent, we need a benchmark to holistically develop and evaluate their ability to solve long-horizon mobile manipulation tasks in large, diverse environments. To tackle this challenge, robots must use visual and language understanding, navigation, and manipulation capabilities. Existing datasets do not integrate all these aspects, restricting their efficacy as benchmarks. To address this gap, we present the Language, Navigation, Manipulation, Perception (LaNMP, pronounced Lamp) dataset and demonstrate the benefits of integrating these four capabilities and various modalities. LaNMP comprises 574 trajectories across eight simulated and real-world environments for long-horizon room-to-room pick-and-place tasks specified by natural language. Every trajectory consists of over 20 attributes, including RGB-D images, segmentations, and the poses of the robot body, end-effector, and grasped objects. We fine-tuned and tested two models in simulation, and evaluated a third on a physical robot, to demonstrate the benchmark's applicability in development and evaluation, as well as making models more sample efficient. The models performed suboptimally compared to humans; however, showed promise in increasing model sample efficiency, indicating significant room for developing more sample efficient multimodal mobile manipulation models using our benchmark.
Authors: Omar Ghazal, Wei Wang, Shahar Kvatinsky, Farhad Merchant, Alex Yakovlev, Rishad Shafik
Abstract: The increasing demand for processing large volumes of data for machine learning models has pushed data bandwidth requirements beyond the capability of traditional von Neumann architecture. In-memory computing (IMC) has recently emerged as a promising solution to address this gap by enabling distributed data storage and processing at the micro-architectural level, significantly reducing both latency and energy. In this paper, we present the IMPACT: InMemory ComPuting Architecture Based on Y-FlAsh Technology for Coalesced Tsetlin Machine Inference, underpinned on a cutting-edge memory device, Y-Flash, fabricated on a 180 nm CMOS process. Y-Flash devices have recently been demonstrated for digital and analog memory applications, offering high yield, non-volatility, and low power consumption. The IMPACT leverages the Y-Flash array to implement the inference of a novel machine learning algorithm: coalesced Tsetlin machine (CoTM) based on propositional logic. CoTM utilizes Tsetlin automata (TA) to create Boolean feature selections stochastically across parallel clauses. The IMPACT is organized into two computational crossbars for storing the TA and weights. Through validation on the MNIST dataset, IMPACT achieved 96.3% accuracy. The IMPACT demonstrated improvements in energy efficiency, e.g., 2.23X over CNN-based ReRAM, 2.46X over Neuromorphic using NOR-Flash, and 2.06X over DNN-based PCM, suited for modern ML inference applications.
Authors: D. Cerrone, D. Riccobelli, P. Vitullo, F. Ballarin, J. Falco, F. Acerbi, A. Manzoni, P. Zunino, P. Ciarletta
Abstract: Glioblastoma (GBL) is one of the deadliest brain cancers in adults. The GBL cells invade the physical structures within the brain extracellular environment with patient-specific features. In this work, we propose a proof-of-concept for mathematical framework of precision oncology enabling rapid parameter estimation from neuroimaging data in clinical settings. The proposed diffuse interface model of GBL growth is informed by neuroimaging data, periodically collected in a clinical study from diagnosis to surgery and adjuvant treatment. We build a robust and efficient computational pipeline to aid clinical decision-making based on integrating model reduction techniques and neural networks. Patient specificity is captured through the segmentation of the magnetic resonance imaging into a computational replica of the patient brain, mimicking the brain microstructure by incorporating also the diffusion tensor imaging data. The full order model (FOM) is first discretized using the finite element method and later approximated by a reduced order model (ROM) adopting proper orthogonal decomposition (POD). Trained by clinical data, we finally use neural networks to map the parameter space of GBL evolution over time and to predict the patient-specific model parameters from the observed clinical evolution of the tumor mass.
Authors: Subash Katel, Haoyang Li, Zihan Zhao, Raghav Kansal, Farouk Mokhtar, Javier Duarte
Abstract: In high energy physics, self-supervised learning (SSL) methods have the potential to aid in the creation of machine learning models without the need for labeled datasets for a variety of tasks, including those related to jets -- narrow sprays of particles produced by quarks and gluons in high energy particle collisions. This study introduces an approach to learning jet representations without hand-crafted augmentations using a jet-based joint embedding predictive architecture (J-JEPA), which aims to predict various physical targets from an informative context. As our method does not require hand-crafted augmentation like other common SSL techniques, J-JEPA avoids introducing biases that could harm downstream tasks. Since different tasks generally require invariance under different augmentations, this training without hand-crafted augmentation enables versatile applications, offering a pathway toward a cross-task foundation model. We finetune the representations learned by J-JEPA for jet tagging and benchmark them against task-specific representations.
Authors: Hidehisa Arai, Keishi Ishihara, Tsubasa Takahashi, Yu Yamaguchi
Abstract: World models have emerged as promising neural simulators for autonomous driving, with the potential to supplement scarce real-world data and enable closed-loop evaluations. However, current research primarily evaluates these models based on visual realism or downstream task performance, with limited focus on fidelity to specific action instructions - a crucial property for generating targeted simulation scenes. Although some studies address action fidelity, their evaluations rely on closed-source mechanisms, limiting reproducibility. To address this gap, we develop an open-access evaluation framework, ACT-Bench, for quantifying action fidelity, along with a baseline world model, Terra. Our benchmarking framework includes a large-scale dataset pairing short context videos from nuScenes with corresponding future trajectory data, which provides conditional input for generating future video frames and enables evaluation of action fidelity for executed motions. Furthermore, Terra is trained on multiple large-scale trajectory-annotated datasets to enhance action fidelity. Leveraging this framework, we demonstrate that the state-of-the-art model does not fully adhere to given instructions, while Terra achieves improved action fidelity. All components of our benchmark framework will be made publicly available to support future research.
Authors: Junno Yun, Mehmet Ak\c{c}akaya
Abstract: Infrared (IR) imaging is commonly used in various scenarios, including autonomous driving, fire safety and defense applications. Thus, semantic segmentation of such images is of great interest. However, this task faces several challenges, including data scarcity, differing contrast and input channel number compared to natural images, and emergence of classes not represented in databases in certain scenarios, such as defense applications. Few-shot segmentation (FSS) provides a framework to overcome these issues by segmenting query images using a few labeled support samples. However, existing FSS models for IR images require paired visible RGB images, which is a major limitation since acquiring such paired data is difficult or impossible in some applications. In this work, we develop new strategies for FSS of IR images by using generative modeling and fusion techniques. To this end, we propose to synthesize auxiliary data to provide additional channel information to complement the limited contrast in the IR images, as well as IR data synthesis for data augmentation. Here, the former helps the FSS model to better capture the relationship between the support and query sets, while the latter addresses the issue of data scarcity. Finally, to further improve the former aspect, we propose a novel fusion ensemble module for integrating the two different modalities. Our methods are evaluated on different IR datasets, and improve upon the state-of-the-art (SOTA) FSS models.
Authors: Ung Hwang, Chang-Hun Lee, Kijung Yoon
Abstract: Osteoporosis is a widespread and chronic metabolic bone disease that often remains undiagnosed and untreated due to limited access to bone mineral density (BMD) tests like Dual-energy X-ray absorptiometry (DXA). In response to this challenge, current advancements are pivoting towards detecting osteoporosis by examining alternative indicators from peripheral bone areas, with the goal of increasing screening rates without added expenses or time. In this paper, we present a method to predict osteoporosis using hand and wrist X-ray images, which are both widely accessible and affordable, though their link to DXA-based data is not thoroughly explored. We employ a sophisticated image segmentation model that utilizes a mixture of probabilistic U-Net decoders, specifically designed to capture predictive uncertainty in the segmentation of the ulna, radius, and metacarpal bones. This model is formulated as an optimal transport (OT) problem, enabling it to handle the inherent uncertainties in image segmentation more effectively. Further, we adopt a self-supervised learning (SSL) approach to extract meaningful representations without the need for explicit labels, and move on to classify osteoporosis in a supervised manner. Our method is evaluated on a dataset with 192 individuals, cross-referencing their verified osteoporosis conditions against the standard DXA test. With a notable classification score, this integration of uncertainty-aware segmentation and self-supervised learning represents a pioneering effort in leveraging vision-based techniques for the early detection of osteoporosis from peripheral skeletal sites.
Authors: Ekaterina Krupkina, Dmitrii Volkov
Abstract: We show a version of Qi et al. 2023's simple fine-tuning poisoning technique strips GPT-4o's safety guardrails without degrading the model. The BadGPT attack matches best white-box jailbreaks on HarmBench and StrongREJECT. It suffers no token overhead or performance hits common to jailbreaks, as evaluated on tinyMMLU and open-ended generations. Despite having been known for a year, this attack remains easy to execute.
Authors: R. Prashanth
Abstract: Early and accurate detection of Parkinson's disease (PD) is a crucial diagnostic challenge carrying immense clinical significance, for effective treatment regimens and patient management. For instance, a group of subjects termed SWEDD who are clinically diagnosed as PD, but show normal Single Photon Emission Computed Tomography (SPECT) scans, change their diagnosis as non-PD after few years of follow up, and in the meantime, they are treated with PD medications which do more harm than good. In this work, machine learning models are developed using features from SPECT images to detect early PD and SWEDD subjects from normal. These models were observed to perform with high accuracy. It is inferred from the study that these diagnostic models carry potential to help PD clinicians in the diagnostic process
Authors: Ashley S. Dale, Mei Qiu, Foo Bin Che, Thomas Bsaibes, Lauren Christopher, Paul Salama
Abstract: Much effort has been made to explain and improve the success of transfer-based attacks (TBA) on black-box computer vision models. This work provides the first attempt at a priori prediction of attack success by identifying the presence of vulnerable features within target models. Recent work by Chen and Liu (2024) proposed the manifold attack model, a unifying framework proposing that successful TBA exist in a common manifold space. Our work experimentally tests the common manifold space hypothesis by a new methodology: first, projecting feature vectors from surrogate and target feature extractors trained on ImageNet onto the same low-dimensional manifold; second, quantifying any observed structure similarities on the manifold; and finally, by relating these observed similarities to the success of the TBA. We find that shared feature representation moderately correlates with increased success of TBA (\r{ho}= 0.56). This method may be used to predict whether an attack will transfer without information of the model weights, training, architecture or details of the attack. The results confirm the presence of shared feature representations between two feature extractors of different sizes and complexities, and demonstrate the utility of datasets from different target domains as test signals for interpreting black-box feature representations.
Authors: Andy Rosenbaum, Pegah Kharazmi, Ershad Banijamali, Lu Zeng, Christopher DiPersio, Pan Wei, Gokmen Oz, Clement Chung, Karolina Owczarzak, Fabian Triefenbach, Wael Hamza
Abstract: We present CALICO, a method to fine-tune Large Language Models (LLMs) to localize conversational agent training data from one language to another. For slots (named entities), CALICO supports three operations: verbatim copy, literal translation, and localization, i.e. generating slot values more appropriate in the target language, such as city and airport names located in countries where the language is spoken. Furthermore, we design an iterative filtering mechanism to discard noisy generated samples, which we show boosts the performance of the downstream conversational agent. To prove the effectiveness of CALICO, we build and release a new human-localized (HL) version of the MultiATIS++ travel information test set in 8 languages. Compared to the original human-translated (HT) version of the test set, we show that our new HL version is more challenging. We also show that CALICO out-performs state-of-the-art LINGUIST (which relies on literal slot translation out of context) both on the HT case, where CALICO generates more accurate slot translations, and on the HL case, where CALICO generates localized slots which are closer to the HL test set.
Authors: Shuhao Ma, Yu Cao, Ian D. Robertson, Chaoyang Shi, Jindong Liu, Zhi-Qiang Zhang
Abstract: Accurate understanding of muscle activation and muscle forces plays an essential role in neuro-rehabilitation and musculoskeletal disorder treatments. Computational musculoskeletal modeling has been widely used as a powerful non-invasive tool to estimate them through inverse dynamics using static optimization, but the inherent computational complexity results in time-consuming analysis. In this paper, we propose a knowledge-based deep learning framework for time-efficient inverse dynamic analysis, which can predict muscle activation and muscle forces from joint kinematic data directly while not requiring any label information during model training. The Bidirectional Gated Recurrent Unit (BiGRU) neural network is selected as the backbone of our model due to its proficient handling of time-series data. Prior physical knowledge from forward dynamics and pre-selected inverse dynamics based physiological criteria are integrated into the loss function to guide the training of neural networks. Experimental validations on two datasets, including one benchmark upper limb movement dataset and one self-collected lower limb movement dataset from six healthy subjects, are performed. The experimental results have shown that the selected BiGRU architecture outperforms other neural network models when trained using our specifically designed loss function, which illustrates the effectiveness and robustness of the proposed framework.
Authors: Priya Sundaresan, Hengyuan Hu, Quan Vuong, Jeannette Bohg, Dorsa Sadigh
Abstract: While imitation learning (IL) offers a promising framework for teaching robots various behaviors, learning complex tasks remains challenging. Existing IL policies struggle to generalize effectively across visual and spatial variations even for simple tasks. In this work, we introduce SPHINX: Salient Point-based Hybrid ImitatioN and eXecution, a flexible IL policy that leverages multimodal observations (point clouds and wrist images), along with a hybrid action space of low-frequency, sparse waypoints and high-frequency, dense end effector movements. Given 3D point cloud observations, SPHINX learns to infer task-relevant points within a point cloud, or salient points, which support spatial generalization by focusing on semantically meaningful features. These salient points serve as anchor points to predict waypoints for long-range movement, such as reaching target poses in free-space. Once near a salient point, SPHINX learns to switch to predicting dense end-effector movements given close-up wrist images for precise phases of a task. By exploiting the strengths of different input modalities and action representations for different manipulation phases, SPHINX tackles complex tasks in a sample-efficient, generalizable manner. Our method achieves 86.7% success across 4 real-world and 2 simulated tasks, outperforming the next best state-of-the-art IL baseline by 41.1% on average across 440 real world trials. SPHINX additionally generalizes to novel viewpoints, visual distractors, spatial arrangements, and execution speeds with a 1.7x speedup over the most competitive baseline. Our website (http://sphinx-manip.github.io) provides open-sourced code for data collection, training, and evaluation, along with supplementary videos.
Authors: Amir DN Cohen, Shauli Ravfogel, Shaltiel Shmidman, Yoav Goldberg
Abstract: In few-shot relation classification (FSRC), models must generalize to novel relations with only a few labeled examples. While much of the recent progress in NLP has focused on scaling data size, we argue that diversity in relation types is more crucial for FSRC performance. In this work, we demonstrate that training on a diverse set of relations significantly enhances a model's ability to generalize to unseen relations, even when the overall dataset size remains fixed. We introduce REBEL-FS, a new FSRC benchmark that incorporates an order of magnitude more relation types than existing datasets. Through systematic experiments, we show that increasing the diversity of relation types in the training data leads to consistent gains in performance across various few-shot learning scenarios, including high-negative settings. Our findings challenge the common assumption that more data alone leads to better performance and suggest that targeted data curation focused on diversity can substantially reduce the need for large-scale datasets in FSRC.
Authors: Youfang Lin, Jinji Fu, Haomin Wen, Jiyuan Wang, Zhenjie Wei, Yuting Qiang, Xiaowei Mao, Lixia Wu, Haoyuan Hu, Yuxuan Liang, Huaiyu Wan
Abstract: In Location-Based Services (LBS), such as food delivery, a fundamental task is segmenting Areas of Interest (AOIs), aiming at partitioning the urban geographical spaces into non-overlapping regions. Traditional AOI segmentation algorithms primarily rely on road networks to partition urban areas. While promising in modeling the geo-semantics, road network-based models overlooked the service-semantic goals (e.g., workload equality) in LBS service. In this paper, we point out that the AOI segmentation problem can be naturally formulated as a Markov Decision Process (MDP), which gradually chooses a nearby AOI for each grid in the current AOI's border. Based on the MDP, we present the first attempt to generalize Deep Reinforcement Learning (DRL) for AOI segmentation, leading to a novel DRL-based framework called DRL4AOI. The DRL4AOI framework introduces different service-semantic goals in a flexible way by treating them as rewards that guide the AOI generation. To evaluate the effectiveness of DRL4AOI, we develop and release an AOI segmentation system. We also present a representative implementation of DRL4AOI - TrajRL4AOI - for AOI segmentation in the logistics service. It introduces a Double Deep Q-learning Network (DDQN) to gradually optimize the AOI generation for two specific semantic goals: i) trajectory modularity, i.e., maximize tightness of the trajectory connections within an AOI and the sparsity of connections between AOIs, ii) matchness with the road network, i.e., maximizing the matchness between AOIs and the road network. Quantitative and qualitative experiments conducted on synthetic and real-world data demonstrate the effectiveness and superiority of our method. The code and system is publicly available at https://github.com/Kogler7/AoiOpt.
Authors: Benjie Wang, Denis Deratani Mau\'a, Guy Van den Broeck, YooJung Choi
Abstract: Circuits based on sum-product structure have become a ubiquitous representation to compactly encode knowledge, from Boolean functions to probability distributions. By imposing constraints on the structure of such circuits, certain inference queries become tractable, such as model counting and most probable configuration. Recent works have explored analyzing probabilistic and causal inference queries as compositions of basic operators to derive tractability conditions. In this paper, we take an algebraic perspective for compositional inference, and show that a large class of queries - including marginal MAP, probabilistic answer set programming inference, and causal backdoor adjustment - correspond to a combination of basic operators over semirings: aggregation, product, and elementwise mapping. Using this framework, we uncover simple and general sufficient conditions for tractable composition of these operators, in terms of circuit properties (e.g., marginal determinism, compatibility) and conditions on the elementwise mappings. Applying our analysis, we derive novel tractability conditions for many such compositional queries. Our results unify tractability conditions for existing problems on circuits, while providing a blueprint for analysing novel compositional inference queries.
Authors: Abulikemu Abuduweili, Chenyang Yuan, Changliu Liu, Frank Permenter
Abstract: The denoising process of diffusion models can be interpreted as a projection of noisy samples onto the data manifold. Moreover, the noise level in these samples approximates their distance to the underlying manifold. Building on this insight, we propose a novel method to enhance sample generation by aligning the estimated noise level with the true distance of noisy samples to the manifold. Specifically, we introduce a noise level correction network, leveraging a pre-trained denoising network, to refine noise level estimates during the denoising process. Additionally, we extend this approach to various image restoration tasks by integrating task-specific constraints, including inpainting, deblurring, super-resolution, colorization, and compressed sensing. Experimental results demonstrate that our method significantly improves sample quality in both unconstrained and constrained generation scenarios. Notably, the proposed noise level correction framework is compatible with existing denoising schedulers (e.g., DDIM), offering additional performance improvements.
Authors: Zhu Yufan, Hao Zeyu, Li Siqi, Niu Boqian
Abstract: SplaXBERT, built on ALBERT-xlarge with context-splitting and mixed precision training, achieves high efficiency in question-answering tasks on lengthy texts. Tested on SQuAD v1.1, it attains an Exact Match of 85.95% and an F1 Score of 92.97%, outperforming traditional BERT-based models in both accuracy and resource efficiency.
Authors: Zebin Wang, Yi Han, Ethan X. Fang, Lan Wang, Junwei Lu
Abstract: We consider the inference for the ranking of large language models (LLMs). Alignment arises as a big challenge to mitigate hallucinations in the use of LLMs. Ranking LLMs has been shown as a well-performing tool to improve alignment based on the best-of-$N$ policy. In this paper, we propose a new inferential framework for testing hypotheses and constructing confidence intervals of the ranking of language models. We consider the widely adopted Bradley-Terry-Luce (BTL) model, where each item is assigned a positive preference score that determines its pairwise comparisons' outcomes. We further extend it into the contextual setting, where the score of each model varies with the prompt. We show the convergence rate of our estimator. By extending the current Gaussian multiplier bootstrap theory to accommodate the supremum of not identically distributed empirical processes, we construct the confidence interval for ranking and propose a valid testing procedure. We also introduce the confidence diagram as a global ranking property. We conduct numerical experiments to assess the performance of our method.
Authors: Runhao Zeng, Dingjie Zhou, Qiwei Liang, Junlin Liu, Hui Li, Changxin Huang, Jianqiang Li, Xiping Hu, Fuchun Sun
Abstract: Learning behavior in legged robots presents a significant challenge due to its inherent instability and complex constraints. Recent research has proposed the use of a large language model (LLM) to generate reward functions in reinforcement learning, thereby replacing the need for manually designed rewards by experts. However, this approach, which relies on textual descriptions to define learning objectives, fails to achieve controllable and precise behavior learning with clear directionality. In this paper, we introduce a new video2reward method, which directly generates reward functions from videos depicting the behaviors to be mimicked and learned. Specifically, we first process videos containing the target behaviors, converting the motion information of individuals in the videos into keypoint trajectories represented as coordinates through a video2text transforming module. These trajectories are then fed into an LLM to generate the reward function, which in turn is used to train the policy. To enhance the quality of the reward function, we develop a video-assisted iterative reward refinement scheme that visually assesses the learned behaviors and provides textual feedback to the LLM. This feedback guides the LLM to continually refine the reward function, ultimately facilitating more efficient behavior learning. Experimental results on tasks involving bipedal and quadrupedal robot motion control demonstrate that our method surpasses the performance of state-of-the-art LLM-based reward generation methods by over 37.6% in terms of human normalized score. More importantly, by switching video inputs, we find our method can rapidly learn diverse motion behaviors such as walking and running.
Authors: H. Sababha, A. Elmaradny, H. Taha, M. Daqaq
Abstract: Advancements in computational fluid mechanics have largely relied on Newtonian frameworks, particularly through the direct simulation of Navier-Stokes equations. In this work, we propose an alternative computational framework that employs variational methods, specifically by leveraging the principle of minimum pressure gradient, which turns the fluid mechanics problem into a minimization problem whose solution can be used to predict the flow field in unsteady incompressible viscous flows. This method exhibits two particulary intriguing properties. First, it circumvents the chronic issues of pressure-velocity coupling in incompressible flows, which often dominates the computational cost in computational fluid dynamics (CFD). Second, this method eliminates the reliance on unphysical assumptions at the outflow boundary, addressing another longstanding challenge in CFD. We apply this framework to three benchmark examples across a range of Reynolds numbers: (i) unsteady flow field in a lid-driven cavity, (ii) Poiseuille flow, and (iii) flow past a circular cylinder. The minimization framework is carried out using a physics-informed neural network (PINN), which integrates the underlying physical principles directly into the training of the model. The results from the proposed method are validated against high-fidelity CFD simulations, showing an excellent agreement. Comparison of the proposed variational method to the conventional method, wherein PINNs is directly applied to solve Navier-Stokes Equations, reveals that the proposed method outperforms conventional PINNs in terms of both convergence rate and time, demonstrating its potential for solving complex fluid mechanics problems.
Authors: Gengze Zhou, Yicong Hong, Zun Wang, Chongyang Zhao, Mohit Bansal, Qi Wu
Abstract: The academic field of learning instruction-guided visual navigation can be generally categorized into high-level category-specific search and low-level language-guided navigation, depending on the granularity of language instruction, in which the former emphasizes the exploration process, while the latter concentrates on following detailed textual commands. Despite the differing focuses of these tasks, the underlying requirements of interpreting instructions, comprehending the surroundings, and inferring action decisions remain consistent. This paper consolidates diverse navigation tasks into a unified and generic framework -- we investigate the core difficulties of sharing general knowledge and exploiting task-specific capabilities in learning navigation and propose a novel State-Adaptive Mixture of Experts (SAME) model that effectively enables an agent to infer decisions based on different-granularity language and dynamic observations. Powered by SAME, we present a versatile agent capable of addressing seven navigation tasks simultaneously that outperforms or achieves highly comparable performance to task-specific agents.
Authors: Wenqing Wang, Yun Fu
Abstract: Text-to-3D generation is a valuable technology in virtual reality and digital content creation. While recent works have pushed the boundaries of text-to-3D generation, producing high-fidelity 3D objects with inefficient prompts and simulating their physics-grounded motion accurately still remain unsolved challenges. To address these challenges, we present an innovative framework that utilizes the Large Language Model (LLM)-refined prompts and diffusion priors-guided Gaussian Splatting (GS) for generating 3D models with accurate appearances and geometric structures. We also incorporate a continuum mechanics-based deformation map and color regularization to synthesize vivid physics-grounded motion for the generated 3D Gaussians, adhering to the conservation of mass and momentum. By integrating text-to-3D generation with physics-grounded motion synthesis, our framework renders photo-realistic 3D objects that exhibit physics-aware motion, accurately reflecting the behaviors of the objects under various forces and constraints across different materials. Extensive experiments demonstrate that our approach achieves high-quality 3D generations with realistic physics-grounded motion.
Authors: Rajat Singh, Srikanta Bedathur
Abstract: Equivalence checking of two SQL queries is an intractable problem encountered in diverse contexts ranging from grading student submissions in a DBMS course to debugging query rewriting rules in an optimizer, and many more. While a lot of progress has been made in recent years in developing practical solutions for this problem, the existing methods can handle only a small subset of SQL, even for bounded equivalence checking. They cannot support sophisticated SQL expressions one encounters in practice. At the same time, large language models (LLMs) -- such as GPT-4 -- have emerged as power generators of SQL from natural language specifications. This paper explores whether LLMs can also demonstrate the ability to reason with SQL queries and help advance SQL equivalence checking. Towards this, we conducted a detailed evaluation of several LLMs over collections with SQL pairs of varying levels of complexity. We explored the efficacy of different prompting techniques, the utility of synthetic examples & explanations, as well as logical plans generated by query parsers. Our main finding is that with well-designed prompting using an unoptimized SQL Logical Plan, LLMs can perform equivalence checking beyond the capabilities of current techniques, achieving nearly 100% accuracy for equivalent pairs and up to 70% for non-equivalent pairs of SQL queries. While LLMs lack the ability to generate formal proofs, their synthetic examples and human-readable explanations offer valuable insights to students (& instructors) in a classroom setting and to database administrators (DBAs) managing large database installations. Additionally, we also show that with careful fine-tuning, we can close the performance gap between smaller (and efficient) models and larger models such as GPT, thus paving the way for potential LLM-integration in standalone data processing systems.
Authors: Xiaoyu Li, Yuanpeng Li, Yingyu Liang, Zhenmei Shi, Zhao Song
Abstract: Modern Hopfield networks (MHNs) have emerged as powerful tools in deep learning, capable of replacing components such as pooling layers, LSTMs, and attention mechanisms. Recent advancements have enhanced their storage capacity, retrieval speed, and error rates. However, the fundamental limits of their computational expressiveness remain unexplored. Understanding the expressive power of MHNs is crucial for optimizing their integration into deep learning architectures. In this work, we establish rigorous theoretical bounds on the computational capabilities of MHNs using circuit complexity theory. Our key contribution is that we show that MHNs are $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$. Hence, unless $\mathsf{TC}^0 = \mathsf{NC}^1$, a $\mathrm{poly}(n)$-precision modern Hopfield networks with a constant number of layers and $O(n)$ hidden dimension cannot solve $\mathsf{NC}^1$-hard problems such as the undirected graph connectivity problem and the tree isomorphism problem. We also extended our results to Kernelized Hopfield Networks. These results demonstrate the limitation in the expressive power of the modern Hopfield networks. Moreover, Our theoretical analysis provides insights to guide the development of new Hopfield-based architectures.
Authors: Andrea Avogaro, Luigi Capogrosso, Franco Fummi, Marco Cristani
Abstract: In the fast-fashion industry, overproduction and unsold inventory create significant environmental problems. Precise sales forecasts for unreleased items could drastically improve the efficiency and profits of industries. However, predicting the success of entirely new styles is difficult due to the absence of past data and ever-changing trends. Specifically, currently used deterministic models struggle with domain shifts when encountering items outside their training data. The recently proposed diffusion models address this issue using a continuous-time diffusion process. Specifically, these models enable us to predict the sales of new items, mitigating the domain shift challenges encountered by deterministic models. As a result, this paper proposes Dif4FF, a novel two-stage pipeline for New Fashion Product Performance Forecasting (NFPPF) that leverages the power of diffusion models conditioned on multimodal data related to specific clothes. Dif4FF first utilizes a multimodal score-based diffusion model to forecast multiple sales trajectories for various garments over time. The forecasts are refined using a powerful Graph Convolutional Network (GCN) architecture. By leveraging the GCN's capability to capture long-range dependencies within both the temporal and spatial data and seeking the optimal solution between these two dimensions, Dif4FF offers the most accurate and efficient forecasting system available in the literature for predicting the sales of new items. We tested Dif4FF on VISUELLE, the de facto standard for NFPPF, achieving new state-of-the-art results.
Authors: Yifan Wang, Chengjie Yu, Jiang Zhu, Fangyong Wang, Xingbin Tu, Yan Wei, Fengzhong Qu
Abstract: Channel estimation is a fundamental task in communication systems and is critical for effective demodulation. While most works deal with a simple scenario where the measurements are corrupted by the additive white Gaussian noise (AWGN), this work addresses the more challenging scenario where both AWGN and structured interference coexist. Such conditions arise, for example, when a sonar/radar transmitter and a communication receiver operate simultaneously within the same bandwidth. To ensure accurate channel estimation in these scenarios, the sparsity of the channel in the delay domain and the complicate structure of the interference are jointly exploited. Firstly, the score of the structured interference is learned via a neural network based on the diffusion model (DM), while the channel prior is modeled as a Gaussian distribution, with its variance controlling channel sparsity, similar to the setup of the sparse Bayesian learning (SBL). Then, two efficient posterior sampling methods are proposed to jointly estimate the sparse channel and the interference. Nuisance parameters, such as the variance of the prior are estimated via the expectation maximization (EM) algorithm. The proposed method is termed as DM based SBL (DM-SBL). Numerical simulations demonstrate that DM-SBL significantly outperforms conventional approaches that deal with the AWGN scenario, particularly under low signal-to-interference ratio (SIR) conditions. Beyond channel estimation, DM-SBL also shows promise for addressing other linear inverse problems involving structured interference.
Authors: Michael Hersche, Giacomo Camposampiero, Roger Wattenhofer, Abu Sebastian, Abbas Rahimi
Abstract: This work compares large language models (LLMs) and neuro-symbolic approaches in solving Raven's progressive matrices (RPM), a visual abstract reasoning test that involves the understanding of mathematical rules such as progression or arithmetic addition. Providing the visual attributes directly as textual prompts, which assumes an oracle visual perception module, allows us to measure the model's abstract reasoning capability in isolation. Despite providing such compositionally structured representations from the oracle visual perception and advanced prompting techniques, both GPT-4 and Llama-3 70B cannot achieve perfect accuracy on the center constellation of the I-RAVEN dataset. Our analysis reveals that the root cause lies in the LLM's weakness in understanding and executing arithmetic rules. As a potential remedy, we analyze the Abductive Rule Learner with Context-awareness (ARLC), a neuro-symbolic approach that learns to reason with vector-symbolic architectures (VSAs). Here, concepts are represented with distributed vectors s.t. dot products between encoded vectors define a similarity kernel, and simple element-wise operations on the vectors perform addition/subtraction on the encoded values. We find that ARLC achieves almost perfect accuracy on the center constellation of I-RAVEN, demonstrating a high fidelity in arithmetic rules. To stress the length generalization capabilities of the models, we extend the RPM tests to larger matrices (3x10 instead of typical 3x3) and larger dynamic ranges of the attribute values (from 10 up to 1000). We find that the LLM's accuracy of solving arithmetic rules drops to sub-10%, especially as the dynamic range expands, while ARLC can maintain a high accuracy due to emulating symbolic computations on top of properly distributed representations. Our code is available at https://github.com/IBM/raven-large-language-models.
Authors: Mohammadali Memari, Soghra Mikaeyl Nejad, Amir Parsa Rabiei, Mehrshad Eisaei, Saba Hesaraki
Abstract: Multidomain sentiment analysis involves estimating the polarity of an unstructured text by exploiting domain specific information. One of the main issues common to the approaches discussed in the literature is their poor applicability to domains that differ from those used to construct opinion models.This paper aims to present a new method for Persian multidomain SA analysis using deep learning approaches. The proposed BERTCapsules approach consists of a combination of BERT and Capsule models. In this approach, BERT was used for Instance representation, and Capsule Structure was used to learn the extracted graphs. Digikala dataset, including ten domains with both positive and negative polarity, was used to evaluate this approach. The evaluation of the BERTCaps model achieved an accuracy of 0.9712 in sentiment classification binary classification and 0.8509 in domain classification .
Authors: Mozhgan Naderi, Maryam Rastgarpour, Amir Reza Takhsha
Abstract: Alzheimer's Disease (AD) is a progressive neurological disorder that can result in significant cognitive impairment and dementia. Accurate and timely diagnosis is essential for effective treatment and management of this disease. In this study, we proposed two low-parameter Convolutional Neural Networks (CNNs), IR-BRAINNET and Modified-DEMNET, designed to detect the early stages of AD accurately. We also introduced an ensemble model that averages their outputs to reduce variance across the CNNs and enhance AD detection. Both CNNs are trained, and all models are evaluated using a Magnetic Resonance Imaging (MRI) dataset from the Kaggle database. The dataset includes images of four stages of dementia, with an uneven class distribution. To mitigate challenges stemming from the inherent imbalance in the dataset, we employed the Synthetic Minority Over-sampling Technique (SMOTE) to generate additional instances for minority classes. In the NO-SMOTE scenario, despite the imbalanced distribution, the ensemble model achieved 98.28% accuracy, outperforming IR-BRAINNET (97.26%) and Modified-DEMNET (95.54%), with Wilcoxon p-values of 2.9e-3 and 5.20e-6, respectively, indicating significant improvement in correct predictions through the use of the average function. In the SMOTE scenario, the ensemble model achieved 99.92% accuracy (1.64% improvement over NO-SMOTE), IR-BRAINNET reached 99.80% (2.54% improvement), and Modified-DEMNET attained 99.72% (4.18% improvement). Based on the experimental findings, averaging the models' outputs enhanced AD diagnosis in both scenarios, while the diversity in the dataset introduced by SMOTE-generated instances significantly improved performance. Furthermore, the compact models we proposed outperformed those from previous studies, even in the presence of an imbalanced distribution.
Authors: Jing-Chuan Wu, Qi Ye, Dong-Ling Deng, Li-Wei Yu
Abstract: Tensor network machine learning models have shown remarkable versatility in tackling complex data-driven tasks, ranging from quantum many-body problems to classical pattern recognitions. Despite their promising performance, a comprehensive understanding of the underlying assumptions and limitations of these models is still lacking. In this work, we focus on the rigorous formulation of their no-free-lunch theorem -- essential yet notoriously challenging to formalize for specific tensor network machine learning models. In particular, we rigorously analyze the generalization risks of learning target output functions from input data encoded in tensor network states. We first prove a no-free-lunch theorem for machine learning models based on matrix product states, i.e., the one-dimensional tensor network states. Furthermore, we circumvent the challenging issue of calculating the partition function for two-dimensional Ising model, and prove the no-free-lunch theorem for the case of two-dimensional projected entangled-pair state, by introducing the combinatorial method associated to the "puzzle of polyominoes". Our findings reveal the intrinsic limitations of tensor network-based learning models in a rigorous fashion, and open up an avenue for future analytical exploration of both the strengths and limitations of quantum-inspired machine learning frameworks.
Authors: Guy Levy, Nathan Liebmann
Abstract: Deepfakes are on the rise, with increased sophistication and prevalence allowing for high-profile social engineering attacks. Detecting them in the wild is therefore important as ever, giving rise to new approaches breaking benchmark records in this task. In line with previous work, we show that recently developed state-of-the-art detectors are susceptible to classical adversarial attacks, even in a highly-realistic black-box setting, putting their usability in question. We argue that crucial 'robust features' of deepfakes are in their higher semantics, and follow that with evidence that a detector based on a semantic embedding model is less susceptible to black-box perturbation attacks. We show that large visuo-lingual models like GPT-4o can perform zero-shot deepfake detection better than current state-of-the-art methods, and introduce a novel attack based on high-level semantic manipulation. Finally, we argue that hybridising low- and high-level detectors can improve adversarial robustness, based on their complementary strengths and weaknesses.
Authors: Ardiansyah Koeshidayatullah, Abdulrahman Al-Fakih, SanLinn Ismael Kaka
Abstract: The rise in energy demand highlights the importance of suitable subsurface storage, requiring detailed and accurate subsurface characterization often reliant on high-quality borehole well log data. However, obtaining complete well-log data is costly and time-consuming, with missing data being common due to borehole conditions or tool errors. While machine learning and deep learning algorithms have been implemented to address these issues, they often fail to capture the intricate, nonlinear relationships and long-term dependencies in complex well log sequences. Additionally, prior AI-driven models typically require retraining when introduced to new datasets and are constrained to deployment in the same basin. In this study, we explored and evaluated the potential of a time-series foundation model leveraging transformer architecture and a generative pre-trained approach for predicting and detecting anomalies in borehole well log data. Specifically, we fine-tuned and adopted the TimeGPT architecture to forecast key log responses and detect anomalies with high accuracy. Our proposed model demonstrated excellent performance, achieving R2 of up to 87% and a mean absolute percentage error (MAPE) as low as 1.95%. Additionally, the model's zero-shot capability successfully identified subtle yet critical anomalies, such as drilling hazards or unexpected geological formations, with an overall accuracy of 93%. The model represents a significant advancement in predictive accuracy and computational efficiency, enabling zero-shot inference through fine-tuning. Its application in well-log prediction enhances operational decision-making while reducing risks associated with subsurface exploration. These findings demonstrate the model's potential to transform well-log data analysis, particularly in complex geological settings.
Authors: Deepshikha Bhati, Fnu Neha, Md Amiruzzaman, Angela Guercio, Deepak Kumar Shukla, Ben Ward
Abstract: Interpreting complex neural networks is crucial for understanding their decision-making processes, particularly in applications where transparency and accountability are essential. This proposed method addresses this need by focusing on layer-wise Relevance Propagation (LRP), a technique used in explainable artificial intelligence (XAI) to attribute neural network outputs to input features through backpropagated relevance scores. Existing LRP methods often struggle with precision in evaluating individual neuron contributions. To overcome this limitation, we present a novel approach that improves the parsing of selected neurons during LRP backward propagation, using the Visual Geometry Group 16 (VGG16) architecture as a case study. Our method creates neural network graphs to highlight critical paths and visualizes these paths with heatmaps, optimizing neuron selection through accuracy metrics like Mean Squared Error (MSE) and Symmetric Mean Absolute Percentage Error (SMAPE). Additionally, we utilize a deconvolutional visualization technique to reconstruct feature maps, offering a comprehensive view of the network's inner workings. Extensive experiments demonstrate that our approach enhances interpretability and supports the development of more transparent artificial intelligence (AI) systems for computer vision applications. This advancement has the potential to improve the trustworthiness of AI models in real-world machine vision applications, thereby increasing their reliability and effectiveness.
Authors: Youbang Sun, Shixiang Chen, Alfredo Garcia, Shahin Shahrampour
Abstract: Many classical and modern machine learning algorithms require solving optimization tasks under orthogonality constraints. Solving these tasks with feasible methods requires a gradient descent update followed by a retraction operation on the Stiefel manifold, which can be computationally expensive. Recently, an infeasible retraction-free approach, termed the landing algorithm, was proposed as an efficient alternative. Motivated by the common occurrence of orthogonality constraints in tasks such as principle component analysis and training of deep neural networks, this paper studies the landing algorithm and establishes a novel linear convergence rate for smooth non-convex functions using only a local Riemannian P{\L} condition. Numerical experiments demonstrate that the landing algorithm performs on par with the state-of-the-art retraction-based methods with substantially reduced computational overhead.
Authors: Paramita Das, Amartya Roy, Ritabrata Chakraborty, Animesh Mukherjee
Abstract: Although Wikipedia is the largest multilingual encyclopedia, it remains inherently incomplete. There is a significant disparity in the quality of content between high-resource languages (HRLs, e.g., English) and low-resource languages (LRLs, e.g., Hindi), with many LRL articles lacking adequate information. To bridge these content gaps, we propose a lightweight framework to enhance knowledge equity between English and Hindi. In case the English Wikipedia page is not up-to-date, our framework extracts relevant information from external resources readily available (such as English books) and adapts it to align with Wikipedia's distinctive style, including its \textit{neutral point of view} (NPOV) policy, using in-context learning capabilities of large language models. The adapted content is then machine-translated into Hindi for integration into the corresponding Wikipedia articles. On the other hand, if the English version is comprehensive and up-to-date, the framework directly transfers knowledge from English to Hindi. Our framework effectively generates new content for Hindi Wikipedia sections, enhancing Hindi Wikipedia articles respectively by 65% and 62% according to automatic and human judgment-based evaluations.
Authors: Niloufar Saeidi Mobarakeh, Behzad Khamidehi, Chunlin Li, Hamidreza Mirkhani, Fazel Arasteh, Mohammed Elmahgiubi, Weize Zhang, Kasra Rezaee, Pascal Poupart
Abstract: The primary goal of motion planning is to generate safe and efficient trajectories for vehicles. Traditionally, motion planning models are trained using imitation learning to mimic the behavior of human experts. However, these models often lack interpretability and fail to provide clear justifications for their decisions. We propose a method that integrates constraint learning into imitation learning by extracting driving constraints from expert trajectories. Our approach utilizes vectorized scene embeddings that capture critical spatial and temporal features, enabling the model to identify and generalize constraints across various driving scenarios. We formulate the constraint learning problem using a maximum entropy model, which scores the motion planner's trajectories based on their similarity to the expert trajectory. By separating the scoring process into distinct reward and constraint streams, we improve both the interpretability of the planner's behavior and its attention to relevant scene components. Unlike existing constraint learning methods that rely on simulators and are typically embedded in reinforcement learning (RL) or inverse reinforcement learning (IRL) frameworks, our method operates without simulators, making it applicable to a wider range of datasets and real-world scenarios. Experimental results on the InD and TrafficJams datasets demonstrate that incorporating driving constraints enhances model interpretability and improves closed-loop performance.
Authors: Harshit Sikchi, Siddhant Agarwal, Pranaya Jajoo, Samyak Parajuli, Caleb Chuck, Max Rudolph, Peter Stone, Amy Zhang, Scott Niekum
Abstract: Rewards remain an uninterpretable way to specify tasks for Reinforcement Learning, as humans are often unable to predict the optimal behavior of any given reward function, leading to poor reward design and reward hacking. Language presents an appealing way to communicate intent to agents and bypass reward design, but prior efforts to do so have been limited by costly and unscalable labeling efforts. In this work, we propose a method for a completely unsupervised alternative to grounding language instructions in a zero-shot manner to obtain policies. We present a solution that takes the form of imagine, project, and imitate: The agent imagines the observation sequence corresponding to the language description of a task, projects the imagined sequence to our target domain, and grounds it to a policy. Video-language models allow us to imagine task descriptions that leverage knowledge of tasks learned from internet-scale video-text mappings. The challenge remains to ground these generations to a policy. In this work, we show that we can achieve a zero-shot language-to-behavior policy by first grounding the imagined sequences in real observations of an unsupervised RL agent and using a closed-form solution to imitation learning that allows the RL agent to mimic the grounded observations. Our method, RLZero, is the first to our knowledge to show zero-shot language to behavior generation abilities without any supervision on a variety of tasks on simulated domains. We further show that RLZero can also generate policies zero-shot from cross-embodied videos such as those scraped from YouTube.
Authors: Kate\v{r}ina \v{S}kardov\'a, Alexandre Daby-Seesaram, Martin Genet
Abstract: We present the Finite Element Neural Network Interpolation (FENNI) framework, a sparse neural network architecture extending previous work on Embedded Finite Element Neural Networks (EFENN) introduced with the Hierarchical Deep-learning Neural Networks (HiDeNN). Due to their mesh-based structure, EFENN requires significantly fewer trainable parameters than fully connected neural networks, with individual weights and biases having a clear interpretation. Our FENNI framework, within the EFENN framework, brings improvements to the HiDeNN approach. First, we propose a reference element-based architecture where shape functions are defined on a reference element, enabling variability in interpolation functions and straightforward use of Gaussian quadrature rules for evaluating the loss function. Second, we propose a pragmatic multigrid training strategy based on the framework's interpretability. Third, HiDeNN's combined rh-adaptivity is extended from 1D to 2D, with a new Jacobian-based criterion for adding nodes combining h- and r-adaptivity. From a deep learning perspective, adaptive mesh behavior through rh-adaptivity and the multigrid approach correspond to transfer learning, enabling FENNI to optimize the network's architecture dynamically during training. The framework's capabilities are demonstrated on 1D and 2D test cases, where its accuracy and computational cost are compared against an analytical solution and a classical FEM solver. On these cases, the multigrid training strategy drastically improves the training stage's efficiency and robustness. Finally, we introduce a variational loss within the EFENN framework, showing that it performs as well as energy-based losses and outperforms residual-based losses. This framework is extended to surrogate modeling over the parametric space in Part II.
Authors: Haizhou Shi, Yibin Wang, Ligong Han, Huan Zhang, Hao Wang
Abstract: Estimating the uncertainty of responses of Large Language Models~(LLMs) remains a critical challenge. While recent Bayesian methods have demonstrated effectiveness in quantifying uncertainty through low-rank weight updates, they typically require complex fine-tuning or post-training procedures. In this paper, we propose Training-Free Bayesianization~(TFB), a novel framework that transforms existing off-the-shelf trained LoRA adapters into Bayesian ones without additional training. TFB systematically searches for the maximally acceptable level of variance in the weight posterior, constrained within a family of low-rank isotropic Gaussian distributions. We theoretically demonstrate that under mild conditions, this search process is equivalent to variational inference for the weights. Through comprehensive experiments, we show that TFB achieves superior uncertainty estimation and generalization compared to existing methods while eliminating the need for complex training procedures. Code will be available at https://github.com/Wang-ML-Lab/bayesian-peft.
Authors: Nathan Wycoff, Lisa O. Singh, Ali Arab, Katharine M. Donato
Abstract: Augmenting a smooth cost function with an $\ell_1$ penalty allows analysts to efficiently conduct estimation and variable selection simultaneously in sophisticated models and can be efficiently implemented using proximal gradient methods. However, one drawback of the $\ell_1$ penalty is bias: nonzero parameters are underestimated in magnitude, motivating techniques such as the Adaptive Lasso which endow each parameter with its own penalty coefficient. But it's not clear how these parameter-specific penalties should be set in complex models. In this article, we study the approach of treating the penalty coefficients as additional decision variables to be learned in a \textit{Maximum a Posteriori} manner, developing a proximal gradient approach to joint optimization of these together with the parameters of any differentiable cost function. Beyond reducing bias in estimates, this procedure can also encourage arbitrary sparsity structure via a prior on the penalty coefficients. We compare our method to implementations of specific sparsity structures for non-Gaussian regression on synthetic and real datasets, finding our more general method to be competitive in terms of both speed and accuracy. We then consider nonlinear models for two case studies: COVID-19 vaccination behavior and international refugee movement, highlighting the applicability of this approach to complex problems and intricate sparsity structures.
Authors: Mengming Michael Dong, Theophanis C. Stratopoulos, Victor Xiaoqi Wang
Abstract: This paper provides a review of recent publications and working papers on ChatGPT and related Large Language Models (LLMs) in accounting and finance. The aim is to understand the current state of research in these two areas and identify potential research opportunities for future inquiry. We identify three common themes from these earlier studies. The first theme focuses on applications of ChatGPT and LLMs in various fields of accounting and finance. The second theme utilizes ChatGPT and LLMs as a new research tool by leveraging their capabilities such as classification, summarization, and text generation. The third theme investigates implications of LLM adoption for accounting and finance professionals, as well as for various organizations and sectors. While these earlier studies provide valuable insights, they leave many important questions unanswered or partially addressed. We propose venues for further exploration and provide technical guidance for researchers seeking to employ ChatGPT and related LLMs as a tool for their research.
Authors: Yuzhou Nie, Zhun Wang, Ye Yu, Xian Wu, Xuandong Zhao, Wenbo Guo, Dawn Song
Abstract: Recent studies have discovered that LLMs have serious privacy leakage concerns, where an LLM may be fooled into outputting private information under carefully crafted adversarial prompts. These risks include leaking system prompts, personally identifiable information, training data, and model parameters. Most existing red-teaming approaches for privacy leakage rely on humans to craft the adversarial prompts. A few automated methods are proposed for system prompt extraction, but they cannot be applied to more severe risks (e.g., training data extraction) and have limited effectiveness even for system prompt extraction. In this paper, we propose PrivAgent, a novel black-box red-teaming framework for LLM privacy leakage. We formulate different risks as a search problem with a unified attack goal. Our framework trains an open-source LLM through reinforcement learning as the attack agent to generate adversarial prompts for different target models under different risks. We propose a novel reward function to provide effective and fine-grained rewards for the attack agent. Finally, we introduce customizations to better fit our general framework to system prompt extraction and training data extraction. Through extensive evaluations, we first show that PrivAgent outperforms existing automated methods in system prompt leakage against six popular LLMs. Notably, our approach achieves a 100% success rate in extracting system prompts from real-world applications in OpenAI's GPT Store. We also show PrivAgent's effectiveness in extracting training data from an open-source LLM with a success rate of 5.9%. We further demonstrate PrivAgent's effectiveness in evading the existing guardrail defense and its helpfulness in enabling better safety alignment. Finally, we validate our customized designs through a detailed ablation study. We release our code here https://github.com/rucnyz/RedAgent.
Authors: Taehyeun Kim, Robin Inho Kee, Ilya Kolmanovsky, Anouck Girard
Abstract: This paper develops a Time Shift Governor (TSG)-based control scheme to enforce constraints during rendezvous and docking (RD) missions in the setting of the Two-Body problem. As an add-on scheme to the nominal closed-loop system, the TSG generates a time-shifted Chief spacecraft trajectory as a target reference for the Deputy spacecraft. This modification of the commanded reference trajectory ensures that constraints are enforced while the time shift is reduced to zero to effect the rendezvous. Our approach to TSG implementation integrates an LSTM neural network which approximates the time shift parameter as a function of a sequence of past Deputy and Chief spacecraft states. This LSTM neural network is trained offline from simulation data. We report simulation results for RD missions in the Low Earth Orbit (LEO) and on the Molniya orbit to demonstrate the effectiveness of the proposed control scheme. The proposed scheme reduces the time to compute the time shift parameter in most of the scenarios and successfully completes rendezvous missions.
Authors: Reed Chen, Courtney Trutna Paley, Wren Wightman, Lisa Hobson-Webb, Yohei Harada, Felix Jin, Ouwen Huang, Mark Palmeri, Kathryn Nightingale
Abstract: Research ultrasound scanners such as the Verasonics Vantage often lack the advanced image processing algorithms used by clinical systems. Image quality is even lower in plane wave imaging - often used for shear wave elasticity imaging (SWEI) - which sacrifices spatial resolution for temporal resolution. As a result, delay-and-summed images acquired from SWEI have limited interpretability. In this project, a two-stage machine learning model was trained to enhance single plane wave images of muscle acquired with a Verasonics Vantage system. The first stage of the model consists of a U-Net trained to emulate plane wave compounding, histogram matching, and unsharp masking using paired images. The second stage consists of a CycleGAN trained to emulate clinical muscle B-modes using unpaired images. This two-stage model was implemented on the Verasonics Vantage research ultrasound scanner, and its ability to provide high-speed image formation at a frame rate of 28.5 +/- 0.6 FPS from a single plane wave transmit was demonstrated. A reader study with two physicians demonstrated that these processed images had significantly greater structural fidelity and less speckle than the original plane wave images.
Authors: Jing Zhou, Chunlin Li
Abstract: Understanding how changes in explanatory features affect the unconditional distribution of the outcome is important in many applications. However, existing black-box predictive models are not readily suited for analyzing such questions. In this work, we develop an approximation method to compute the feature importance curves relevant to the unconditional distribution of outcomes, while leveraging the power of pre-trained black-box predictive models. The feature importance curves measure the changes across quantiles of outcome distribution given an external impact of change in the explanatory features. Through extensive numerical experiments and real data examples, we demonstrate that our approximation method produces sparse and faithful results, and is computationally efficient.
Authors: James Matthew Young, O. Deniz Akyildiz
Abstract: With the advent of diffusion models, new proteins can be generated at an unprecedented rate. The \textit{motif scaffolding problem} requires steering this generative process to yield proteins with a desirable functional substructure -- a motif. While models have been trained to take the motif as conditional input, recent techniques in diffusion posterior sampling can be leveraged as zero-shot alternatives whose approximations can be corrected with sequential Monte Carlo (SMC) algorithms. In this work, we introduce a new set of guidance potentials to describe and solve scaffolding tasks by adapting SMC-aided diffusion posterior samplers with an unconditional model, Genie, acting as a prior. Against established benchmarks, we successfully scaffold several single-motif and multi-motif problems. The latter is possible by pairing reconstruction guidance with $\mathrm{SE}(3)$-invariant potentials. In the single-motif case, we find these potentials perform comparably to the conventional masking approach and that reconstruction guidance outperforms replacement methods when aided with SMC. We additionally consider a guidance potential for point symmetry constraints and produce designable internally symmetric monomers with our setup. Overall, this work highlights the capabilities and areas for improvement of zero-shot posterior samplers in motif scaffolding tasks. Code is available at: https://github.com/matsagad/mres-project
Authors: Kaiwen Zha, Lijun Yu, Alireza Fathi, David A. Ross, Cordelia Schmid, Dina Katabi, Xiuye Gu
Abstract: Image tokenization, the process of transforming raw image pixels into a compact low-dimensional latent representation, has proven crucial for scalable and efficient image generation. However, mainstream image tokenization methods generally have limited compression rates, making high-resolution image generation computationally expensive. To address this challenge, we propose to leverage language for efficient image tokenization, and we call our method Text-Conditioned Image Tokenization (TexTok). TexTok is a simple yet effective tokenization framework that leverages language to provide high-level semantics. By conditioning the tokenization process on descriptive text captions, TexTok allows the tokenization process to focus on encoding fine-grained visual details into latent tokens, leading to enhanced reconstruction quality and higher compression rates. Compared to the conventional tokenizer without text conditioning, TexTok achieves average reconstruction FID improvements of 29.2% and 48.1% on ImageNet-256 and -512 benchmarks respectively, across varying numbers of tokens. These tokenization improvements consistently translate to 16.3% and 34.3% average improvements in generation FID. By simply replacing the tokenizer in Diffusion Transformer (DiT) with TexTok, our system can achieve a 93.5x inference speedup while still outperforming the original DiT using only 32 tokens on ImageNet-512. TexTok with a vanilla DiT generator achieves state-of-the-art FID scores of 1.46 and 1.62 on ImageNet-256 and -512 respectively. Furthermore, we demonstrate TexTok's superiority on the text-to-image generation task, effectively utilizing the off-the-shelf text captions in tokenization.
Authors: Leigang Qu, Haochuan Li, Wenjie Wang, Xiang Liu, Juncheng Li, Liqiang Nie, Tat-Seng Chua
Abstract: Large Multimodal Models (LMMs) have demonstrated impressive capabilities in multimodal understanding and generation, pushing forward advancements in text-to-image generation. However, achieving accurate text-image alignment for LMMs, particularly in compositional scenarios, remains challenging. Existing approaches, such as layout planning for multi-step generation and learning from human feedback or AI feedback, depend heavily on prompt engineering, costly human annotations, and continual upgrading, limiting flexibility and scalability. In this work, we introduce a model-agnostic iterative self-improvement framework (SILMM) that can enable LMMs to provide helpful and scalable self-feedback and optimize text-image alignment via Direct Preference Optimization (DPO). DPO can readily applied to LMMs that use discrete visual tokens as intermediate image representations; while it is less suitable for LMMs with continuous visual features, as obtaining generation probabilities is challenging. To adapt SILMM to LMMs with continuous features, we propose a diversity mechanism to obtain diverse representations and a kernel-based continuous DPO for alignment. Extensive experiments on three compositional text-to-image generation benchmarks validate the effectiveness and superiority of SILMM, showing improvements exceeding 30% on T2I-CompBench++ and around 20% on DPG-Bench.
Authors: Hao Chen, Hui Guo, Baochen Hu, Shu Hu, Jinrong Hu, Siwei Lyu, Xi Wu, Xin Wang
Abstract: The rapid growth of social media has resulted in an explosion of online news content, leading to a significant increase in the spread of misleading or false information. While machine learning techniques have been widely applied to detect fake news, the scarcity of labeled datasets remains a critical challenge. Misinformation frequently appears as paired text and images, where a news article or headline is accompanied by a related visuals. In this paper, we introduce a self-learning multimodal model for fake news classification. The model leverages contrastive learning, a robust method for feature extraction that operates without requiring labeled data, and integrates the strengths of Large Language Models (LLMs) to jointly analyze both text and image features. LLMs are excel at this task due to their ability to process diverse linguistic data drawn from extensive training corpora. Our experimental results on a public dataset demonstrate that the proposed model outperforms several state-of-the-art classification approaches, achieving over 85% accuracy, precision, recall, and F1-score. These findings highlight the model's effectiveness in tackling the challenges of multimodal fake news detection.
Authors: Sultan Ahmed, Salman Rakin, Mohammad Washeef Ibn Waliur, Nuzhat Binte Islam, Billal Hossain, Md. Mostofa Akbar
Abstract: Emotion artificial intelligence is a field of study that focuses on figuring out how to recognize emotions, especially in the area of text mining. Today is the age of social media which has opened a door for us to share our individual expressions, emotions, and perspectives on any event. We can analyze sentiment on social media posts to detect positive, negative, or emotional behavior toward society. One of the key challenges in sentiment analysis is to identify depressed text from social media text that is a root cause of mental ill-health. Furthermore, depression leads to severe impairment in day-to-day living and is a major source of suicide incidents. In this paper, we apply natural language processing techniques on Facebook texts for conducting emotion analysis focusing on depression using multiple machine learning algorithms. Preprocessing steps like stemming, stop word removal, etc. are used to clean the collected data, and feature extraction techniques like stylometric feature, TF-IDF, word embedding, etc. are applied to the collected dataset which consists of 983 texts collected from social media posts. In the process of class prediction, LSTM, GRU, support vector machine, and Naive-Bayes classifiers have been used. We have presented the results using the primary classification metrics including F1-score, and accuracy. This work focuses on depression detection from social media posts to help psychologists to analyze sentiment from shared posts which may reduce the undesirable behaviors of depressed individuals through diagnosis and treatment.
Authors: Yuliya Burankova, Julian Klemm, Jens J. G. Lohmann, Ahmad Taheri, Niklas Probul, Jan Baumbach, Olga Zolotareva
Abstract: Batch effects in omics data obscure true biological signals and constitute a major challenge for privacy-preserving analyses of distributed patient data. Existing batch effect correction methods either require data centralization, which may easily conflict with privacy requirements, or lack support for missing values and automated workflows. To bridge this gap, we developed fedRBE, a federated implementation of limma's removeBatchEffect method. We implemented it as an app for the FeatureCloud platform. Unlike its existing analogs, fedRBE effectively handles data with missing values and offers an automated, user-friendly online user interface (https://featurecloud.ai/app/fedrbe). Leveraging secure multi-party computation provides enhanced security guarantees over classical federated learning approaches. We evaluated our fedRBE algorithm on simulated and real omics data, achieving performance comparable to the centralized method with negligible differences (no greater than 3.6E-13). By enabling collaborative correction without data sharing, fedRBE facilitates large-scale omics studies where batch effect correction is crucial.
Authors: Lucky Li
Abstract: We study the discrete-time linear-quadratic (LQ) control model using reinforcement learning (RL). Using entropy to measure the cost of exploration, we prove that the optimal feedback policy for the problem must be Gaussian type. Then, we apply the results of the discrete-time LQ model to solve the discrete-time mean-variance asset-liability management problem and prove our RL algorithm's policy improvement and convergence. Finally, a numerical example sheds light on the theoretical results established using simulations.
Authors: Xiao Xu, Tianhao Niu, Yuxi Xie, Libo Qin, Wanxiang Che, Min-Yen Kan
Abstract: Multimodal Large Language Models (MLLMs) excel in vision--language tasks by pre-training solely on coarse-grained concept annotations (e.g., image captions). We hypothesize that integrating fine-grained concept annotations (e.g., object labels and object regions) will further improve performance, as both data granularities complement each other in terms of breadth and depth in concept representation. We introduce a new dataset featuring Multimodal Multi-Grained Concept annotations (MMGiC) for MLLMs. In constructing MMGiC, we explore the impact of different data recipes on multimodal comprehension and generation. Our analyses reveal that multi-grained concept annotations integrate and complement each other, under our structured template and a general MLLM framework. We clearly explore and demonstrate the potential of MMGiC to help MLLMs better locate and learn concepts, aligning vision and language at multiple granularities. We further validate our hypothesis by investigating the fair comparison and effective collaboration between MMGiC and image--caption data on 12 multimodal comprehension and generation benchmarks, e.g., their appropriate combination achieve 3.95% and 2.34% absolute improvements over image--caption data alone on POPE and SEED-Bench. Code, data and models will be available at https://github.com/LooperXX/MMGiC.
Authors: Juan Yeo, Jinkwan Jang, Kyubyung Chae, Seongkyu Mun, Taesup Kim
Abstract: Recent studies show that pretrained vision models can boost performance in audio downstream tasks. To enhance the performance further, an additional pretraining stage with large scale audio data is typically required to infuse audio specific knowledge into the vision model. However, such approaches require extensive audio data and a carefully designed objective function. In this work, we propose bypassing the pretraining stage by directly fine-tuning the vision model with our Look Aside Adapter (LoAA) designed for efficient audio understanding. Audio spectrum data is represented across two heterogeneous dimensions time and frequency and we refine adapters to facilitate interactions between tokens across these dimensions. Our experiments demonstrate that our adapters allow vision models to reach or surpass the performance of pretrained audio models in various audio and speech tasks, offering a resource efficient and effective solution for leveraging vision models in audio applications.
Authors: Damien de Mijolla, Wen Yang, Philippa Duckett, Christopher Frye, Mark Worrall
Abstract: Prompting and fine-tuning have emerged as two competing paradigms for augmenting language models with new capabilities, such as the use of tools. Prompting approaches are quick to set up but rely on providing explicit demonstrations of each tool's usage in the model's prompt, thus coupling tool use to the task at hand and limiting generalisation. Fine-tuning removes the need for task-specific demonstrations of tool usage at runtime; however, this ties new capabilities to a single model, thus making already-heavier setup costs a recurring expense. In this paper, we introduce language hooks, a novel framework for augmenting language models with new capabilities that is decoupled both from the model's task-specific prompt and from the model itself. The language hook algorithm interleaves text generation by the base model with the execution of modular programs that trigger conditionally based on the existing text and the available capabilities. Upon triggering, programs may call external tools, auxiliary language models (e.g. using tool specific prompts), and modify the existing context. We benchmark our method against state-of-the-art baselines, find that it outperforms task-aware approaches, and demonstrate its ability to generalise to novel tasks.
Authors: Zhenyu Hou, Pengfan Du, Yilin Niu, Zhengxiao Du, Aohan Zeng, Xiao Liu, Minlie Huang, Hongning Wang, Jie Tang, Yuxiao Dong
Abstract: This study explores the scaling properties of Reinforcement Learning from Human Feedback (RLHF) in Large Language Models (LLMs). Although RLHF is considered an important step in post-training of LLMs, its scaling potential is still largely unknown. We systematically analyze key components in the RLHF framework--model size, data composition, and inference budget--and their impacts on performance. Our findings show that increasing data diversity and volume improves reward model performance, helping process-supervision models scale better. For policy training, more response samples per prompt boost performance initially but quickly plateau. And larger reward models offer modest gains in policy training. In addition, larger policy models benefit less from RLHF with a fixed reward model. Overall, RLHF scales less efficiently than pretraining, with diminishing returns from additional computational resources. Based on these observations, we propose strategies to optimize RLHF performance within computational limits.
Authors: Jebish Purbey, Drishti Sharma, Siddhant Gupta, Khawaja Murad, Siddartha Pullakhandam, Ram Mohan Rao Kadiyala
Abstract: This paper presents the system description of our entry for the COLING 2025 RegNLP RIRAG (Regulatory Information Retrieval and Answer Generation) challenge, focusing on leveraging advanced information retrieval and answer generation techniques in regulatory domains. We experimented with a combination of embedding models, including Stella, BGE, CDE, and Mpnet, and leveraged fine-tuning and reranking for retrieving relevant documents in top ranks. We utilized a novel approach, LeSeR, which achieved competitive results with a recall@10 of 0.8201 and map@10 of 0.6655 for retrievals. This work highlights the transformative potential of natural language processing techniques in regulatory applications, offering insights into their capabilities for implementing a retrieval augmented generation system while identifying areas for future improvement in robustness and domain adaptation.
Authors: Anton Baumann, Rui Li, Marcus Klasson, Santeri Mentu, Shyamgopal Karthik, Zeynep Akata, Arno Solin, Martin Trapp
Abstract: Vision-language models (VLMs), such as CLIP and SigLIP, have found remarkable success in classification, retrieval, and generative tasks. For this, VLMs deterministically map images and text descriptions to a joint latent space in which their similarity is assessed using the cosine similarity. However, a deterministic mapping of inputs fails to capture uncertainties over concepts arising from domain shifts when used in downstream tasks. In this work, we propose post-hoc uncertainty estimation in VLMs that does not require additional training. Our method leverages a Bayesian posterior approximation over the last layers in VLMs and analytically quantifies uncertainties over cosine similarities. We demonstrate its effectiveness for uncertainty quantification and support set selection in active learning. Compared to baselines, we obtain improved and well-calibrated predictive uncertainties, interpretable uncertainty estimates, and sample-efficient active learning. Our results show promise for safety-critical applications of large-scale models.
Authors: Hyeonho Jeong, Chun-Hao Paul Huang, Jong Chul Ye, Niloy Mitra, Duygu Ceylan
Abstract: While recent foundational video generators produce visually rich output, they still struggle with appearance drift, where objects gradually degrade or change inconsistently across frames, breaking visual coherence. We hypothesize that this is because there is no explicit supervision in terms of spatial tracking at the feature level. We propose Track4Gen, a spatially aware video generator that combines video diffusion loss with point tracking across frames, providing enhanced spatial supervision on the diffusion features. Track4Gen merges the video generation and point tracking tasks into a single network by making minimal changes to existing video generation architectures. Using Stable Video Diffusion as a backbone, Track4Gen demonstrates that it is possible to unify video generation and point tracking, which are typically handled as separate tasks. Our extensive evaluations show that Track4Gen effectively reduces appearance drift, resulting in temporally stable and visually coherent video generation. Project page: hyeonho99.github.io/Track4Gen
Authors: Akshat Choube, Rahul Majethia, Sohini Bhattacharya, Vedant Das Swain, Jiachen Li, Varun Mishra
Abstract: Longitudinal passive sensing studies for health and behavior outcomes often have missing and incomplete data. Handling missing data effectively is thus a critical data processing and modeling step. Our formative interviews with researchers working in longitudinal health and behavior passive sensing revealed a recurring theme: most researchers consider imputation a low-priority step in their analysis and inference pipeline, opting to use simple and off-the-shelf imputation strategies without comprehensively evaluating its impact on study outcomes. Through this paper, we call attention to the importance of imputation. Using publicly available passive sensing datasets for depression, we show that prioritizing imputation can significantly impact the study outcomes -- with our proposed imputation strategies resulting in up to 31% improvement in AUROC to predict depression over the original imputation strategy. We conclude by discussing the challenges and opportunities with effective imputation in longitudinal sensing studies.
Authors: Andrew Jesson, Nicolas Beltran-Velez, David Blei
Abstract: This work is about estimating when a conditional generative model (CGM) can solve an in-context learning (ICL) problem. An in-context learning (ICL) problem comprises a CGM, a dataset, and a prediction task. The CGM could be a multi-modal foundation model; the dataset, a collection of patient histories, test results, and recorded diagnoses; and the prediction task to communicate a diagnosis to a new patient. A Bayesian interpretation of ICL assumes that the CGM computes a posterior predictive distribution over an unknown Bayesian model defining a joint distribution over latent explanations and observable data. From this perspective, Bayesian model criticism is a reasonable approach to assess the suitability of a given CGM for an ICL problem. However, such approaches -- like posterior predictive checks (PPCs) -- often assume that we can sample from the likelihood and posterior defined by the Bayesian model, which are not explicitly given for contemporary CGMs. To address this, we show when ancestral sampling from the predictive distribution of a CGM is equivalent to sampling datasets from the posterior predictive of the assumed Bayesian model. Then we develop the generative predictive $p$-value, which enables PPCs and their cousins for contemporary CGMs. The generative predictive $p$-value can then be used in a statistical decision procedure to determine when the model is appropriate for an ICL problem. Our method only requires generating queries and responses from a CGM and evaluating its response log probability. We empirically evaluate our method on synthetic tabular, imaging, and natural language ICL tasks using large language models.
Authors: Seyed Mohsen Hosseini, Mahdieh Soleymani Baghshah
Abstract: A novel method for tackling the problem of imbalanced data in medical image segmentation is proposed in this work. In balanced cross entropy (CE) loss, which is a type of weighted CE loss, the weight assigned to each class is the in-verse of the class frequency. These balancing weights are expected to equalize the effect of each class on the overall loss and prevent the model from being biased towards the majority class. But, as it has been shown in previous studies, this method degrades the performance by a large margin. Therefore, balanced CE is not a popular loss in medical segmentation tasks, and usually a region-based loss, like the Dice loss, is used to address the class imbalance problem. In the pro-posed method, the weighting of cross entropy loss for each class is based on a dilated area of each class mask, and balancing weights are assigned to each class together with its surrounding pixels. The goal of this study is to show that the performance of balanced CE loss can be greatly improved my modifying its weighting strategy. Experiments on different datasets show that the proposed dilated balanced CE (DBCE) loss outperforms the balanced CE loss by a large margin and produces superior results compared to CE loss, and its performance is similar to the performance of the combination of Dice and CE loss. This means that a weighted cross entropy loss with the right weighing strategy can be as effective as a region-based loss in handling the problem of class imbalance in medical segmentation tasks.
Authors: Stephan Thaler, Cristian Gabellini, Nikhil Shenoy, Prudencio Tossou
Abstract: Neural network potentials (NNPs) offer a fast and accurate alternative to ab-initio methods for molecular dynamics (MD) simulations but are hindered by the high cost of training data from high-fidelity Quantum Mechanics (QM) methods. Our work introduces the Implicit Delta Learning (IDLe) method, which reduces the need for high-fidelity QM data by leveraging cheaper semi-empirical QM computations without compromising NNP accuracy or inference cost. IDLe employs an end-to-end multi-task architecture with fidelity-specific heads that decode energies based on a shared latent representation of the input atomistic system. In various settings, IDLe achieves the same accuracy as single high-fidelity baselines while using up to 50x less high-fidelity data. This result could significantly reduce data generation cost and consequently enhance accuracy and generalization, and expand chemical coverage for NNPs, advancing MD simulations for material science and drug discovery. Additionally, we provide a novel set of 11 million semi-empirical QM calculations to support future multi-fidelity NNP modeling.
Authors: Fan Wang, Juyong Jiang, Chansung Park, Sunghun Kim, Jing Tang
Abstract: The increasing sizes of large language models (LLMs) result in significant computational overhead and memory usage when adapting these models to specific tasks or domains. Various parameter-efficient fine-tuning (PEFT) methods have been devised to mitigate these challenges by training a small set of parameters for the task-specific updates of the model weights. Among PEFT methods, LoRA stands out for its simplicity and efficiency, inspiring the development of a series of variants. However, LoRA and its successors disregard the knowledge that is noisy or irrelevant to the targeted task, detrimentally impacting model performance and leading to suboptimality. To address this limitation, we introduce Knowledge-aware Singular-value Adaptation (KaSA), a PEFT method that leverages singular value decomposition (SVD) with knowledge-aware singular values to dynamically activate knowledge based on its relevance to the task at hand. We conduct extensive experiments across a range of LLMs on tasks spanning natural language understanding (NLU), generation (NLG), instruction following, and commonsense reasoning. The experimental results demonstrate that KaSA consistently outperforms FFT and 14 popular PEFT baselines across 16 benchmarks and 4 synthetic datasets, underscoring our method's efficacy and adaptability. The source code of our method is available at https://github.com/juyongjiang/KaSA.
Authors: Yuemei Ren, Liang Liao, Stephen John Maybank, Yanning Zhang, Xin Liu
Abstract: This paper addresses the challenge of spectral-spatial feature extraction for hyperspectral image classification by introducing a novel tensor-based framework. The proposed approach incorporates circular convolution into a tensor structure to effectively capture and integrate both spectral and spatial information. Building upon this framework, the traditional Principal Component Analysis (PCA) technique is extended to its tensor-based counterpart, referred to as Tensor Principal Component Analysis (TPCA). The proposed TPCA method leverages the inherent multi-dimensional structure of hyperspectral data, thereby enabling more effective feature representation. Experimental results on benchmark hyperspectral datasets demonstrate that classification models using TPCA features consistently outperform those using traditional PCA and other state-of-the-art techniques. These findings highlight the potential of the tensor-based framework in advancing hyperspectral image analysis.
Authors: Nicholas Alonso, Beren Millidge
Abstract: Recent advances have extended the context window of frontier LLMs dramatically, from a few thousand tokens up to millions, enabling entire books and codebases to fit into context. However, the compute costs of inferencing long-context LLMs are massive and often prohibitive in practice. RAG offers an efficient and effective alternative: retrieve and process only the subset of the context most important for the current task. Although promising, recent work applying RAG to long-context tasks has two core limitations: 1) there has been little focus on making the RAG pipeline compute efficient, and 2) such works only test on simple QA tasks, and their performance on more challenging tasks is unclear. To address this, we develop an algorithm based on PageRank, a graph-based retrieval algorithm, which we call mixture-of-PageRanks (MixPR). MixPR uses a mixture of PageRank-based graph-retrieval algorithms implemented using sparse matrices for efficent, cheap retrieval that can deal with a variety of complex tasks. Our MixPR retriever achieves state-of-the-art results across a wide range of long-context benchmark tasks, outperforming both existing RAG methods, specialized retrieval architectures, and long-context LLMs despite being far more compute efficient. Due to using sparse embeddings, our retriever is extremely compute efficient, capable of embedding and retrieving millions of tokens within a few seconds and runs entirely on CPU.
Authors: Johann Rehberger (Independent Researcher, Embrace The Red)
Abstract: The CIA security triad - Confidentiality, Integrity, and Availability - is a cornerstone of data and cybersecurity. With the emergence of large language model (LLM) applications, a new class of threat, known as prompt injection, was first identified in 2022. Since then, numerous real-world vulnerabilities and exploits have been documented in production LLM systems, including those from leading vendors like OpenAI, Microsoft, Anthropic and Google. This paper compiles real-world exploits and proof-of concept examples, based on the research conducted and publicly documented by the author, demonstrating how prompt injection undermines the CIA triad and poses ongoing risks to cybersecurity and AI systems at large.
Authors: Vincent Gherold, Ioannis Mandralis, Eric Sihite, Adarsh Salagame, Alireza Ramezani, Morteza Gharib
Abstract: Autonomous robots operating in real environments are often faced with decisions on how best to navigate their surroundings. In this work, we address a particular instance of this problem: how can a robot autonomously decide on the energetically optimal path to follow given a high-level objective and information about the surroundings? To tackle this problem we developed a self-supervised learning method that allows the robot to estimate the cost of transport of its surroundings using only vision inputs. We apply our method to the multi-modal mobility morphobot (M4), a robot that can drive, fly, segway, and crawl through its environment. By deploying our system in the real world, we show that our method accurately assigns different cost of transports to various types of environments e.g. grass vs smooth road. We also highlight the low computational cost of our method, which is deployed on an Nvidia Jetson Orin Nano robotic compute unit. We believe that this work will allow multi-modal robotic platforms to unlock their full potential for navigation and exploration tasks.
Authors: Kaleel Mahmood, Shaoyi Huang
Abstract: The Transformer architecture has revolutionized the Natural Language Processing field and is the backbone of Large Language Models (LLMs). The Transformer uses the attention mechanism that computes the pair-wise similarity between its input tokens to produce latent vectors that are able to understand the semantic meaning of the input text. One of the challenges in the Transformer architecture is the quadratic complexity of the attention mechanism that prohibits the efficient processing of long sequence lengths. While many recent research works have attempted to provide a reduction from $O(n^2)$ time complexity of attention to semi-linear complexity, it remains an unsolved problem in the sense of maintaining a high performance when such complexity is reduced. One of the important works in this respect is the Perceiver class of architectures that have demonstrated excellent performance while reducing the computation complexity. In this paper, we use the PerceiverAR that was proposed for Auto-Regressive modeling as a baseline, and provide three different architectural enhancements to it with varying computation overhead tradeoffs. Inspired by the recently proposed efficient attention computation approach of Long-LoRA, we then present an equally efficient Perceiver-based architecture (termed as Long LoRA Pereceiver - LLP) that can be used as the base architecture in LLMs instead of just a fine-tuning add-on. Our results on different benchmarks indicate impressive improvements compared to recent Transformer based models.
Authors: Qiyang Han, Koulik Khamaru, Cun-Hui Zhang
Abstract: Upper Confidence Bound (UCB) algorithms are a widely-used class of sequential algorithms for the $K$-armed bandit problem. Despite extensive research over the past decades aimed at understanding their asymptotic and (near) minimax optimality properties, a precise understanding of their regret behavior remains elusive. This gap has not only hindered the evaluation of their actual algorithmic efficiency, but also limited further developments in statistical inference in sequential data collection. This paper bridges these two fundamental aspects--precise regret analysis and adaptive statistical inference--through a deterministic characterization of the number of arm pulls for an UCB index algorithm [Lai87, Agr95, ACBF02]. Our resulting precise regret formula not only accurately captures the actual behavior of the UCB algorithm for finite time horizons and individual problem instances, but also provides significant new insights into the regimes in which the existing theory remains informative. In particular, we show that the classical Lai-Robbins regret formula is exact if and only if the sub-optimality gaps exceed the order $\sigma\sqrt{K\log T/T}$. We also show that its maximal regret deviates from the minimax regret by a logarithmic factor, and therefore settling its strict minimax optimality in the negative. The deterministic characterization of the number of arm pulls for the UCB algorithm also has major implications in adaptive statistical inference. Building on the seminal work of [Lai82], we show that the UCB algorithm satisfies certain stability properties that lead to quantitative central limit theorems in two settings including the empirical means of unknown rewards in the bandit setting. These results have an important practical implication: conventional confidence sets designed for i.i.d. data remain valid even when data are collected sequentially.
Authors: Kangyu Zhu, Peng Xia, Yun Li, Hongtu Zhu, Sheng Wang, Huaxiu Yao
Abstract: The advancement of Large Vision-Language Models (LVLMs) has propelled their application in the medical field. However, Medical LVLMs (Med-LVLMs) encounter factuality challenges due to modality misalignment, where the models prioritize textual knowledge over visual input, leading to hallucinations that contradict information in medical images. Previous attempts to enhance modality alignment in Med-LVLMs through preference optimization have inadequately mitigated clinical relevance in preference data, making these samples easily distinguishable and reducing alignment effectiveness. To address this challenge, we propose MMedPO, a novel multimodal medical preference optimization approach that considers the clinical relevance of preference samples to enhance Med-LVLM alignment. MMedPO curates multimodal preference data by introducing two types of dispreference: (1) plausible hallucinations injected through target Med-LVLMs or GPT-4o to produce medically inaccurate responses, and (2) lesion region neglect achieved through local lesion-noising, disrupting visual understanding of critical areas. We then calculate clinical relevance for each sample based on scores from multiple Med-LLMs and visual tools, and integrate these scores into the preference optimization process as weights, enabling effective alignment. Our experiments demonstrate that MMedPO significantly enhances factual accuracy in Med-LVLMs, achieving substantial improvements over existing preference optimization methods by averaging 14.2% and 51.7% across the Med-VQA and report generation tasks. Our code are available in https://github.com/aiming-lab/MMedPO.
Authors: Xinpeng Liu, Junxuan Liang, Chenshuo Zhang, Zixuan Cai, Cewu Lu, Yong-Lu Li
Abstract: Analyses of human motion kinematics have achieved tremendous advances. However, the production mechanism, known as human dynamics, is still undercovered. In this paper, we aim to push data-driven human dynamics understanding forward. We identify a major obstacle to this as the heterogeneity of existing human motion understanding efforts. Specifically, heterogeneity exists in not only the diverse kinematics representations and hierarchical dynamics representations but also in the data from different domains, namely biomechanics and reinforcement learning. With an in-depth analysis of the existing heterogeneity, we propose to emphasize the beneath homogeneity: all of them represent the homogeneous fact of human motion, though from different perspectives. Given this, we propose Homogeneous Dynamics Space (HDyS) as a fundamental space for human dynamics by aggregating heterogeneous data and training a homogeneous latent space with inspiration from the inverse-forward dynamics procedure. Leveraging the heterogeneous representations and datasets, HDyS achieves decent mapping between human kinematics and dynamics. We demonstrate the feasibility of HDyS with extensive experiments and applications. The project page is https://foruck.github.io/HDyS.
Authors: Yifang Chen, Xiaoyu Li, Yingyu Liang, Zhenmei Shi, Zhao Song
Abstract: In this paper, we analyze the computational limitations of Mamba and State-space Models (SSMs) by using the circuit complexity framework. Despite Mamba's stateful design and recent attention as a strong candidate to outperform Transformers, we have demonstrated that both Mamba and SSMs with $\mathrm{poly}(n)$-precision and constant-depth layers reside within the $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ complexity class. This result indicates Mamba has the same computational capabilities as Transformer theoretically, and it cannot solve problems like arithmetic formula problems, boolean formula value problems, and permutation composition problems if $\mathsf{TC}^0 \neq \mathsf{NC}^1$. Therefore, it challenges the assumption Mamba is more computationally expressive than Transformers. Our contributions include rigorous proofs showing that Selective SSM and Mamba architectures can be simulated by $\mathsf{DLOGTIME}$-uniform $\mathsf{TC}^0$ circuits, and they cannot solve problems outside $\mathsf{TC}^0$.
Authors: Zijian Zhou, Zhenya Yan
Abstract: In this paper, we study the neural tangent kernel (NTK) for general partial differential equations (PDEs) based on physics-informed neural networks (PINNs). As we all know, the training of an artificial neural network can be converted to the evolution of NTK. We analyze the initialization of NTK and the convergence conditions of NTK during training for general PDEs. The theoretical results show that the homogeneity of differential operators plays a crucial role for the convergence of NTK. Moreover, based on the PINNs, we validate the convergence conditions of NTK using the initial value problems of the sine-Gordon equation and the initial-boundary value problem of the KdV equation.
Authors: Boyu Zhang, Triet H. M. Le, M. Ali Babar
Abstract: Software vulnerabilities can result in catastrophic cyberattacks that increasingly threaten business operations. Consequently, ensuring the safety of software systems has become a paramount concern for both private and public sectors. Recent literature has witnessed increasing exploration of learning-based approaches for software vulnerability detection. However, a key limitation of these techniques is their primary focus on a single programming language, such as C/C++, which poses constraints considering the polyglot nature of modern software projects. Further, there appears to be an oversight in harnessing the synergies of vulnerability knowledge across varied languages, potentially underutilizing the full capabilities of these methods. To address the aforementioned issues, we introduce MVD - an innovative multi-lingual vulnerability detection framework. This framework acquires the ability to detect vulnerabilities across multiple languages by concurrently learning from vulnerability data of various languages, which are curated by our specialized pipeline. We also incorporate incremental learning to enable the detection capability of MVD to be extended to new languages, thus augmenting its practical utility. Extensive experiments on our curated dataset of more than 11K real-world multi-lingual vulnerabilities substantiate that our framework significantly surpasses state-of-the-art methods in multi-lingual vulnerability detection by 83.7% to 193.6% in PR-AUC. The results also demonstrate that MVD detects vulnerabilities well for new languages without compromising the detection performance of previously trained languages, even when training data for the older languages is unavailable. Overall, our findings motivate and pave the way for the prediction of multi-lingual vulnerabilities in modern software systems.
Authors: Robert Dilworth, Charan Gudla
Abstract: This paper explores the relatively underexplored application of Positive Unlabeled (PU) Learning and Negative Unlabeled (NU) Learning in the cybersecurity domain. While these semi-supervised learning methods have been applied successfully in fields like medicine and marketing, their potential in cybersecurity remains largely untapped. The paper identifies key areas of cybersecurity--such as intrusion detection, vulnerability management, malware detection, and threat intelligence--where PU/NU learning can offer significant improvements, particularly in scenarios with imbalanced or limited labeled data. We provide a detailed problem formulation for each subfield, supported by mathematical reasoning, and highlight the specific challenges and research gaps in scaling these methods to real-time systems, addressing class imbalance, and adapting to evolving threats. Finally, we propose future directions to advance the integration of PU/NU learning in cybersecurity, offering solutions that can better detect, manage, and mitigate emerging cyber threats.
Authors: Leon Fernando, Billy Pik Lik Lau, Chau Yuen, U-Xuan Tan
Abstract: The rapid advancements in unmanned aerial vehicles (UAVs) have unlocked numerous applications, including environmental monitoring, disaster response, and agricultural surveying. Enhancing the collective behavior of multiple decentralized UAVs can significantly improve these applications through more efficient and coordinated operations. In this study, we explore a Recurrent PPO model for target localization in perceptually degraded environments like places without GNSS/GPS signals. We first developed a single-drone approach for target identification, followed by a decentralized two-drone model. Our approach can utilize two types of sensors on the UAVs, a detection sensor and a target signal sensor. The single-drone model achieved an accuracy of 93%, while the two-drone model achieved an accuracy of 86%, with the latter requiring fewer average steps to locate the target. This demonstrates the potential of our method in UAV swarms, offering efficient and effective localization of radiant targets in complex environmental conditions.
Authors: Yong He, Zeyu Li, Dong Liu, Kangxiang Qin, Jiahui Xie
Abstract: We propose to transfer representational knowledge from multiple sources to a target noisy matrix completion task by aggregating singular subspaces information. Under our representational similarity framework, we first integrate linear representation information by solving a two-way principal component analysis problem based on a properly debiased matrix-valued dataset. After acquiring better column and row representation estimators from the sources, the original high-dimensional target matrix completion problem is then transformed into a low-dimensional linear regression, of which the statistical efficiency is guaranteed. A variety of extensional arguments, including post-transfer statistical inference and robustness against negative transfer, are also discussed alongside. Finally, extensive simulation results and a number of real data cases are reported to support our claims.
Authors: Michael Yeung, Toya Teramoto, Songtao Wu, Tatsuo Fujiwara, Kenji Suzuki, Tamaki Kojima
Abstract: The use of large-scale, web-scraped datasets to train face recognition models has raised significant privacy and bias concerns. Synthetic methods mitigate these concerns and provide scalable and controllable face generation to enable fair and accurate face recognition. However, existing synthetic datasets display limited intraclass and interclass diversity and do not match the face recognition performance obtained using real datasets. Here, we propose VariFace, a two-stage diffusion-based pipeline to create fair and diverse synthetic face datasets to train face recognition models. Specifically, we introduce three methods: Face Recognition Consistency to refine demographic labels, Face Vendi Score Guidance to improve interclass diversity, and Divergence Score Conditioning to balance the identity preservation-intraclass diversity trade-off. When constrained to the same dataset size, VariFace considerably outperforms previous synthetic datasets (0.9200 $\rightarrow$ 0.9405) and achieves comparable performance to face recognition models trained with real data (Real Gap = -0.0065). In an unconstrained setting, VariFace not only consistently achieves better performance compared to previous synthetic methods across dataset sizes but also, for the first time, outperforms the real dataset (CASIA-WebFace) across six evaluation datasets. This sets a new state-of-the-art performance with an average face verification accuracy of 0.9567 (Real Gap = +0.0097) across LFW, CFP-FP, CPLFW, AgeDB, and CALFW datasets and 0.9366 (Real Gap = +0.0380) on the RFW dataset.
Authors: Marsha Mariya Kappan, Joby George
Abstract: A kind of pancreatic cancer called Pancreatic Ductal Adenocarcinoma (PDAC) is anticipated to be one of the main causes of mortality during past years. Evidence from several researches supported the concept that the oncogenic KRAS (Ki-ras2 Kirsten rat sarcoma viral oncogene) mutation is the major cause of pancreatic cancer. KRAS acts as an on-off switch that promotes cell growth. But when the KRAS gene is mutated, it will be in one position, allowing the cell growth uncontrollably. This uncontrollable multiplication of cells causes cancer growth. Therefore, KRAS was selected as the target protein in the study. Fifty plant-derived compounds are selected for the study. To determine whether the examined drugs could bind to the KRAS complex's binding pocket, molecular docking was performed. Computational analyses were used to assess the possible ability of tested substances to pass the Blood Brain Barrier (BBB). To predict the bioactivity of ligands a machine learning model was created. Five machine learning models were created and have chosen the best one among them for analyzing the bioactivity of each ligand. From the fifty plant-derived compounds the compounds with the least binding energies are selected. Then bioactivity of these six compounds is analyzed using Random Forest Regression model. Adsorption, Distribution, Metabolism, Excretion (ADME) properties of compounds are analyzed. The results showed that borneol has powerful effects and acts as a promising agent for the treatment of pancreatic cancer. This suggests that borneol found in plants like mint, ginger, rosemary, etc., is a successful compound for the treatment of pancreatic cancer.
Authors: Zhen Qi, Jiajing Chen, Shuo Wang, Bingying Liu, Hongye Zheng, Chihang Wang
Abstract: This study aims to explore the performance improvement method of large language models based on GPT-4 under the multi-task learning framework and conducts experiments on two tasks: text classification and automatic summary generation. Through the combined design of shared feature extractors and task-specific modules, we achieve knowledge-sharing and optimization of multiple tasks in the same model. The experiment uses multiple subtasks of the GLUE dataset to compare the performance of the multi-task model with the single-task GPT-4, the multi-task version of GPT-3, the BERT basic model, and the classic Bi-LSTM with Attention model. The results show that the proposed multi-task learning model outperforms other comparison models in terms of text classification accuracy and ROUGE value of summary generation, demonstrating the advantages of multi-task learning in improving model generalization ability and collaborative learning between tasks. The model maintains a stable loss convergence rate during training, showing good learning efficiency and adaptability to the test set. This study verifies the applicability of the multi-task learning framework in large language models, especially in improving the model's ability to balance different tasks. In the future, with the combination of large language models and multimodal data and the application of dynamic task adjustment technology, the framework based on multi-task learning is expected to play a greater role in practical applications across fields and provide new ideas for the development of general artificial intelligence.
Authors: Junqiao Wang, Zhongliang Yu, Dong Zhou, Jiaqi Shi, Runran Deng
Abstract: The capability of UAVs for efficient autonomous navigation and obstacle avoidance in complex and unknown environments is critical for applications in agricultural irrigation, disaster relief and logistics. In this paper, we propose the DPRL (Distributed Privileged Reinforcement Learning) navigation algorithm, an end-to-end policy designed to address the challenge of high-speed autonomous UAV navigation under partially observable environmental conditions. Our approach combines deep reinforcement learning with privileged learning to overcome the impact of observation data corruption caused by partial observability. We leverage an asymmetric Actor-Critic architecture to provide the agent with privileged information during training, which enhances the model's perceptual capabilities. Additionally, we present a multi-agent exploration strategy across diverse environments to accelerate experience collection, which in turn expedites model convergence. We conducted extensive simulations across various scenarios, benchmarking our DPRL algorithm against the state-of-the-art navigation algorithms. The results consistently demonstrate the superior performance of our algorithm in terms of flight efficiency, robustness and overall success rate.
Authors: Shuangfei Zhai, Ruixiang Zhang, Preetum Nakkiran, David Berthelot, Jiatao Gu, Huangjie Zheng, Tianrong Chen, Miguel Angel Bautista, Navdeep Jaitly, Josh Susskind
Abstract: Normalizing Flows (NFs) are likelihood-based models for continuous inputs. They have demonstrated promising results on both density estimation and generative modeling tasks, but have received relatively little attention in recent years. In this work, we demonstrate that NFs are more powerful than previously believed. We present \textit{TarFlow}: a simple and scalable architecture that enables highly performant NF models. TarFlow can be thought of as a Transformer-based variant of Masked Autoregressive Flows (MAFs): it consists of a stack of autoregressive Transformer blocks on image patches, alternating the autoregression direction between layers. TarFlow is straightforward to train end-to-end, and capable of directly modeling and generating pixels. We also propose three key techniques to improve sample quality: Gaussian noise augmentation during training, a post training denoising procedure, and an effective guidance method for both class-conditional and unconditional settings. Putting these together, TarFlow sets new state-of-the-art results on likelihood estimation for images, beating the previous best methods by a large margin, and generates samples with quality and diversity comparable to diffusion models, for the first time with a stand-alone NF model. We make our code available at \href{https://github.com/apple/ml-tarflow}{https://github.com/apple/ml-tarflow}.
URLs: https://github.com/apple/ml-tarflow, https://github.com/apple/ml-tarflow
Authors: Jiawen Kang, Junan Li, Jinchao Li, Xixin Wu, Helen Meng
Abstract: Automatic Speech Recognition (ASR) plays an important role in speech-based automatic detection of Alzheimer's disease (AD). However, recognition errors could propagate downstream, potentially impacting the detection decisions. Recent studies have revealed a non-linear relationship between word error rates (WER) and AD detection performance, where ASR transcriptions with notable errors could still yield AD detection accuracy equivalent to that based on manual transcriptions. This work presents a series of analyses to explore the effect of ASR transcription errors in BERT-based AD detection systems. Our investigation reveals that not all ASR errors contribute equally to detection performance. Certain words, such as stopwords, despite constituting a large proportion of errors, are shown to play a limited role in distinguishing AD. In contrast, the keywords related to diagnosis tasks exhibit significantly greater importance relative to other words. These findings provide insights into the interplay between ASR errors and the downstream detection model.
Authors: F. Bredell, H. A. Engelbrecht, J. C. Schoeman
Abstract: The card game Hanabi is considered a strong medium for the testing and development of multi-agent reinforcement learning (MARL) algorithms, due to its cooperative nature, hidden information, limited communication and remarkable complexity. Previous research efforts have explored the capabilities of MARL algorithms within Hanabi, focusing largely on advanced architecture design and algorithmic manipulations to achieve state-of-the-art performance for a various number of cooperators. However, this often leads to complex solution strategies with high computational cost and requiring large amounts of training data. For humans to solve the Hanabi game effectively, they require the use of conventions, which often allows for a means to implicitly convey ideas or knowledge based on a predefined, and mutually agreed upon, set of ``rules''. Multi-agent problems containing partial observability, especially when limited communication is present, can benefit greatly from the use of implicit knowledge sharing. In this paper, we propose a novel approach to augmenting the action space using conventions, which act as special cooperative actions that span over multiple time steps and multiple agents, requiring agents to actively opt in for it to reach fruition. These conventions are based on existing human conventions, and result in a significant improvement on the performance of existing techniques for self-play and cross-play across a various number of cooperators within Hanabi.
Authors: Congxi Zhang, Yongchun Xie
Abstract: When intelligent spacecraft or space robots perform tasks in a complex environment, the controllable variables are usually not directly available and have to be inferred from high-dimensional observable variables, such as outputs of neural networks or images. While the dynamics of these observations are highly complex, the mechanisms behind them may be simple, which makes it possible to regard them as latent dynamic systems. For control of latent dynamic systems, methods based on reinforcement learning suffer from sample inefficiency and generalization problems. In this work, we propose an asymptotic tracking controller for latent dynamic systems. The latent variables are related to the high-dimensional observations through an unknown nonlinear function. The dynamics are unknown but assumed to be affine nonlinear. To realize asymptotic tracking, an identifiable latent dynamic model is learned to recover the latents and estimate the dynamics. This training process does not depend on the goals or reference trajectories. Based on the learned model, we use a manually designed feedback linearization controller to ensure the asymptotic tracking property of the closed-loop system. After considering fully controllable systems, the results are extended to the case that uncontrollable environmental latents exist. As an application, simulation experiments on a latent spacecraft attitude dynamic model are conducted to verify the proposed methods, and the observation noise and control deviation are taken into consideration.
Authors: Lea Bogensperger, Matthias J. Ehrhardt, Thomas Pock, Mohammad Sadegh Salehi, Hok Shing Wong
Abstract: We consider a bilevel learning framework for learning linear operators. In this framework, the learnable parameters are optimized via a loss function that also depends on the minimizer of a convex optimization problem (denoted lower-level problem). We utilize an iterative algorithm called `piggyback' to compute the gradient of the loss and minimizer of the lower-level problem. Given that the lower-level problem is solved numerically, the loss function and thus its gradient can only be computed inexactly. To estimate the accuracy of the computed hypergradient, we derive an a-posteriori error bound, which provides guides for setting the tolerance for the lower-level problem, as well as the piggyback algorithm. To efficiently solve the upper-level optimization, we also propose an adaptive method for choosing a suitable step-size. To illustrate the proposed method, we consider a few learned regularizer problems, such as training an input-convex neural network.
Authors: Ilke Adalioglu, Serkan Kiranyaz, Mete Ahishali, Aysen Degerli, Tahir Hamid, Rahmat Ghaffar, Ridha Hamila, Moncef Gabbouj
Abstract: Echocardiography is the most widely used imaging to monitor cardiac functions, serving as the first line in early detection of myocardial ischemia and infarction. However, echocardiography often suffers from several artifacts including sensor noise, lack of contrast, severe saturation, and missing myocardial segments which severely limit its usage in clinical diagnosis. In recent years, several machine learning methods have been proposed to improve echocardiography views. Yet, these methods usually address only a specific problem (e.g. denoising) and thus cannot provide a robust and reliable restoration in general. On the other hand, cardiac MRI provides a clean view of the heart without suffering such severe issues. However, due to its significantly higher cost, it is often only afforded by a few major hospitals, hence hindering its use and accessibility. In this pilot study, we propose a novel approach to transform echocardiography into the cardiac MRI view. For this purpose, Echo2MRI dataset, consisting of echocardiography and real cardiac MRI image pairs, is composed and will be shared publicly. A dedicated Cycle-consistent Generative Adversarial Network (Cycle-GAN) is trained to learn the transformation from echocardiography frames to cardiac MRI views. An extensive set of qualitative evaluations shows that the proposed transformer can synthesize high-quality artifact-free synthetic cardiac MRI views from a given sequence of echocardiography frames. Medical evaluations performed by a group of cardiologists further demonstrate that synthetic MRI views are indistinguishable from their original counterparts and are preferred over their initial sequence of echocardiography frames for diagnosis in 78.9% of the cases.
Authors: Songlin Yang, Jan Kautz, Ali Hatamizadeh
Abstract: Linear Transformers have gained attention as efficient alternatives to standard Transformers, but their performance in retrieval and long-context tasks has been limited. To address these limitations, recent work has explored two distinct mechanisms: gating for adaptive memory control and the delta update rule for precise memory modifications. We observe that these mechanisms are complementary: gating enables rapid memory erasure while the delta rule facilitates targeted updates. Building on this insight, we introduce the gated delta rule and develop a parallel training algorithm optimized for modern hardware. Our proposed architecture, Gated DeltaNet, consistently surpasses existing models like Mamba2 and DeltaNet across multiple benchmarks, including language modeling, common-sense reasoning, in-context retrieval, length extrapolation, and long-context understanding. We further enhance performance by developing hybrid architectures that combine Gated DeltaNet layers with sliding window attention or Mamba2 layers, achieving both improved training efficiency and superior task performance.
Authors: Fei Wu, Pablo Marquez-Neila, Hedyeh Rafi-Tarii, Raphael Sznitman
Abstract: Multi-class semantic segmentation remains a cornerstone challenge in computer vision. Yet, dataset creation remains excessively demanding in time and effort, especially for specialized domains. Active Learning (AL) mitigates this challenge by selecting data points for annotation strategically. However, existing patch-based AL methods often overlook boundary pixels critical information, essential for accurate segmentation. We present OREAL, a novel patch-based AL method designed for multi-class semantic segmentation. OREAL enhances boundary detection by employing maximum aggregation of pixel-wise uncertainty scores. Additionally, we introduce one-vs-rest entropy, a novel uncertainty score function that computes class-wise uncertainties while achieving implicit class balancing during dataset creation. Comprehensive experiments across diverse datasets and model architectures validate our hypothesis.
Authors: Yixiong Fang, Ziran Yang, Zhaorun Chen, Zhuokai Zhao, Jiawei Zhou
Abstract: Large vision-language models (LVLMs) demonstrate remarkable capabilities in multimodal tasks but are prone to misinterpreting visual inputs, often resulting in hallucinations and unreliable outputs. To address these challenges, we propose Dropout Decoding, a novel inference-time approach that quantifies the uncertainty of visual tokens and selectively masks uncertain tokens to improve decoding. Our method measures the uncertainty of each visual token by projecting it onto the text space and decomposing it into aleatoric and epistemic components. Specifically, we focus on epistemic uncertainty, which captures perception-related errors more effectively. Inspired by dropout regularization, we introduce uncertainty-guided token dropout, which applies the dropout principle to input visual tokens instead of model parameters, and during inference rather than training. By aggregating predictions from an ensemble of masked decoding contexts, Dropout Decoding robustly mitigates errors arising from visual token misinterpretations. Evaluations on benchmarks including CHAIR, THRONE, and MMBench demonstrate that Dropout Decoding significantly reduces object hallucinations (OH) and enhances both reliability and quality of LVLM outputs across diverse visual contexts.
Authors: Guillaume Marrelec, Alain Giron
Abstract: We propose to quantify dependence between two systems $X$ and $Y$ in a dataset $D$ based on the Bayesian comparison of two models: one, $H_0$, of statistical independence and another one, $H_1$, of dependence. In this framework, dependence between $X$ and $Y$ in $D$, denoted $B(X,Y|D)$, is quantified as $P(H_1|D)$, the posterior probability for the model of dependence given $D$, or any strictly increasing function thereof. It is therefore a measure of the evidence for dependence between $X$ and $Y$ as modeled by $H_1$ and observed in $D$. We review several statistical models and reconsider standard results in the light of $B(X,Y|D)$ as a measure of dependence. Using simulations, we focus on two specific issues: the effect of noise and the behavior of $B(X,Y|D)$ when $H_1$ has a parameter coding for the intensity of dependence. We then derive some general properties of $B(X,Y|D)$, showing that it quantifies the information contained in $D$ in favor of $H_1$ versus $H_0$. While some of these properties are typical of what is expected from a valid measure of dependence, others are novel and naturally appear as desired features for specific measures of dependence, which we call inferential. We finally put these results in perspective; in particular, we discuss the consequences of using the Bayesian framework as well as the similarities and differences between $B(X,Y|D)$ and mutual information.
Authors: Aakash Madhav Rao, Debayan Gupta
Abstract: The development of generative models in the past decade has allowed for hyperrealistic data synthesis. While potentially beneficial, this synthetic data generation process has been relatively underexplored in cancer histopathology. One algorithm for synthesising a realistic image is diffusion; it iteratively converts an image to noise and learns the recovery process from this noise [Wang and Vastola, 2023]. While effective, it is highly computationally expensive for high-resolution images, rendering it infeasible for histopathology. The development of Variational Autoencoders (VAEs) has allowed us to learn the representation of complex high-resolution images in a latent space. A vital by-product of this is the ability to compress high-resolution images to space and recover them lossless. The marriage of diffusion and VAEs allows us to carry out diffusion in the latent space of an autoencoder, enabling us to leverage the realistic generative capabilities of diffusion while maintaining reasonable computational requirements. Rombach et al. [2021b] and Yellapragada et al. [2023] build foundational models for this task, paving the way to generate realistic histopathology images. In this paper, we discuss the pitfalls of current methods, namely [Yellapragada et al., 2023] and resolve critical errors while proposing improvements along the way. Our methods achieve an FID score of 21.11, beating its SOTA counterparts in [Yellapragada et al., 2023] by 1.2 FID, while presenting a train-time GPU memory usage reduction of 7%.
Authors: Hongkang Song, Zihui Zhang, Yanpeng Zhou, Jie Hu, Zishuo Wang, Hou Him Chan, Chon Lok Lei, Chen Xu, Yu Xin, Bo Yang
Abstract: Spinal cord tumors significantly contribute to neurological morbidity and mortality. Precise morphometric quantification, encompassing the size, location, and type of such tumors, holds promise for optimizing treatment planning strategies. Although recent methods have demonstrated excellent performance in medical image segmentation, they primarily focus on discerning shapes with relatively large morphology such as brain tumors, ignoring the challenging problem of identifying spinal cord tumors which tend to have tiny sizes, diverse locations, and shapes. To tackle this hard problem of multiclass spinal cord tumor segmentation, we propose a new method, called BATseg, to learn a tumor surface distance field by applying our new multiclass boundary-aware loss function. To verify the effectiveness of our approach, we also introduce the first and large-scale spinal cord tumor dataset. It comprises gadolinium-enhanced T1-weighted 3D MRI scans from 653 patients and contains the four most common spinal cord tumor types: astrocytomas, ependymomas, hemangioblastomas, and spinal meningiomas. Extensive experiments on our dataset and another public kidney tumor segmentation dataset show that our proposed method achieves superior performance for multiclass tumor segmentation.
Authors: Jan Rathjens, Shirin Reyhanian, David Kappel, Laurenz Wiskott
Abstract: Understanding the mechanisms underlying deep neural networks in computer vision remains a fundamental challenge. While many prior approaches have focused on visualizing intermediate representations within deep neural networks, particularly convolutional neural networks, these techniques have yet to be thoroughly explored in transformer-based vision models. In this study, we apply the approach of training inverse models to reconstruct input images from intermediate layers within a Detection Transformer, showing that this approach is efficient and feasible for transformer-based vision models. Through qualitative and quantitative evaluations of reconstructed images across model stages, we demonstrate critical properties of Detection Transformers, including contextual shape preservation, inter-layer correlation, and robustness to color perturbations, illustrating how these characteristics emerge within the model's architecture. Our findings contribute to a deeper understanding of transformer-based vision models. The code for reproducing our experiments will be made available at github.com/wiskott-lab/inverse-detection-transformer.
Authors: Melo Castillo Angie Nataly, Martin Serrano Sergio, Salinas Carlota, Sotelo Miguel Angel
Abstract: Pedestrian detection is a critical task in autonomous driving, aimed at enhancing safety and reducing risks on the road. Over recent years, significant advancements have been made in improving detection performance. However, these achievements still fall short of human perception, particularly in cases involving occluded pedestrians, especially entirely invisible ones. In this work, we present the Occlusion-Rich Road Scenes with Pedestrians (OccluRoads) dataset, which features a diverse collection of road scenes with partially and fully occluded pedestrians in both real and virtual environments. All scenes are meticulously labeled and enriched with contextual information that encapsulates human perception in such scenarios. Using this dataset, we developed a pipeline to predict the presence of occluded pedestrians, leveraging Knowledge Graph (KG), Knowledge Graph Embedding (KGE), and a Bayesian inference process. Our approach achieves a F1 score of 0.91, representing an improvement of up to 42% compared to traditional machine learning models.
Authors: Chujie Zheng, Zhenru Zhang, Beichen Zhang, Runji Lin, Keming Lu, Bowen Yu, Dayiheng Liu, Jingren Zhou, Junyang Lin
Abstract: As language models regularly make mistakes when solving math problems, automated identification of errors in the reasoning process becomes increasingly significant for their scalable oversight. In this paper, we introduce ProcessBench for measuring the ability to identify erroneous steps in mathematical reasoning. It consists of 3,400 test cases, primarily focused on competition- and Olympiad-level math problems. Each test case contains a step-by-step solution with error location annotated by human experts. Models are required to identify the earliest step that contains an error, or conclude that all steps are correct. We conduct extensive evaluation on ProcessBench, involving two types of models: process reward models (PRMs) and critic models, where for the latter we prompt general language models to critique each solution step by step. We draw two main observations: (1) Existing PRMs typically fail to generalize to more challenging math problems beyond GSM8K and MATH. They underperform both critic models (i.e., prompted general language models) and our own trained PRM that is straightforwardly fine-tuned on the PRM800K dataset. (2) The best open-source model, QwQ-32B-Preview, has demonstrated the critique capability competitive with the proprietary model GPT-4o, despite that it still lags behind the reasoning-specialized o1-mini. We hope ProcessBench can foster future research in reasoning process assessment, paving the way toward scalable oversight of language models.
Authors: Tianxin Xie, Yan Rong, Pengfei Zhang, Li Liu
Abstract: Text-to-speech (TTS), also known as speech synthesis, is a prominent research area that aims to generate natural-sounding human speech from text. Recently, with the increasing industrial demand, TTS technologies have evolved beyond synthesizing human-like speech to enabling controllable speech generation. This includes fine-grained control over various attributes of synthesized speech such as emotion, prosody, timbre, and duration. Besides, advancements in deep learning, such as diffusion and large language models, have significantly enhanced controllable TTS over the past several years. In this paper, we conduct a comprehensive survey of controllable TTS, covering approaches ranging from basic control techniques to methods utilizing natural language prompts, aiming to provide a clear understanding of the current state of research. We examine the general controllable TTS pipeline, challenges, model architectures, and control strategies, offering a comprehensive and clear taxonomy of existing methods. Additionally, we provide a detailed summary of datasets and evaluation metrics and shed some light on the applications and future directions of controllable TTS. To the best of our knowledge, this survey paper provides the first comprehensive review of emerging controllable TTS methods, which can serve as a beneficial resource for both academic researchers and industry practitioners.
Authors: Yi-Lin Jiang, Chia-Ho Hsiung, Yen-Tung Yeh, Lu-Rong Chen, Bo-Yu Chen
Abstract: The rise of "bedroom producers" has democratized music creation, while challenging producers to objectively evaluate their work. To address this, we present AI TrackMate, an LLM-based music chatbot designed to provide constructive feedback on music productions. By combining LLMs' inherent musical knowledge with direct audio track analysis, AI TrackMate offers production-specific insights, distinguishing it from text-only approaches. Our framework integrates a Music Analysis Module, an LLM-Readable Music Report, and Music Production-Oriented Feedback Instruction, creating a plug-and-play, training-free system compatible with various LLMs and adaptable to future advancements. We demonstrate AI TrackMate's capabilities through an interactive web interface and present findings from a pilot study with a music producer. By bridging AI capabilities with the needs of independent producers, AI TrackMate offers on-demand analytical feedback, potentially supporting the creative process and skill development in music production. This system addresses the growing demand for objective self-assessment tools in the evolving landscape of independent music production.
Authors: Benny Sun, Yuansi Chen
Abstract: High dimensional sampling is an important computational tool in statistics and other computational disciplines, with applications ranging from Bayesian statistical uncertainty quantification, metabolic modeling in systems biology to volume computation. We present $\textsf{PolytopeWalk}$, a new scalable Python library designed for uniform sampling over polytopes. The library provides an end-to-end solution, which includes preprocessing algorithms such as facial reduction and initialization methods. Six state-of-the-art MCMC algorithms on polytopes are implemented, including the Dikin, Vaidya, and John Walk. Additionally, we introduce novel sparse constrained formulations of these algorithms, enabling efficient sampling from sparse polytopes of the form $K_2 = \{x \in \mathbb{R}^d \ | \ Ax = b, x \succeq_k 0\}$. This implementation maintains sparsity in $A$, ensuring scalability to high dimensional settings $(d > 10^5)$. We demonstrate the improved sampling efficiency and per-iteration cost on both Netlib datasets and structured polytopes. $\textsf{PolytopeWalk}$ is available at github.com/ethz-randomwalk/polytopewalk with documentation at polytopewalk.readthedocs.io .
Authors: Johanna Vielhaben, Dilyara Bareeva, Jim Berend, Wojciech Samek, Nils Strodthoff
Abstract: Vision transformers (ViTs) can be trained using various learning paradigms, from fully supervised to self-supervised. Diverse training protocols often result in significantly different feature spaces, which are usually compared through alignment analysis. However, current alignment measures quantify this relationship in terms of a single scalar value, obscuring the distinctions between common and unique features in pairs of representations that share the same scalar alignment. We address this limitation by combining alignment analysis with concept discovery, which enables a breakdown of alignment into single concepts encoded in feature space. This fine-grained comparison reveals both universal and unique concepts across different representations, as well as the internal structure of concepts within each of them. Our methodological contributions address two key prerequisites for concept-based alignment: 1) For a description of the representation in terms of concepts that faithfully capture the geometry of the feature space, we define concepts as the most general structure they can possibly form - arbitrary manifolds, allowing hidden features to be described by their proximity to these manifolds. 2) To measure distances between concept proximity scores of two representations, we use a generalized Rand index and partition it for alignment between pairs of concepts. We confirm the superiority of our novel concept definition for alignment analysis over existing linear baselines in a sanity check. The concept-based alignment analysis of representations from four different ViTs reveals that increased supervision correlates with a reduction in the semantic structure of learned representations.
Authors: Alessandro Serra, Francesco Ortu, Emanuele Panizon, Lucrezia Valeriani, Lorenzo Basile, Alessio Ansuini, Diego Doimo, Alberto Cazzaniga
Abstract: Recent advances in multimodal training have significantly improved the integration of image understanding and generation within a unified model. This study investigates how vision-language models (VLMs) handle image-understanding tasks, specifically focusing on how visual information is processed and transferred to the textual domain. We compare VLMs that generate both images and text with those that output only text, highlighting key differences in information flow. We find that in models with multimodal outputs, image and text embeddings are more separated within the residual stream. Additionally, models vary in how information is exchanged from visual to textual tokens. VLMs that only output text exhibit a distributed communication pattern, where information is exchanged through multiple image tokens. In contrast, models trained for image and text generation rely on a single token that acts as a narrow gate for the visual information. We demonstrate that ablating this single token significantly deteriorates performance on image understanding tasks. Furthermore, modifying this token enables effective steering of the image semantics, showing that targeted, local interventions can reliably control the model's global behavior.
Authors: Aryan Duhan, Aryan Singhal, Shourya Sharma, Neeraj, Arti MK
Abstract: This paper introduces a new semantic search algorithm that uses Word2Vec and Annoy Index to improve the efficiency of information retrieval from large datasets. The proposed approach addresses the limitations of traditional search methods by offering enhanced speed, accuracy, and scalability. Testing on datasets up to 100GB demonstrates the method's effectiveness in processing vast amounts of data while maintaining high precision and performance.
Authors: Yi-Kai Zhang, Xu-Xiang Zhong, Shiyin Lu, Qing-Guo Chen, De-Chuan Zhan, Han-Jia Ye
Abstract: The rapid advancements in Large Language Models (LLMs) have significantly expanded their applications, ranging from multilingual support to domain-specific tasks and multimodal integration. In this paper, we present OmniEvalKit, a novel benchmarking toolbox designed to evaluate LLMs and their omni-extensions across multilingual, multidomain, and multimodal capabilities. Unlike existing benchmarks that often focus on a single aspect, OmniEvalKit provides a modular, lightweight, and automated evaluation system. It is structured with a modular architecture comprising a Static Builder and Dynamic Data Flow, promoting the seamless integration of new models and datasets. OmniEvalKit supports over 100 LLMs and 50 evaluation datasets, covering comprehensive evaluations across thousands of model-dataset combinations. OmniEvalKit is dedicated to creating an ultra-lightweight and fast-deployable evaluation framework, making downstream applications more convenient and versatile for the AI community.
Authors: Sahil Sethi, Sai Reddy, Mansi Sakarvadia, Jordan Serotte, Darlington Nwaudo, Nicholas Maassen, Lewis Shi
Abstract: Bankart lesions, or anterior-inferior glenoid labral tears, are diagnostically challenging on standard MRIs due to their subtle imaging features-often necessitating invasive MRI arthrograms (MRAs). This study develops deep learning (DL) models to detect Bankart lesions on both standard MRIs and MRAs, aiming to improve diagnostic accuracy and reduce reliance on MRAs. We curated a dataset of 586 shoulder MRIs (335 standard, 251 MRAs) from 558 patients who underwent arthroscopy. Ground truth labels were derived from intraoperative findings, the gold standard for Bankart lesion diagnosis. Separate DL models for MRAs and standard MRIs were trained using the Swin Transformer architecture, pre-trained on a public knee MRI dataset. Predictions from sagittal, axial, and coronal views were ensembled to optimize performance. The models were evaluated on a 20% hold-out test set (117 MRIs: 46 MRAs, 71 standard MRIs). Bankart lesions were identified in 31.9% of MRAs and 8.6% of standard MRIs. The models achieved AUCs of 0.87 (86% accuracy, 83% sensitivity, 86% specificity) and 0.90 (85% accuracy, 82% sensitivity, 86% specificity) on standard MRIs and MRAs, respectively. These results match or surpass radiologist performance on our dataset and reported literature metrics. Notably, our model's performance on non-invasive standard MRIs matched or surpassed the radiologists interpreting MRAs. This study demonstrates the feasibility of using DL to address the diagnostic challenges posed by subtle pathologies like Bankart lesions. Our models demonstrate potential to improve diagnostic confidence, reduce reliance on invasive imaging, and enhance accessibility to care.
Authors: Simone Azeglio, Olivier Marre, Peter Neri, Ulisse Ferrari
Abstract: We propose a novel approach to image classification inspired by complex nonlinear biological visual processing, whereby classical convolutional neural networks (CNNs) are equipped with learnable higher-order convolutions. Our model incorporates a Volterra-like expansion of the convolution operator, capturing multiplicative interactions akin to those observed in early and advanced stages of biological visual processing. We evaluated this approach on synthetic datasets by measuring sensitivity to testing higher-order correlations and performance in standard benchmarks (MNIST, FashionMNIST, CIFAR10, CIFAR100 and Imagenette). Our architecture outperforms traditional CNN baselines, and achieves optimal performance with expansions up to 3rd/4th order, aligning remarkably well with the distribution of pixel intensities in natural images. Through systematic perturbation analysis, we validate this alignment by isolating the contributions of specific image statistics to model performance, demonstrating how different orders of convolution process distinct aspects of visual information. Furthermore, Representational Similarity Analysis reveals distinct geometries across network layers, indicating qualitatively different modes of visual information processing. Our work bridges neuroscience and deep learning, offering a path towards more effective, biologically inspired computer vision models. It provides insights into visual information processing and lays the groundwork for neural networks that better capture complex visual patterns, particularly in resource-constrained scenarios.
Authors: Meera Hahn, Wenjun Zeng, Nithish Kannen, Rich Galt, Kartikeya Badola, Been Kim, Zi Wang
Abstract: User prompts for generative AI models are often underspecified, leading to sub-optimal responses. This problem is particularly evident in text-to-image (T2I) generation, where users commonly struggle to articulate their precise intent. This disconnect between the user's vision and the model's interpretation often forces users to painstakingly and repeatedly refine their prompts. To address this, we propose a design for proactive T2I agents equipped with an interface to (1) actively ask clarification questions when uncertain, and (2) present their understanding of user intent as an understandable belief graph that a user can edit. We build simple prototypes for such agents and verify their effectiveness through both human studies and automated evaluation. We observed that at least 90% of human subjects found these agents and their belief graphs helpful for their T2I workflow. Moreover, we develop a scalable automated evaluation approach using two agents, one with a ground truth image and the other tries to ask as few questions as possible to align with the ground truth. On DesignBench, a benchmark we created for artists and designers, the COCO dataset (Lin et al., 2014), and ImageInWords (Garg et al., 2024), we observed that these T2I agents were able to ask informative questions and elicit crucial information to achieve successful alignment with at least 2 times higher VQAScore (Lin et al., 2024) than the standard single-turn T2I generation. Demo: https://github.com/google-deepmind/proactive_t2i_agents.
URLs: https://github.com/google-deepmind/proactive_t2i_agents.
Authors: XuDong Wang, Xingyi Zhou, Alireza Fathi, Trevor Darrell, Cordelia Schmid
Abstract: We present Visual Lexicon, a novel visual language that encodes rich image information into the text space of vocabulary tokens while retaining intricate visual details that are often challenging to convey in natural language. Unlike traditional methods that prioritize either high-level semantics (e.g., CLIP) or pixel-level reconstruction (e.g., VAE), ViLex simultaneously captures rich semantic content and fine visual details, enabling high-quality image generation and comprehensive visual scene understanding. Through a self-supervised learning pipeline, ViLex generates tokens optimized for reconstructing input images using a frozen text-to-image (T2I) diffusion model, preserving the detailed information necessary for high-fidelity semantic-level reconstruction. As an image embedding in the language space, ViLex tokens leverage the compositionality of natural languages, allowing them to be used independently as "text tokens" or combined with natural language tokens to prompt pretrained T2I models with both visual and textual inputs, mirroring how we interact with vision-language models (VLMs). Experiments demonstrate that ViLex achieves higher fidelity in image reconstruction compared to text embeddings--even with a single ViLex token. Moreover, ViLex successfully performs various DreamBooth tasks in a zero-shot, unsupervised manner without fine-tuning T2I models. Additionally, ViLex serves as a powerful vision encoder, consistently improving vision-language model performance across 15 benchmarks relative to a strong SigLIP baseline.
Authors: Xin Fei, Wenzhao Zheng, Yueqi Duan, Wei Zhan, Masayoshi Tomizuka, Kurt Keutzer, Jiwen Lu
Abstract: Realtime 4D reconstruction for dynamic scenes remains a crucial challenge for autonomous driving perception. Most existing methods rely on depth estimation through self-supervision or multi-modality sensor fusion. In this paper, we propose Driv3R, a DUSt3R-based framework that directly regresses per-frame point maps from multi-view image sequences. To achieve streaming dense reconstruction, we maintain a memory pool to reason both spatial relationships across sensors and dynamic temporal contexts to enhance multi-view 3D consistency and temporal integration. Furthermore, we employ a 4D flow predictor to identify moving objects within the scene to direct our network focus more on reconstructing these dynamic regions. Finally, we align all per-frame pointmaps consistently to the world coordinate system in an optimization-free manner. We conduct extensive experiments on the large-scale nuScenes dataset to evaluate the effectiveness of our method. Driv3R outperforms previous frameworks in 4D dynamic scene reconstruction, achieving 15x faster inference speed compared to methods requiring global alignment. Code: https://github.com/Barrybarry-Smith/Driv3R.
Authors: Nicolas Dufour, David Picard, Vicky Kalogeiton, Loic Landrieu
Abstract: Global visual geolocation predicts where an image was captured on Earth. Since images vary in how precisely they can be localized, this task inherently involves a significant degree of ambiguity. However, existing approaches are deterministic and overlook this aspect. In this paper, we aim to close the gap between traditional geolocalization and modern generative methods. We propose the first generative geolocation approach based on diffusion and Riemannian flow matching, where the denoising process operates directly on the Earth's surface. Our model achieves state-of-the-art performance on three visual geolocation benchmarks: OpenStreetView-5M, YFCC-100M, and iNat21. In addition, we introduce the task of probabilistic visual geolocation, where the model predicts a probability distribution over all possible locations instead of a single point. We introduce new metrics and baselines for this task, demonstrating the advantages of our diffusion-based approach. Codes and models will be made available.
Authors: Mara Levy, Siddhant Haldar, Lerrel Pinto, Abhinav Shirivastava
Abstract: Developing generalizable robot policies that can robustly handle varied environmental conditions and object instances remains a fundamental challenge in robot learning. While considerable efforts have focused on collecting large robot datasets and developing policy architectures to learn from such data, naively learning from visual inputs often results in brittle policies that fail to transfer beyond the training data. This work presents Prescriptive Point Priors for Policies or P3-PO, a novel framework that constructs a unique state representation of the environment leveraging recent advances in computer vision and robot learning to achieve improved out-of-distribution generalization for robot manipulation. This representation is obtained through two steps. First, a human annotator prescribes a set of semantically meaningful points on a single demonstration frame. These points are then propagated through the dataset using off-the-shelf vision models. The derived points serve as an input to state-of-the-art policy architectures for policy learning. Our experiments across four real-world tasks demonstrate an overall 43% absolute improvement over prior methods when evaluated in identical settings as training. Further, P3-PO exhibits 58% and 80% gains across tasks for new object instances and more cluttered environments respectively. Videos illustrating the robot's performance are best viewed at point-priors.github.io.
Authors: Xinshun Liu, Yizhi Fang, Yichao Jiang
Abstract: This work proposes a new perspective on the structure of Neural Networks (NNs). Traditional Neural Networks are typically tree-like structures for convenience, which can be predefined or learned by NAS methods. However, such a structure can not facilitate communications between nodes at the same level or signal transmissions to previous levels. These defects prevent effective collaboration, restricting the capabilities of neural networks. It is well-acknowledged that the biological neural system contains billions of neural units. Their connections are far more complicated than the current NN structure. To enhance the representational ability of neural networks, existing works try to increase the depth of the neural network and introduce more parameters. However, they all have limitations with constrained parameters. In this work, we introduce a synchronous graph-based structure to establish a novel way of organizing the neural units: the Neural Modules. This framework allows any nodes to communicate with each other and encourages neural units to work collectively, demonstrating a departure from the conventional constrained paradigm. Such a structure also provides more candidates for the NAS methods. Furthermore, we also propose an elegant regularization method to organize neural units into multiple independent, balanced neural modules systematically. This would be convenient for handling these neural modules in parallel. Compared to traditional NNs, our method unlocks the potential of NNs from tree-like structures to general graphs and makes NNs be optimized in an almost complete set. Our approach proves adaptable to diverse tasks, offering compatibility across various scenarios. Quantitative experimental results substantiate the potential of our structure, indicating the improvement of NNs.
Authors: Zihao Zhou, Xingyi Yang, Ryan Rossi, Handong Zhao, Rose Yu
Abstract: Learning the dynamics of spatiotemporal events is a fundamental problem. Neural point processes enhance the expressivity of point process models with deep neural networks. However, most existing methods only consider temporal dynamics without spatial modeling. We propose Deep Spatiotemporal Point Process (\ours{}), a deep dynamics model that integrates spatiotemporal point processes. Our method is flexible, efficient, and can accurately forecast irregularly sampled events over space and time. The key construction of our approach is the nonparametric space-time intensity function, governed by a latent process. The intensity function enjoys closed form integration for the density. The latent process captures the uncertainty of the event sequence. We use amortized variational inference to infer the latent process with deep networks. Using synthetic datasets, we validate our model can accurately learn the true intensity function. On real-world benchmark datasets, our model demonstrates superior performance over state-of-the-art baselines. Our code and data can be found at the https://github.com/Rose-STL-Lab/DeepSTPP.
Authors: Ryan Lopez, Paul J. Atzberger
Abstract: We develop data-driven methods incorporating geometric and topological information to learn parsimonious representations of nonlinear dynamics from observations. The approaches learn nonlinear state-space models of the dynamics for general manifold latent spaces using training strategies related to Variational Autoencoders (VAEs). Our methods are referred to as Geometric Dynamic (GD) Variational Autoencoders (GD-VAEs). We learn encoders and decoders for the system states and evolution based on deep neural network architectures that include general Multilayer Perceptrons (MLPs), Convolutional Neural Networks (CNNs), and other architectures. Motivated by problems arising in parameterized PDEs and physics, we investigate the performance of our methods on tasks for learning reduced dimensional representations of the nonlinear Burgers Equations, Constrained Mechanical Systems, and spatial fields of Reaction-Diffusion Systems. GD-VAEs provide methods that can be used to obtain representations in manifold latent spaces for diverse learning tasks involving dynamics.
Authors: Edwin Zhang, Yujie Lu, Shinda Huang, William Wang, Amy Zhang
Abstract: Training generalist agents is difficult across several axes, requiring us to deal with high-dimensional inputs (space), long horizons (time), and generalization to novel tasks. Recent advances with architectures have allowed for improved scaling along one or two of these axes, but are still computationally prohibitive to use. In this paper, we propose to address all three axes by leveraging \textbf{L}anguage to \textbf{C}ontrol \textbf{D}iffusion models as a hierarchical planner conditioned on language (LCD). We effectively and efficiently scale diffusion models for planning in extended temporal, state, and task dimensions to tackle long horizon control problems conditioned on natural language instructions, as a step towards generalist agents. Comparing LCD with other state-of-the-art models on the CALVIN language robotics benchmark finds that LCD outperforms other SOTA methods in multi-task success rates, whilst improving inference speed over other comparable diffusion models by 3.3x~15x. We show that LCD can successfully leverage the unique strength of diffusion models to produce coherent long range plans while addressing their weakness in generating low-level details and control.
Authors: Alireza Abdollahpoorrostam, Mahed Abroshan, Seyed-Mohsen Moosavi-Dezfooli
Abstract: Deep neural networks have been known to be vulnerable to adversarial examples, which are inputs that are modified slightly to fool the network into making incorrect predictions. This has led to a significant amount of research on evaluating the robustness of these networks against such perturbations. One particularly important robustness metric is the robustness to minimal $\ell_2$ adversarial perturbations. However, existing methods for evaluating this robustness metric are either computationally expensive or not very accurate. In this paper, we introduce a new family of adversarial attacks that strike a balance between effectiveness and computational efficiency. Our proposed attacks are generalizations of the well-known DeepFool (DF) attack, while they remain simple to understand and implement. We demonstrate that our attacks outperform existing methods in terms of both effectiveness and computational efficiency. Our proposed attacks are also suitable for evaluating the robustness of large models and can be used to perform adversarial training (AT) to achieve state-of-the-art robustness to minimal $\ell_2$ adversarial perturbations.
Authors: Taiqiang Wu, Zhe Zhao, Jiahao Wang, Xingyu Bai, Lei Wang, Ngai Wong, Yujiu Yang
Abstract: Distilling high-accuracy Graph Neural Networks (GNNs) to low-latency multilayer perceptions (MLPs) on graph tasks has become a hot research topic. However, conventional MLP learning relies almost exclusively on graph nodes and fails to effectively capture the graph structural information. Previous methods address this issue by processing graph edges into extra inputs for MLPs, but such graph structures may be unavailable for various scenarios. To this end, we propose Prototype-Guided Knowledge Distillation (PGKD), which does not require graph edges (edge-free setting) yet learns structure-aware MLPs. Our insight is to distill graph structural information from GNNs. Specifically, we first employ the class prototypes to analyze the impact of graph structures on GNN teachers, and then design two losses to distill such information from GNNs to MLPs. Experimental results on popular graph benchmarks demonstrate the effectiveness and robustness of the proposed PGKD.
Authors: Alain Andres, Lukas Sch\"afer, Stefano V. Albrecht, Javier Del Ser
Abstract: One of the key challenges of Reinforcement Learning (RL) is the ability of agents to generalise their learned policy to unseen settings. Moreover, training RL agents requires large numbers of interactions with the environment. Motivated by the recent success of Offline RL and Imitation Learning (IL), we conduct a study to investigate whether agents can leverage offline data in the form of trajectories to improve the sample-efficiency in procedurally generated environments. We consider two settings of using IL from offline data for RL: (1) pre-training a policy before online RL training and (2) concurrently training a policy with online RL and IL from offline data. We analyse the impact of the quality (optimality of trajectories) and diversity (number of trajectories and covered level) of available offline trajectories on the effectiveness of both approaches. Across four well-known sparse reward tasks in the MiniGrid environment, we find that using IL for pre-training and concurrently during online RL training both consistently improve the sample-efficiency while converging to optimal policies. Furthermore, we show that pre-training a policy from as few as two trajectories can make the difference between learning an optimal policy at the end of online training and not learning at all. Our findings motivate the widespread adoption of IL for pre-training and concurrent IL in procedurally generated environments whenever offline trajectories are available or can be generated.
Authors: Sanjay Vishwakarma, Srinjoy Ganguly
Abstract: The Naive Bayesian classifier is a popular classification method employing the Bayesian paradigm. The concept of having conditional dependence among input variables sounds good in theory but can lead to a majority vote style behaviour. Achieving conditional independence is often difficult, and they introduce decision biases in the estimates. In Naive Bayes, certain features are called independent features as they have no conditional correlation or dependency when predicting a classification. In this paper, we focus on the optimal partition of features by proposing a novel technique called the Comonotone-Independence Classifier (CIBer) which is able to overcome the challenges posed by the Naive Bayes method. For different datasets, we clearly demonstrate the efficacy of our technique, where we achieve lower error rates and higher or equivalent accuracy compared to models such as Random Forests and XGBoost.
Authors: Smitha Milli, Emma Pierson, Nikhil Garg
Abstract: Many recommender systems optimize a linear weighting of different user behaviors, such as clicks, likes, and shares. We analyze the optimal choice of weights from the perspectives of both users and content producers who strategically respond to the weights. We consider three aspects of each potential behavior: value-faithfulness (how well a behavior indicates whether the user values the content), strategy-robustness (how hard it is for producers to manipulate the behavior), and noisiness (how much estimation error there is in predicting the behavior). Our theoretical results show that for users, up-weighting more value-faithful and less noisy behaviors leads to higher utility, while for producers, up-weighting more value-faithful and strategy-robust behaviors leads to higher welfare (and the impact of noise is non-monotonic). Finally, we apply our framework to design weights on Facebook, using a large-scale dataset of approximately 70 million URLs shared on Facebook. Strikingly, we find that our user-optimal weight vector (a) delivers higher user value than a vector not accounting for variance; (b) also enhances broader societal outcomes, reducing misinformation and raising the quality of the URL domains, outcomes that were not directly targeted in our theoretical framework.
Authors: Michael W. Spratling
Abstract: Reliable and robust evaluation methods are a necessary first step towards developing machine learning models that are themselves robust and reliable. Unfortunately, current evaluation protocols typically used to assess classifiers fail to comprehensively evaluate performance as they tend to rely on limited types of test data, and ignore others. For example, using the standard test data fails to evaluate the predictions made by the classifier to samples from classes it was not trained on. On the other hand, testing with data containing samples from unknown classes fails to evaluate how well the classifier can predict the labels for known classes. This article advocates bench-marking performance using a wide range of different types of data and using a single metric that can be applied to all such data types to produce a consistent evaluation of performance. Using such a benchmark it is found that current deep neural networks, including those trained with methods that are believed to produce state-of-the-art robustness, are extremely vulnerable to making mistakes on certain types of data. This means that such models will be unreliable in real-world scenarios where they may encounter data from many different domains, and that they are insecure as they can easily be fooled into making the wrong decisions. It is hoped that these results will motivate the wider adoption of more comprehensive testing methods that will, in turn, lead to the development of more robust machine learning methods in the future. Code is available at: https://codeberg.org/mwspratling/RobustnessEvaluation
Authors: J\"org K. H. Franke, Michael Hefenbrock, Gregor Koehler, Frank Hutter
Abstract: Regularization is a critical component in deep learning. The most commonly used approach, weight decay, applies a constant penalty coefficient uniformly across all parameters. This may be overly restrictive for some parameters, while insufficient for others. To address this, we present Constrained Parameter Regularization (CPR) as an alternative to traditional weight decay. Unlike the uniform application of a single penalty, CPR enforces an upper bound on a statistical measure, such as the L2-norm, of individual parameter matrices. Consequently, learning becomes a constraint optimization problem, which we tackle using an adaptation of the augmented Lagrangian method. CPR introduces only a minor runtime overhead and only requires setting an upper bound. We propose simple yet efficient mechanisms for initializing this bound, making CPR rely on no hyperparameter or one, akin to weight decay. Our empirical studies on computer vision and language modeling tasks demonstrate CPR's effectiveness. The results show that CPR can outperform traditional weight decay and increase performance in pre-training and fine-tuning.
Authors: Shivam Gupta, Aditya Parulekar, Eric Price, Zhiyang Xun
Abstract: Diffusion models have become the most popular approach to deep generative modeling of images, largely due to their empirical performance and reliability. From a theoretical standpoint, a number of recent works~\cite{chen2022,chen2022improved,benton2023linear} have studied the iteration complexity of sampling, assuming access to an accurate diffusion model. In this work, we focus on understanding the \emph{sample complexity} of training such a model; how many samples are needed to learn an accurate diffusion model using a sufficiently expressive neural network? Prior work~\cite{BMR20} showed bounds polynomial in the dimension, desired Total Variation error, and Wasserstein error. We show an \emph{exponential improvement} in the dependence on Wasserstein error and depth, along with improved dependencies on other relevant parameters.
Authors: L. Jeff Hong, Yanxi Hou, Qingkai Zhang, Xiaowei Zhang
Abstract: Stochastic simulation models effectively capture complex system dynamics but are often too slow for real-time decision-making. Traditional metamodeling techniques learn relationships between simulator inputs and a single output summary statistic, such as the mean or median. These techniques enable real-time predictions without additional simulations. However, they require prior selection of one appropriate output summary statistic, limiting their flexibility in practical applications. We propose a new concept: generative metamodeling. It aims to construct a "fast simulator of the simulator," generating random outputs significantly faster than the original simulator while preserving approximately equal conditional distributions. Generative metamodels enable rapid generation of numerous random outputs upon input specification, facilitating immediate computation of any summary statistic for real-time decision-making. We introduce a new algorithm, quantile-regression-based generative metamodeling (QRGMM), and establish its distributional convergence and convergence rate. Extensive numerical experiments demonstrate QRGMM's efficacy compared to other state-of-the-art generative algorithms in practical real-time decision-making scenarios.
Authors: Yun Yue, Zhiling Ye, Jiadi Jiang, Yongchao Liu, Ke Zhang
Abstract: Adaptive optimizers, such as Adam, have achieved remarkable success in deep learning. A key component of these optimizers is the so-called preconditioning matrix, providing enhanced gradient information and regulating the step size of each gradient direction. In this paper, we propose a novel approach to designing the preconditioning matrix by utilizing the gradient difference between two successive steps as the diagonal elements. These diagonal elements are closely related to the Hessian and can be perceived as an approximation of the inner product between the Hessian row vectors and difference of the adjacent parameter vectors. Additionally, we introduce an auto-switching function that enables the preconditioning matrix to switch dynamically between Stochastic Gradient Descent (SGD) and the adaptive optimizer. Based on these two techniques, we develop a new optimizer named AGD that enhances the generalization performance. We evaluate AGD on public datasets of Natural Language Processing (NLP), Computer Vision (CV), and Recommendation Systems (RecSys). Our experimental results demonstrate that AGD outperforms the state-of-the-art (SOTA) optimizers, achieving highly competitive or significantly better predictive performance. Furthermore, we analyze how AGD is able to switch automatically between SGD and the adaptive optimizer and its actual effects on various scenarios. The code is available at https://github.com/intelligent-machine-learning/atorch/tree/main/atorch/optimizers.
URLs: https://github.com/intelligent-machine-learning/atorch/tree/main/atorch/optimizers.
Authors: Michael Psenka, Alejandro Escontrela, Pieter Abbeel, Yi Ma
Abstract: Diffusion models have become a popular choice for representing actor policies in behavior cloning and offline reinforcement learning. This is due to their natural ability to optimize an expressive class of distributions over a continuous space. However, previous works fail to exploit the score-based structure of diffusion models, and instead utilize a simple behavior cloning term to train the actor, limiting their ability in the actor-critic setting. In this paper, we present a theoretical framework linking the structure of diffusion model policies to a learned Q-function, by linking the structure between the score of the policy to the action gradient of the Q-function. We focus on off-policy reinforcement learning and propose a new policy update method from this theory, which we denote Q-score matching. Notably, this algorithm only needs to differentiate through the denoising model rather than the entire diffusion model evaluation, and converged policies through Q-score matching are implicitly multi-modal and explorative in continuous domains. We conduct experiments in simulated environments to demonstrate the viability of our proposed method and compare to popular baselines. Source code is available from the project website: https://michaelpsenka.io/qsm.
Authors: Guhao Feng, Han Zhong
Abstract: Reinforcement Learning (RL) encompasses diverse paradigms, including model-based RL, policy-based RL, and value-based RL, each tailored to approximate the model, optimal policy, and optimal value function, respectively. This work investigates the potential hierarchy of representation complexity -- the complexity of functions to be represented -- among these RL paradigms. We first demonstrate that, for a broad class of Markov decision processes (MDPs), the model can be represented by constant-depth circuits with polynomial size or Multi-Layer Perceptrons (MLPs) with constant layers and polynomial hidden dimension. However, the representation of the optimal policy and optimal value proves to be $\mathsf{NP}$-complete and unattainable by constant-layer MLPs with polynomial size. This demonstrates a significant representation complexity gap between model-based RL and model-free RL, which includes policy-based RL and value-based RL. To further explore the representation complexity hierarchy between policy-based RL and value-based RL, we introduce another general class of MDPs where both the model and optimal policy can be represented by constant-depth circuits with polynomial size or constant-layer MLPs with polynomial size. In contrast, representing the optimal value is $\mathsf{P}$-complete and intractable via a constant-layer MLP with polynomial hidden dimension. This accentuates the intricate representation complexity associated with value-based RL compared to policy-based RL. In summary, we unveil a potential representation complexity hierarchy within RL -- representing the model emerges as the easiest task, followed by the optimal policy, while representing the optimal value function presents the most intricate challenge.
Authors: Haotian Gu, Xin Guo, Timothy L. Jacobs, Philip Kaminsky, Xinyu Li
Abstract: Freight transportation marketplace rates are typically challenging to forecast accurately. In this work, we have developed a novel statistical technique based on signature transforms and have built a predictive and adaptive model to forecast these marketplace rates. Our technique is based on two key elements of the signature transform: one being its universal nonlinearity property, which linearizes the feature space and hence translates the forecasting problem into linear regression, and the other being the signature kernel, which allows for comparing computationally efficiently similarities between time series data. Combined, it allows for efficient feature generation and precise identification of seasonality and regime switching in the forecasting process. An algorithm based on our technique has been deployed by Amazon trucking operations, with far superior forecast accuracy and better interpretability versus commercially available industry models, even during the COVID-19 pandemic and the Ukraine conflict. Furthermore, our technique is able to capture the influence of business cycles and the heterogeneity of the marketplace, improving prediction accuracy by more than fivefold, with an estimated annualized saving of \$50MM.
Authors: Lorand Vatamany, Siamak Mehrkanoon
Abstract: Accurate precipitation nowcasting is crucial for applications such as flood prediction, disaster management, agriculture optimization, and transportation management. While many studies have approached this task using sequence-to-sequence models, most focus on single regions, ignoring correlations between disjoint areas. We reformulate precipitation nowcasting as a spatiotemporal graph sequence problem. Specifically, we propose Graph Dual-stream Convolutional Attention Fusion, a novel extension of the graph attention network. Our model's dual-stream design employs distinct attention mechanisms for spatial and temporal interactions, capturing their unique dynamics. A gated fusion module integrates both streams, leveraging spatial and temporal information for improved predictive accuracy. Additionally, our framework enhances graph attention by directly processing three-dimensional tensors within graph nodes, removing the need for reshaping. This capability enables handling complex, high-dimensional data and exploiting higher-order correlations between data dimensions. Depthwise-separable convolutions are also incorporated to refine local feature extraction and efficiently manage high-dimensional inputs. We evaluate our model using seven years of precipitation data from Copernicus Climate Change Services, covering Europe and neighboring regions. Experimental results demonstrate superior performance of our approach compared to other models. Moreover, visualizations of seasonal spatial and temporal attention scores provide insights into the most significant connections between regions and time steps.
Authors: Mehmet E. Lorasdagi, Mehmet Y. Turali, Suleyman S. Kozat
Abstract: We investigate feature selection problem for generic machine learning models. We introduce a novel framework that selects features considering the outcomes of the model. Our framework introduces a novel feature masking approach to eliminate the features during the selection process, instead of completely removing them from the dataset. This allows us to use the same machine learning model during feature selection, unlike other feature selection methods where we need to train the machine learning model again as the dataset has different dimensions on each iteration. We obtain the mask operator using the predictions of the machine learning model, which offers a comprehensive view on the subsets of the features essential for the predictive performance of the model. A variety of approaches exist in the feature selection literature. However, to our knowledge, no study has introduced a training-free framework for a generic machine learning model to select features while considering the importance of the feature subsets as a whole, instead of focusing on the individual features. We demonstrate significant performance improvements on the real-life datasets under different settings using LightGBM and Multi-Layer Perceptron as our machine learning models. The high performance of our General Binary Mask Optimization algorithm stems from its feature masking approach to select features and its flexibility in the number of selected features. The algorithm selects features based on the validation performance of the machine learning model. Hence, the number of selected features is not predetermined and adjusts dynamically to the dataset. Additionally, we openly share the implementation or our code to encourage further research in this area.
Authors: Boris Lorbeer, Mustafa Mohsen
Abstract: Nowadays, the need for causal discovery is ubiquitous. A better understanding of not just the stochastic dependencies between parts of a system, but also the actual cause-effect relations, is essential for all parts of science. Thus, the need for reliable methods to detect causal directions is growing constantly. In the last 50 years, many causal discovery algorithms have emerged, but most of them are applicable only under the assumption that the systems have no feedback loops and that they are causally sufficient, i.e. that there are no unmeasured subsystems that can affect multiple measured variables. This is unfortunate since those restrictions can often not be presumed in practice. Feedback is an integral feature of many processes, and real-world systems are rarely completely isolated and fully measured. Fortunately, in recent years, several techniques, that can cope with cyclic, causally insufficient systems, have been developed. And with multiple methods available, a practical application of those algorithms now requires knowledge of the respective strengths and weaknesses. Here, we focus on the problem of causal discovery for sparse linear models which are allowed to have cycles and hidden confounders. We have prepared a comprehensive and thorough comparative study of four causal discovery techniques: two versions of the LLC method [10] and two variants of the ASP-based algorithm [11]. The evaluation investigates the performance of those techniques for various experiments with multiple interventional setups and different dataset sizes.
Authors: Shaogang Ren, Xiaoning Qian
Abstract: Best subset selection is considered the `gold standard' for many sparse learning problems. A variety of optimization techniques have been proposed to attack this non-smooth non-convex problem. In this paper, we investigate the dual forms of a family of $\ell_0$-regularized problems. An efficient primal-dual algorithm is developed based on the primal and dual problem structures. By leveraging the dual range estimation along with the incremental strategy, our algorithm potentially reduces redundant computation and improves the solutions of best subset selection. Theoretical analysis and experiments on synthetic and real-world datasets validate the efficiency and statistical properties of the proposed solutions.
Authors: Mustafa Hajij, Mathilde Papillon, Florian Frantzen, Jens Agerberg, Ibrahem AlJabea, Rub\'en Ballester, Claudio Battiloro, Guillermo Bern\'ardez, Tolga Birdal, Aiden Brent, Peter Chin, Sergio Escalera, Simone Fiorellino, Odin Hoff Gardaa, Gurusankar Gopalakrishnan, Devendra Govil, Josef Hoppe, Maneel Reddy Karri, Jude Khouja, Manuel Lecha, Neal Livesay, Jan Mei{\ss}ner, Soham Mukherjee, Alexander Nikitin, Theodore Papamarkou, Jaro Pr\'ilepok, Karthikeyan Natesan Ramamurthy, Paul Rosen, Aldo Guzm\'an-S\'aenz, Alessandro Salatiello, Shreyas N. Samaga, Simone Scardapane, Michael T. Schaub, Luca Scofano, Indro Spinelli, Lev Telyatnikov, Quang Truong, Robin Walters, Maosheng Yang, Olga Zaghen, Ghada Zamzmi, Ali Zia, Nina Miolane
Abstract: We introduce TopoX, a Python software suite that provides reliable and user-friendly building blocks for computing and machine learning on topological domains that extend graphs: hypergraphs, simplicial, cellular, path and combinatorial complexes. TopoX consists of three packages: TopoNetX facilitates constructing and computing on these domains, including working with nodes, edges and higher-order cells; TopoEmbedX provides methods to embed topological domains into vector spaces, akin to popular graph-based embedding algorithms such as node2vec; TopoModelX is built on top of PyTorch and offers a comprehensive toolbox of higher-order message passing functions for neural networks on topological domains. The extensively documented and unit-tested source code of TopoX is available under MIT license at https://pyt-team.github.io/}{https://pyt-team.github.io/.
URLs: https://pyt-team.github.io/, https://pyt-team.github.io/.
Authors: Xing Han, Huy Nguyen, Carl Harris, Nhat Ho, Suchi Saria
Abstract: As machine learning models in critical fields increasingly grapple with multimodal data, they face the dual challenges of handling a wide array of modalities, often incomplete due to missing elements, and the temporal irregularity and sparsity of collected samples. Successfully leveraging this complex data, while overcoming the scarcity of high-quality training samples, is key to improving these models' predictive performance. We introduce ``FuseMoE'', a mixture-of-experts framework incorporated with an innovative gating function. Designed to integrate a diverse number of modalities, FuseMoE is effective in managing scenarios with missing modalities and irregularly sampled data trajectories. Theoretically, our unique gating function contributes to enhanced convergence rates, leading to better performance in multiple downstream tasks. The practical utility of FuseMoE in the real world is validated by a diverse set of challenging prediction tasks.
Authors: Goutham Rajendran, Simon Buchholz, Bryon Aragam, Bernhard Sch\"olkopf, Pradeep Ravikumar
Abstract: To build intelligent machine learning systems, there are two broad approaches. One approach is to build inherently interpretable models, as endeavored by the growing field of causal representation learning. The other approach is to build highly-performant foundation models and then invest efforts into understanding how they work. In this work, we relate these two approaches and study how to learn human-interpretable concepts from data. Weaving together ideas from both fields, we formally define a notion of concepts and show that they can be provably recovered from diverse data. Experiments on synthetic data and large language models show the utility of our unified approach.
Authors: Tao Yu, Congzheng Song, Jianyu Wang, Mona Chitnis
Abstract: Asynchronous protocols have been shown to improve the scalability of federated learning (FL) with a massive number of clients. Meanwhile, momentum-based methods can achieve the best model quality in synchronous FL. However, naively applying momentum in asynchronous FL algorithms leads to slower convergence and degraded model performance. It is still unclear how to effective combinie these two techniques together to achieve a win-win. In this paper, we find that asynchrony introduces implicit bias to momentum updates. In order to address this problem, we propose momentum approximation that minimizes the bias by finding an optimal weighted average of all historical model updates. Momentum approximation is compatible with secure aggregation as well as differential privacy, and can be easily integrated in production FL systems with a minor communication and storage cost. We empirically demonstrate that on benchmark FL datasets, momentum approximation can achieve $1.15 \textrm{--}4\times$ speed up in convergence compared to naively combining asynchronous FL with momentum.
Authors: Alexandru Cr\u{a}ciun, Debarghya Ghoshdastidar
Abstract: A vast literature on convergence guarantees for gradient descent and derived methods exists at the moment. However, a simple practical situation remains unexplored: when a fixed step size is used, can we expect gradient descent to converge starting from any initialization? We provide fundamental impossibility results showing that convergence becomes impossible no matter the initialization if the step size gets too big. Looking at the asymptotic value of the gradient norm along the optimization trajectory, we see that there is a sharp transition as the step size crosses a critical value. This has been observed by practitioners, yet the true mechanisms through which this happens remain unclear beyond heuristics. Using results from dynamical systems theory, we provide a proof of this in the case of linear neural networks with a squared loss. We also prove the impossibility of convergence for more general losses without requiring strong assumptions such as Lipschitz continuity for the gradient. We validate our findings through experiments with non-linear networks.
Authors: Stephen Pasteris, Chris Hicks, Vasilios Mavroudis
Abstract: Running backpropagation end to end on large neural networks is fraught with difficulties like vanishing gradients and degradation. In this paper we present an alternative architecture composed of many small neural networks that interact with one another. Instead of propagating gradients back through the architecture we propagate vector-valued messages computed via forward passes, which are then used to update the parameters. Currently the performance is conjectured as we are yet to implement the architecture. However, we do back it up with some theory. A previous version of this paper was entitled "Fusion encoder networks" and detailed a slightly different architecture.
Authors: Kaiyue Wen, Xingyu Dang, Kaifeng Lyu
Abstract: This paper investigates the gap in representation powers of Recurrent Neural Networks (RNNs) and Transformers in the context of solving algorithmic problems. We focus on understanding whether RNNs, known for their memory efficiency in handling long sequences, can match the performance of Transformers, particularly when enhanced with Chain-of-Thought (CoT) prompting. Our theoretical analysis reveals that CoT improves RNNs but is insufficient to close the gap with Transformers. A key bottleneck lies in the inability of RNNs to perfectly retrieve information from the context, even with CoT: for several tasks that explicitly or implicitly require this capability, such as associative recall and determining if a graph is a tree, we prove that RNNs are not expressive enough to solve the tasks while Transformers can solve them with ease. Conversely, we prove that adopting techniques to enhance the in-context retrieval capability of RNNs, including Retrieval-Augmented Generation (RAG) and adding a single Transformer layer, can elevate RNNs to be capable of solving all polynomial-time solvable problems with CoT, hence closing the representation gap with Transformers.
Authors: Sayantan Choudhury, Nazarii Tupitsa, Nicolas Loizou, Samuel Horvath, Martin Takac, Eduard Gorbunov
Abstract: Adaptive methods are extremely popular in machine learning as they make learning rate tuning less expensive. This paper introduces a novel optimization algorithm named KATE, which presents a scale-invariant adaptation of the well-known AdaGrad algorithm. We prove the scale-invariance of KATE for the case of Generalized Linear Models. Moreover, for general smooth non-convex problems, we establish a convergence rate of $O \left(\frac{\log T}{\sqrt{T}} \right)$ for KATE, matching the best-known ones for AdaGrad and Adam. We also compare KATE to other state-of-the-art adaptive algorithms Adam and AdaGrad in numerical experiments with different problems, including complex machine learning tasks like image classification and text classification on real data. The results indicate that KATE consistently outperforms AdaGrad and matches/surpasses the performance of Adam in all considered scenarios.
Authors: Dimitar I. Dimitrov, Maximilian Baader, Mark Niklas M\"uller, Martin Vechev
Abstract: Federated learning is a framework for collaborative machine learning where clients only share gradient updates and not their private data with a server. However, it was recently shown that gradient inversion attacks can reconstruct this data from the shared gradients. In the important honest-but-curious setting, existing attacks enable exact reconstruction only for batch size of $b=1$, with larger batches permitting only approximate reconstruction. In this work, we propose SPEAR, the first algorithm reconstructing whole batches with $b >1$ exactly. SPEAR combines insights into the explicit low-rank structure of gradients with a sampling-based algorithm. Crucially, we leverage ReLU-induced gradient sparsity to precisely filter out large numbers of incorrect samples, making a final reconstruction step tractable. We provide an efficient GPU implementation for fully connected networks and show that it recovers high-dimensional ImageNet inputs in batches of up to $b \lesssim 25$ exactly while scaling to large networks. Finally, we show theoretically that much larger batches can be reconstructed with high probability given exponential time.
Authors: Akshay Kumar, Jarvis Haupt
Abstract: This paper studies the gradient flow dynamics that arise when training deep homogeneous neural networks assumed to have locally Lipschitz gradients and an order of homogeneity strictly greater than two. It is shown here that for sufficiently small initializations, during the early stages of training, the weights of the neural network remain small in (Euclidean) norm and approximately converge in direction to the Karush-Kuhn-Tucker (KKT) points of the recently introduced neural correlation function. Additionally, this paper also studies the KKT points of the neural correlation function for feed-forward networks with (Leaky) ReLU and polynomial (Leaky) ReLU activations, deriving necessary and sufficient conditions for rank-one KKT points.
Authors: Gregory Dexter, Christos Boutsikas, Linkai Ma, Ilse C. F. Ipsen, Petros Drineas
Abstract: Motivated by the popularity of stochastic rounding in the context of machine learning and the training of large-scale deep neural network models, we consider stochastic nearness rounding of real matrices $\mathbf{A}$ with many more rows than columns. We provide novel theoretical evidence, supported by extensive experimental evaluation that, with high probability, the smallest singular value of a stochastically rounded matrix is well bounded away from zero -- regardless of how close $\mathbf{A}$ is to being rank deficient and even if $\mathbf{A}$ is rank-deficient. In other words, stochastic rounding \textit{implicitly regularizes} tall and skinny matrices $\mathbf{A}$ so that the rounded version has full column rank. Our proofs leverage powerful results in random matrix theory, and the idea that stochastic rounding errors do not concentrate in low-dimensional column spaces.
Authors: Yewon Byun, Dylan Sam, Michael Oberst, Zachary C. Lipton, Bryan Wilder
Abstract: Many definitions of fairness or inequity involve unobservable causal quantities that cannot be directly estimated without strong assumptions. For instance, it is particularly difficult to estimate notions of fairness that rely on hard-to-measure concepts such as risk (e.g., quantifying whether patients at the same risk level have equal probability of treatment, regardless of group membership). Such measurements of risk can be accurately obtained when no unobserved confounders have jointly influenced past decisions and outcomes. However, in the real world, this assumption rarely holds. In this paper, we show that, surprisingly, one can still compute meaningful bounds on treatment rates for high-risk individuals (i.e., conditional on their true, \textit{unobserved} negative outcome), even when entirely eliminating or relaxing the assumption that we observe all relevant risk factors used by decision makers. We use the fact that in many real-world settings (e.g., the release of a new treatment) we have data from prior to any allocation to derive unbiased estimates of risk. This result enables us to audit unfair outcomes of existing decision-making systems in a principled manner. We demonstrate the effectiveness of our framework with a real-world study of Paxlovid allocation, provably identifying that observed racial inequity cannot be explained by unobserved confounders of the same strength as important observed covariates.
Authors: Mubashara Akhtar, Omar Benjelloun, Costanza Conforti, Luca Foschini, Joan Giner-Miguelez, Pieter Gijsbers, Sujata Goswami, Nitisha Jain, Michalis Karamousadakis, Michael Kuchnik, Satyapriya Krishna, Sylvain Lesage, Quentin Lhoest, Pierre Marcenac, Manil Maskey, Peter Mattson, Luis Oala, Hamidah Oderinwale, Pierre Ruyssen, Tim Santos, Rajat Shinde, Elena Simperl, Arjun Suresh, Goeffry Thomas, Slava Tykhonov, Joaquin Vanschoren, Susheel Varma, Jos van der Velde, Steffen Vogler, Carole-Jean Wu, Luyao Zhang
Abstract: Data is a critical resource for machine learning (ML), yet working with data remains a key friction point. This paper introduces Croissant, a metadata format for datasets that creates a shared representation across ML tools, frameworks, and platforms. Croissant makes datasets more discoverable, portable, and interoperable, thereby addressing significant challenges in ML data management. Croissant is already supported by several popular dataset repositories, spanning hundreds of thousands of datasets, enabling easy loading into the most commonly-used ML frameworks, regardless of where the data is stored. Our initial evaluation by human raters shows that Croissant metadata is readable, understandable, complete, yet concise.
Authors: Juan Du, Yukun Xie, Chen Zhang
Abstract: In modern manufacturing, most products are conforming. Few products are nonconforming with different defect types. The identification of defect types can help further root cause diagnosis of production lines. With the sensing technology development, process variables evolved as time changes, which can be collected in high resolution as multichannel functional data. These functional data have rich information to characterize the process and help identify the defect types. Motivated by a real example from the threaded pipe connection process, we focus on defect classification where each sample is represented as partially observed multichannel functional data. However, the available samples for each defect type are limited and imbalanced. The functional data is partially observed since the pre-connection process before the threaded pipe connection process is unobserved as there is no sensor installed in the production line. Therefore, the defect classification based on imbalanced, multichannel, and partially observed functional data is very important but challenging. To deal with these challenges, we propose an innovative classification approach named as COMPILED based on deep metric learning. The framework leverages the power of deep metric learning to train on imbalanced datasets. A novel neural network structure is proposed to handle multichannel partially observed functional data. The results from a real-world case study demonstrate the superior accuracy of our framework when compared to existing benchmarks.
Authors: Guangchen Lan, Dong-Jun Han, Abolfazl Hashemi, Vaneet Aggarwal, Christopher G. Brinton
Abstract: To improve the efficiency of reinforcement learning (RL), we propose a novel asynchronous federated reinforcement learning (FedRL) framework termed AFedPG, which constructs a global model through collaboration among $N$ agents using policy gradient (PG) updates. To address the challenge of lagged policies in asynchronous settings, we design a delay-adaptive lookahead technique \textit{specifically for FedRL} that can effectively handle heterogeneous arrival times of policy gradients. We analyze the theoretical global convergence bound of AFedPG, and characterize the advantage of the proposed algorithm in terms of both the sample complexity and time complexity. Specifically, our AFedPG method achieves $O(\frac{{\epsilon}^{-2.5}}{N})$ sample complexity for global convergence at each agent on average. Compared to the single agent setting with $O(\epsilon^{-2.5})$ sample complexity, it enjoys a linear speedup with respect to the number of agents. Moreover, compared to synchronous FedPG, AFedPG improves the time complexity from $O(\frac{t_{\max}}{N})$ to $O({\sum_{i=1}^{N} \frac{1}{t_{i}}})^{-1}$, where $t_{i}$ denotes the time consumption in each iteration at agent $i$, and $t_{\max}$ is the largest one. The latter complexity $O({\sum_{i=1}^{N} \frac{1}{t_{i}}})^{-1}$ is always smaller than the former one, and this improvement becomes significant in large-scale federated settings with heterogeneous computing powers ($t_{\max}\gg t_{\min}$). Finally, we empirically verify the improved performance of AFedPG in four widely-used MuJoCo environments with varying numbers of agents. We also demonstrate the advantages of AFedPG in various computing heterogeneity scenarios.
Authors: Oliver Lloyd, Yi Liu, Tom R. Gaunt
Abstract: Motivation: Adverse reactions from drug combinations are increasingly common, making their accurate prediction a crucial challenge in modern medicine. Laboratory-based identification of these reactions is insufficient due to the combinatorial nature of the problem. While many computational approaches have been proposed, tensor factorisation models have shown mixed results, necessitating a thorough investigation of their capabilities when properly optimized. Results: We demonstrate that tensor factorisation models can achieve state-of-the-art performance on polypharmacy side effect prediction, with our best model (SimplE) achieving median scores of 0.978 AUROC, 0.971 AUPRC, and 1.000 AP@50 across 963 side effects. Notably, this model reaches 98.3\% of its maximum performance after just two epochs of training (approximately 4 minutes), making it substantially faster than existing approaches while maintaining comparable accuracy. We also find that incorporating monopharmacy data as self-looping edges in the graph performs marginally better than using it to initialize embeddings. Availability and Implementation: All code used in the experiments is available in our GitHub repository (https://doi.org/10.5281/zenodo.10684402). The implementation was carried out using Python 3.8.12 with PyTorch 1.7.1, accelerated with CUDA 11.4 on NVIDIA GeForce RTX 2080 Ti GPUs. Contact: oliver.lloyd@bristol.ac.uk Supplementary information: Supplementary data, including precision-recall curves and F1 curves for the best performing model, are available at Bioinformatics online.
Authors: Xiaorui Qi, Qijie Bai, Yanlong Wen, Haiwei Zhang, Xiaojie Yuan
Abstract: Graph Transformers (GTs) have made remarkable achievements in graph-level tasks. However, most existing works regard graph structures as a form of guidance or bias for enhancing node representations, which focuses on node-central perspectives and lacks explicit representations of edges and structures. One natural question arises as to whether we can leverage a hypernode to represent some structures. Through experimental analysis, we explore the feasibility of this assumption. Based on our findings, we propose an efficient Loop and Clique Coarsening algorithm with linear complexity for Graph Classification (LCC4GC) on GT architecture. Specifically, we build three unique views, original, coarsening, and conversion, to learn a thorough structural representation. We compress loops and cliques via hierarchical heuristic graph coarsening and restrict them with well-designed constraints, which builds the coarsening view to learn high-level interactions between structures. We also introduce line graphs for edge embeddings and switch to edge-central perspective to alleviate the impact of coarsening reduction. Experiments on eight real-world datasets demonstrate the improvements of LCC4GC over 31 baselines from various architectures.
Authors: Yongxian Wei, Zixuan Hu, Zhenyi Wang, Li Shen, Chun Yuan, Dacheng Tao
Abstract: Data-Free Meta-Learning (DFML) aims to extract knowledge from a collection of pre-trained models without requiring the original data, presenting practical benefits in contexts constrained by data privacy concerns. Current DFML methods primarily focus on the data recovery from these pre-trained models. However, they suffer from slow recovery speed and overlook gaps inherent in heterogeneous pre-trained models. In response to these challenges, we introduce the Faster and Better Data-Free Meta-Learning (FREE) framework, which contains: (i) a meta-generator for rapidly recovering training tasks from pre-trained models; and (ii) a meta-learner for generalizing to new unseen tasks. Specifically, within the module Faster Inversion via Meta-Generator, each pre-trained model is perceived as a distinct task. The meta-generator can rapidly adapt to a specific task in just five steps, significantly accelerating the data recovery. Furthermore, we propose Better Generalization via Meta-Learner and introduce an implicit gradient alignment algorithm to optimize the meta-learner. This is achieved as aligned gradient directions alleviate potential conflicts among tasks from heterogeneous pre-trained models. Empirical experiments on multiple benchmarks affirm the superiority of our approach, marking a notable speed-up (20$\times$) and performance enhancement (1.42%$\sim$4.78%) in comparison to the state-of-the-art.
Authors: Mudit Gaur, Amrit Singh Bedi, Di Wang, Vaneet Aggarwal
Abstract: The current state-of-the-art theoretical analysis of Actor-Critic (AC) algorithms significantly lags in addressing the practical aspects of AC implementations. This crucial gap needs bridging to bring the analysis in line with practical implementations of AC. To address this, we advocate for considering the MMCLG criteria: \textbf{M}ulti-layer neural network parametrization for actor/critic, \textbf{M}arkovian sampling, \textbf{C}ontinuous state-action spaces, the performance of the \textbf{L}ast iterate, and \textbf{G}lobal optimality. These aspects are practically significant and have been largely overlooked in existing theoretical analyses of AC algorithms. In this work, we address these gaps by providing the first comprehensive theoretical analysis of AC algorithms that encompasses all five crucial practical aspects (covers MMCLG criteria). We establish global convergence sample complexity bounds of $\tilde{\mathcal{O}}\left({\epsilon^{-3}}\right)$. We achieve this result through our novel use of the weak gradient domination property of MDP's and our unique analysis of the error in critic estimation.
Authors: Sander Dalm, Joshua Offergeld, Nasir Ahmad, Marcel van Gerven
Abstract: The backpropagation algorithm remains the dominant and most successful method for training deep neural networks (DNNs). At the same time, training DNNs at scale comes at a significant computational cost and therefore a high carbon footprint. Converging evidence suggests that input decorrelation may speed up deep learning. However, to date, this has not yet translated into substantial improvements in training efficiency in large-scale DNNs. This is mainly caused by the challenge of enforcing fast and stable network-wide decorrelation. Here, we show for the first time that much more efficient training of very deep neural networks using decorrelated backpropagation is feasible. To achieve this goal we made use of a novel algorithm which induces network-wide input decorrelation using minimal computational overhead. By combining this algorithm with careful optimizations, we obtain a more than two-fold speed-up and higher test accuracy compared to backpropagation when training a 18-layer deep residual network. This demonstrates that decorrelation provides exciting prospects for efficient deep learning at scale.
Authors: Youbang Sun, Shixiang Chen, Alfredo Garcia, Shahin Shahrampour
Abstract: In this paper, we investigate decentralized non-convex optimization with orthogonal constraints. Conventional algorithms for this setting require either manifold retractions or other types of projection to ensure feasibility, both of which involve costly linear algebra operations (e.g., SVD or matrix inversion). On the other hand, infeasible methods are able to provide similar performance with higher computational efficiency. Inspired by this, we propose the first decentralized version of the retraction-free landing algorithm, called \textbf{D}ecentralized \textbf{R}etraction-\textbf{F}ree \textbf{G}radient \textbf{T}racking (DRFGT). We theoretically prove that DRFGT enjoys the ergodic convergence rate of $\mathcal{O}(1/K)$, matching the convergence rate of centralized, retraction-based methods. We further establish that under a local Riemannian P{\L} condition, DRFGT achieves a much faster linear convergence rate. Numerical experiments demonstrate that DRFGT performs on par with the state-of-the-art retraction-based methods with substantially reduced computational overhead.
Authors: Sebastian Bruch, Aditya Krishnan, Franco Maria Nardini
Abstract: Clustering-based nearest neighbor search is an effective method in which points are partitioned into geometric shards to form an index, with only a few shards searched during query processing to find a set of top-$k$ vectors. Even though the search efficacy is heavily influenced by the algorithm that identifies the shards to probe, it has received little attention in the literature. This work bridges that gap by studying routing in clustering-based maximum inner product search. We unpack existing routers and notice the surprising contribution of optimism. We then take a page from the sequential decision making literature and formalize that insight following the principle of ``optimism in the face of uncertainty.'' In particular, we present a framework that incorporates the moments of the distribution of inner products within each shard to estimate the maximum inner product. We then present an instance of our algorithm that uses only the first two moments to reach the same accuracy as state-of-the-art routers such as ScaNN by probing up to $50\%$ fewer points on benchmark datasets. Our algorithm is also space-efficient: we design a sketch of the second moment whose size is independent of the number of points and requires $\mathcal{O}(1)$ vectors per shard.
Authors: Hadi Vafaii, Dekel Galor, Jacob L. Yates
Abstract: Variational autoencoders (VAEs) employ Bayesian inference to interpret sensory inputs, mirroring processes that occur in primate vision across both ventral (Higgins et al., 2021) and dorsal (Vafaii et al., 2023) pathways. Despite their success, traditional VAEs rely on continuous latent variables, which deviates sharply from the discrete nature of biological neurons. Here, we developed the Poisson VAE (P-VAE), a novel architecture that combines principles of predictive coding with a VAE that encodes inputs into discrete spike counts. Combining Poisson-distributed latent variables with predictive coding introduces a metabolic cost term in the model loss function, suggesting a relationship with sparse coding which we verify empirically. Additionally, we analyze the geometry of learned representations, contrasting the P-VAE to alternative VAE models. We find that the P-VAE encodes its inputs in relatively higher dimensions, facilitating linear separability of categories in a downstream classification task with a much better (5x) sample efficiency. Our work provides an interpretable computational framework to study brain-like sensory processing and paves the way for a deeper understanding of perception as an inferential process.
Authors: Jerome Sieber, Carmen Amo Alonso, Alexandre Didier, Melanie N. Zeilinger, Antonio Orvieto
Abstract: Softmax attention is the principle backbone of foundation models for various artificial intelligence applications, yet its quadratic complexity in sequence length can limit its inference throughput in long-context settings. To address this challenge, alternative architectures such as linear attention, State Space Models (SSMs), and Recurrent Neural Networks (RNNs) have been considered as more efficient alternatives. While connections between these approaches exist, such models are commonly developed in isolation and there is a lack of theoretical understanding of the shared principles underpinning these architectures and their subtle differences, greatly influencing performance and scalability. In this paper, we introduce the Dynamical Systems Framework (DSF), which allows a principled investigation of all these architectures in a common representation. Our framework facilitates rigorous comparisons, providing new insights on the distinctive characteristics of each model class. For instance, we compare linear attention and selective SSMs, detailing their differences and conditions under which both are equivalent. We also provide principled comparisons between softmax attention and other model classes, discussing the theoretical conditions under which softmax attention can be approximated. Additionally, we substantiate these new insights with empirical validations and mathematical arguments. This shows the DSF's potential to guide the systematic development of future more efficient and scalable foundation models.
Authors: Lorenzo Tiberi, Francesca Mignacco, Kazuki Irie, Haim Sompolinsky
Abstract: Despite the remarkable empirical performance of Transformers, their theoretical understanding remains elusive. Here, we consider a deep multi-head self-attention network, that is closely related to Transformers yet analytically tractable. We develop a statistical mechanics theory of Bayesian learning in this model, deriving exact equations for the network's predictor statistics under the finite-width thermodynamic limit, i.e., $N,P\rightarrow\infty$, $P/N=\mathcal{O}(1)$, where $N$ is the network width and $P$ is the number of training examples. Our theory shows that the predictor statistics are expressed as a sum of independent kernels, each one pairing different 'attention paths', defined as information pathways through different attention heads across layers. The kernels are weighted according to a 'task-relevant kernel combination' mechanism that aligns the total kernel with the task labels. As a consequence, this interplay between attention paths enhances generalization performance. Experiments confirm our findings on both synthetic and real-world sequence classification tasks. Finally, our theory explicitly relates the kernel combination mechanism to properties of the learned weights, allowing for a qualitative transfer of its insights to models trained via gradient descent. As an illustration, we demonstrate an efficient size reduction of the network, by pruning those attention heads that are deemed less relevant by our theory.
Authors: Yongxian Wei, Zixuan Hu, Li Shen, Zhenyi Wang, Yu Li, Chun Yuan, Dacheng Tao
Abstract: Data-Free Meta-Learning (DFML) aims to derive knowledge from a collection of pre-trained models without accessing their original data, enabling the rapid adaptation to new unseen tasks. Current methods often overlook the heterogeneity among pre-trained models, which leads to performance degradation due to task conflicts. In this paper, we empirically and theoretically identify and analyze the model heterogeneity in DFML. We find that model heterogeneity introduces a heterogeneity-homogeneity trade-off, where homogeneous models reduce task conflicts but also increase the overfitting risk. Balancing this trade-off is crucial for learning shared representations across tasks. Based on our findings, we propose Task Groupings Regularization that benefits from model heterogeneity by grouping and aligning conflicting tasks. Specifically, we embed pre-trained models into a task space to compute dissimilarity, and group heterogeneous models together based on this measure. Then, we introduce implicit gradient regularization within each group to mitigate potential conflicts. By encouraging a gradient direction suitable for all tasks, the meta-model captures shared representations that generalize across tasks. Comprehensive experiments showcase the superiority of our approach in multiple benchmarks, effectively tackling the model heterogeneity in challenging multi-domain and multi-architecture scenarios.
Authors: Ziqi Zhang, Zifeng Zhuang, Jingzehua Xu, Donglin Wang, Miao Liu, Shuai Zhang
Abstract: Typically, traditional Imitation Learning (IL) methods first shape a reward or Q function and then use this shaped function within a reinforcement learning (RL) framework to optimize the empirical policy. However, if the shaped reward/Q function does not adequately represent the ground truth reward/Q function, updating the policy within a multi-step RL framework may result in cumulative bias, further impacting policy learning. Although utilizing behavior cloning (BC) to learn a policy by directly mimicking a few demonstrations in a single-step updating manner can avoid cumulative bias, BC tends to greedily imitate demonstrated actions, limiting its capacity to generalize to unseen state action pairs. To address these challenges, we propose ADR-BC, which aims to enhance behavior cloning through augmented density-based action support, optimizing the policy with this augmented support. Specifically, the objective of ADR-BC shares the similar physical meanings that matching expert distribution while diverging the sub-optimal distribution. Therefore, ADR-BC can achieve more robust expert distribution matching. Meanwhile, as a one-step behavior cloning framework, ADR-BC avoids the cumulative bias associated with multi-step RL frameworks. To validate the performance of ADR-BC, we conduct extensive experiments. Specifically, ADR-BC showcases a 10.5% improvement over the previous state-of-the-art (SOTA) generalized IL baseline, CEIL, across all tasks in the Gym-Mujoco domain. Additionally, it achieves an 89.5% improvement over Implicit Q Learning (IQL) using real rewards across all tasks in the Adroit and Kitchen domains. On the other hand, we conduct extensive ablations to further demonstrate the effectiveness of ADR-BC.
Authors: Ya-Wei Eileen Lin, Ronen Talmon, Ron Levie
Abstract: Equivariant machine learning is an approach for designing deep learning models that respect the symmetries of the problem, with the aim of reducing model complexity and improving generalization. In this paper, we focus on an extension of shift equivariance, which is the basis of convolution networks on images, to general graphs. Unlike images, graphs do not have a natural notion of domain translation. Therefore, we consider the graph functional shifts as the symmetry group: the unitary operators that commute with the graph shift operator. Notably, such symmetries operate in the signal space rather than directly in the spatial space. We remark that each linear filter layer of a standard spectral graph neural network (GNN) commutes with graph functional shifts, but the activation function breaks this symmetry. Instead, we propose nonlinear spectral filters (NLSFs) that are fully equivariant to graph functional shifts and show that they have universal approximation properties. The proposed NLSFs are based on a new form of spectral domain that is transferable between graphs. We demonstrate the superior performance of NLSFs over existing spectral GNNs in node and graph classification benchmarks.
Authors: Yilong Chen, Linhao Zhang, Junyuan Shang, Zhenyu Zhang, Tingwen Liu, Shuohuan Wang, Yu Sun
Abstract: Large language models (LLMs) with billions of parameters demonstrate impressive performance. However, the widely used Multi-Head Attention (MHA) in LLMs incurs substantial computational and memory costs during inference. While some efforts have optimized attention mechanisms by pruning heads or sharing parameters among heads, these methods often lead to performance degradation or necessitate substantial continued pre-training costs to restore performance. Based on the analysis of attention redundancy, we design a Decoupled-Head Attention (DHA) mechanism. DHA adaptively configures group sharing for key heads and value heads across various layers, achieving a better balance between performance and efficiency. Inspired by the observation of clustering similar heads, we propose to progressively transform the MHA checkpoint into the DHA model through linear fusion of similar head parameters step by step, retaining the parametric knowledge of the MHA checkpoint. We construct DHA models by transforming various scales of MHA checkpoints given target head budgets. Our experiments show that DHA remarkably requires a mere 0.25\% of the original model's pre-training budgets to achieve 97.6\% of performance while saving 75\% of KV cache. Compared to Group-Query Attention (GQA), DHA achieves a 5$\times$ training acceleration, a maximum of 13.93\% performance improvement under 0.01\% pre-training budget, and 4\% relative improvement under 0.05\% pre-training budget.
Authors: Andrew Jesson, Nicolas Beltran-Velez, Quentin Chu, Sweta Karlekar, Jannik Kossen, Yarin Gal, John P. Cunningham, David Blei
Abstract: This paper presents a method for estimating the hallucination rate for in-context learning (ICL) with generative AI. In ICL, a conditional generative model (CGM) is prompted with a dataset and a prediction question and asked to generate a response. One interpretation of ICL assumes that the CGM computes the posterior predictive of an unknown Bayesian model, which implicitly defines a joint distribution over observable datasets and latent mechanisms. This joint distribution factorizes into two components: the model prior over mechanisms and the model likelihood of datasets given a mechanism. With this perspective, we define a hallucination as a generated response to the prediction question with low model likelihood given the mechanism. We develop a new method that takes an ICL problem and estimates the probability that a CGM will generate a hallucination. Our method only requires generating prediction questions and responses from the CGM and evaluating its response log probability. We empirically evaluate our method using large language models for synthetic regression and natural language ICL tasks.
Authors: Andrew Szot, Bogdan Mazoure, Harsh Agrawal, Devon Hjelm, Zsolt Kira, Alexander Toshev
Abstract: Multimodal Large Language Models (MLLMs) have demonstrated a wide range of capabilities across many domains, including Embodied AI. In this work, we study how to best ground a MLLM into different embodiments and their associated action spaces, with the goal of leveraging the multimodal world knowledge of the MLLM. We first generalize a number of methods through a unified architecture and the lens of action space adaptors. For continuous actions, we show that a learned tokenization allows for sufficient modeling precision, yielding the best performance on downstream tasks. For discrete actions, we demonstrate that semantically aligning these actions with the native output token space of the MLLM leads to the strongest performance. We arrive at these lessons via a thorough study of seven action space adapters on five different environments, encompassing over 114 embodied tasks.
Authors: Gang Hu, Yinglei Teng, Nan Wang, Zhu Han
Abstract: Federated Edge Learning (FEEL) emerges as a pioneering distributed machine learning paradigm for the 6G Hyper-Connectivity, harnessing data from the Internet of Things (IoT) devices while upholding data privacy. However, current FEEL algorithms struggle with non-independent and non-identically distributed (non-IID) data, leading to elevated communication costs and compromised model accuracy. To address these statistical imbalances within FEEL, we introduce a clustered data sharing framework, mitigating data heterogeneity by selectively sharing partial data from cluster heads to trusted associates through sidelink-aided multicasting. The collective communication pattern is integral to FEEL training, where both cluster formation and the efficiency of communication and computation impact training latency and accuracy simultaneously. To tackle the strictly coupled data sharing and resource optimization, we decompose the overall optimization problem into the clients clustering and effective data sharing subproblems. Specifically, a distribution-based adaptive clustering algorithm (DACA) is devised basing on three deductive cluster forming conditions, which ensures the maximum sharing yield. Meanwhile, we design a stochastic optimization based joint computed frequency and shared data volume optimization (JFVO) algorithm, determining the optimal resource allocation with an uncertain objective function. The experiments show that the proposed framework facilitates FEEL on non-IID datasets with faster convergence rate and higher model accuracy in a limited communication environment.
Authors: Hugo Inzirillo, Remi Genet
Abstract: We propose a novel approach that enhances multivariate function approximation using learnable path signatures and Kolmogorov-Arnold networks (KANs). We enhance the learning capabilities of these networks by weighting the values obtained by KANs using learnable path signatures, which capture important geometric features of paths. This combination allows for a more comprehensive and flexible representation of sequential and temporal data. We demonstrate through studies that our SigKANs with learnable path signatures perform better than conventional methods across a range of function approximation challenges. By leveraging path signatures in neural networks, this method offers intriguing opportunities to enhance performance in time series analysis and time series forecasting, among other fields.
Authors: Steven Kolawole, Don Dennis, Ameet Talwalkar, Virginia Smith
Abstract: Adaptive inference schemes reduce the cost of machine learning inference by assigning smaller models to easier examples, attempting to avoid invocation of larger models when possible. In this work we explore a simple, effective adaptive inference technique we term Agreement-Based Cascading (ABC). ABC builds a cascade of models of increasing size/complexity, and uses agreement between ensembles of models at each level of the cascade as a basis for data-dependent routing. Although ensemble execution introduces additional expense, we show that these costs can be easily offset in practice due to large expected differences in model sizes, parallel inference execution capabilities, and accuracy benefits of ensembling. We examine ABC theoretically and empirically in terms of these parameters, showing that the approach can reliably act as a drop-in replacement for existing models and surpass the best single model it aims to replace in terms of both efficiency and accuracy. Additionally, we explore the performance of ABC relative to existing cascading methods in three common scenarios: (1) edge-to-cloud inference, where ABC reduces communication costs by up to 14x; (2) cloud-based model serving, where it achieves a 3x reduction in rental costs; and (3) inference via model API services, where ABC achieves a 2-25x reduction in average price per token/request relative to state-of-the-art LLM cascades.
Authors: Songchi Zhou, Ge Song, Haoqi Sun, Yue Leng, M. Brandon Westover, Shenda Hong
Abstract: Traditional sleep staging categorizes sleep and wakefulness into five coarse-grained classes, overlooking subtle variations within each stage. It provides limited information about the duration of arousal and may hinder research on sleep fragmentation and relevant sleep disorders. To address this issue, we propose a deep learning method for automatic and scalable annotation of continuous sleep depth index (SDI) using existing discrete sleep staging labels. Our approach was validated using polysomnography from over 10,000 recordings across four large-scale cohorts. The results showcased a strong correlation between the decrease in sleep depth index and the increase in duration of arousal. Specific case studies indicated that the sleep depth index captured more nuanced sleep structures than conventional sleep staging. Gaussian mixture models based on the digital biomarkers extracted from the sleep depth index identified two subtypes of sleep, where participants in the disturbed sleep group had a higher prevalence of sleep apnea, insomnia, poor subjective sleep quality, hypertension, and cardiovascular disease. The disturbed subtype was associated with a 42% (hazard ratio 1.42, 95% CI 1.24-1.62) increased risk of mortality and a 29% (hazard ratio 1.29, 95% CI 1.00-1.67) increased risk of fatal cardiovascular disease. Our study underscores the utility of the proposed method for continuous sleep depth annotation, which could reveal more detailed information about the sleep structure and yield novel digital biomarkers for routine clinical use in sleep medicine.
Authors: Junik Bae, Kwanyoung Park, Youngwoon Lee
Abstract: Unsupervised goal-conditioned reinforcement learning (GCRL) is a promising paradigm for developing diverse robotic skills without external supervision. However, existing unsupervised GCRL methods often struggle to cover a wide range of states in complex environments due to their limited exploration and sparse or noisy rewards for GCRL. To overcome these challenges, we propose a novel unsupervised GCRL method that leverages TemporaL Distance-aware Representations (TLDR). Based on temporal distance, TLDR selects faraway goals to initiate exploration and computes intrinsic exploration rewards and goal-reaching rewards. Specifically, our exploration policy seeks states with large temporal distances (i.e. covering a large state space), while the goal-conditioned policy learns to minimize the temporal distance to the goal (i.e. reaching the goal). Our results in six simulated locomotion environments demonstrate that TLDR significantly outperforms prior unsupervised GCRL methods in achieving a wide range of states.
Authors: Federico Tessari, Kunpeng Yao, Neville Hogan
Abstract: Advancements in computational power and hardware efficiency have enabled the tackling of increasingly complex and high-dimensional problems. While artificial intelligence (AI) achieved remarkable results, the interpretability of high-dimensional solutions remains challenging. A critical issue is the comparison of multidimensional quantities, which is essential in techniques like Principal Component Analysis (PCA), or k-means clustering. Common metrics such as cosine similarity, Euclidean distance, and Manhattan distance are often used for such comparisons - for example in muscular synergies of the human motor control system. However, their applicability and interpretability diminish as dimensionality increases. This paper provides a comprehensive analysis of the effects of dimensionality on these metrics. Our results reveal significant limitations of cosine similarity, particularly its dependency on the dimensionality of the vectors, leading to biased and poorly interpretable outcomes. To address this, we introduce the Dimension Insensitive Euclidean Metric (DIEM) which demonstrates superior robustness and generalizability across dimensions. DIEM maintains consistent variability and eliminates the biases observed in traditional metrics, making it a reliable tool for high-dimensional comparisons. This novel metric has the potential to replace cosine similarity, providing a more accurate and insightful method to analyze multidimensional data in fields ranging from neuromotor control to machine and deep learning.
Authors: Jaden Fiotto-Kaufman, Alexander R. Loftus, Eric Todd, Jannik Brinkmann, Koyena Pal, Dmitrii Troitskii, Michael Ripa, Adam Belfki, Can Rager, Caden Juang, Aaron Mueller, Samuel Marks, Arnab Sen Sharma, Francesca Lucchetti, Nikhil Prakash, Carla Brodley, Arjun Guha, Jonathan Bell, Byron C. Wallace, David Bau
Abstract: We introduce NNsight and NDIF, technologies that work in tandem to enable scientific study of very large neural networks. NNsight is an open-source system that extends PyTorch to introduce deferred remote execution. NDIF is a scalable inference service that executes NNsight requests, allowing users to share GPU resources and pretrained models. These technologies are enabled by the intervention graph, an architecture developed to decouple experiment design from model runtime. Together, this framework provides transparent and efficient access to the internals of deep neural networks such as very large language models (LLMs) without imposing the cost or complexity of hosting customized models individually. We conduct a quantitative survey of the machine learning literature that reveals a growing gap in the study of the internals of large-scale AI. We demonstrate the design and use of our framework to address this gap by enabling a range of research methods on huge models. Finally, we conduct benchmarks to compare performance with previous approaches. Code documentation, and materials are available at https://nnsight.net/.
URLs: https://nnsight.net/.
Authors: Ralf Raumanns, Gerard Schouten, Josien P. W. Pluim, Veronika Cheplygina
Abstract: The influence of bias in datasets on the fairness of model predictions is a topic of ongoing research in various fields. We evaluate the performance of skin lesion classification using ResNet-based CNNs, focusing on patient sex variations in training data and three different learning strategies. We present a linear programming method for generating datasets with varying patient sex and class labels, taking into account the correlations between these variables. We evaluated the model performance using three different learning strategies: a single-task model, a reinforcing multi-task model, and an adversarial learning scheme. Our observations include: 1) sex-specific training data yields better results, 2) single-task models exhibit sex bias, 3) the reinforcement approach does not remove sex bias, 4) the adversarial model eliminates sex bias in cases involving only female patients, and 5) datasets that include male patients enhance model performance for the male subgroup, even when female patients are the majority. To generalise these findings, in future research, we will examine more demographic attributes, like age, and other possibly confounding factors, such as skin colour and artefacts in the skin lesions. We make all data and models available on GitHub.
Authors: Chengzuo Zhuge, Jiawei Li, Wei Chen
Abstract: Tipping points occur in many real-world systems, at which the system shifts suddenly from one state to another. The ability to predict the occurrence of tipping points from time series data remains an outstanding challenge and a major interest in a broad range of research fields. Particularly, the widely used methods based on bifurcation theory are neither reliable in prediction accuracy nor applicable for irregularly-sampled time series which are commonly observed from real-world systems. Here we address this challenge by developing a deep learning algorithm for predicting the occurrence of tipping points in untrained systems, by exploiting information about normal forms. Our algorithm not only outperforms traditional methods for regularly-sampled model time series but also achieves accurate predictions for irregularly-sampled model time series and empirical time series. Our ability to predict tipping points for complex systems paves the way for mitigation risks, prevention of catastrophic failures, and restoration of degraded systems, with broad applications in social science, engineering, and biology.
Authors: Matan Atad, Gabriel Gruber, Marx Ribeiro, Luis Fernando Nicolini, Robert Graf, Hendrik M\"oller, Kati Nispel, Ivan Ezhov, Daniel Rueckert, Jan S. Kirschke
Abstract: Accurate calibration of finite element (FE) models is essential across various biomechanical applications, including human intervertebral discs (IVDs), to ensure their reliability and use in diagnosing and planning treatments. However, traditional calibration methods are computationally intensive, requiring iterative, derivative-free optimization algorithms that often take days to converge. This study addresses these challenges by introducing a novel, efficient, and effective calibration method demonstrated on a human L4-L5 IVD FE model as a case study using a neural network (NN) surrogate. The NN surrogate predicts simulation outcomes with high accuracy, outperforming other machine learning models, and significantly reduces the computational cost associated with traditional FE simulations. Next, a Projected Gradient Descent (PGD) approach guided by gradients of the NN surrogate is proposed to efficiently calibrate FE models. Our method explicitly enforces feasibility with a projection step, thus maintaining material bounds throughout the optimization process. The proposed method is evaluated against SOTA Genetic Algorithm and inverse model baselines on synthetic and in vitro experimental datasets. Our approach demonstrates superior performance on synthetic data, achieving an MAE of 0.06 compared to the baselines' MAE of 0.18 and 0.54, respectively. On experimental specimens, our method outperforms the baseline in 5 out of 6 cases. While our approach requires initial dataset generation and surrogate training, these steps are performed only once, and the actual calibration takes under three seconds. In contrast, traditional calibration time scales linearly with the number of specimens, taking up to 8 days in the worst-case. Such efficiency paves the way for applying more complex FE models, potentially extending beyond IVDs, and enabling accurate patient-specific simulations.
Authors: Xingtong Yu, Jie Zhang, Yuan Fang, Renhe Jiang
Abstract: Graphs are ubiquitous for modeling complex relationships between objects across various fields. Graph neural networks (GNNs) have become a mainstream technique for graph-based applications, but their performance heavily relies on abundant labeled data. To reduce labeling requirement, pre-training and prompt learning has become a popular alternative. However, most existing prompt methods do not differentiate homophilic and heterophilic characteristics of real-world graphs. In particular, many real-world graphs are non-homophilic, not strictly or uniformly homophilic with mixing homophilic and heterophilic patterns, exhibiting varying non-homophilic characteristics across graphs and nodes. In this paper, we propose ProNoG, a novel pre-training and prompt learning framework for such non-homophilic graphs. First, we analyze existing graph pre-training methods, providing theoretical insights into the choice of pre-training tasks. Second, recognizing that each node exhibits unique non-homophilic characteristics, we propose a conditional network to characterize the node-specific patterns in downstream tasks. Finally, we thoroughly evaluate and analyze ProNoG through extensive experiments on ten public datasets.
Authors: Jerome Garnier-Brun, Marc M\'ezard, Emanuele Moscato, Luca Saglietti
Abstract: Understanding the learning process and the embedded computation in transformers is becoming a central goal for the development of interpretable AI. In the present study, we introduce a hierarchical filtering procedure for generative models of sequences on trees, allowing us to hand-tune the range of positional correlations in the data. Leveraging this controlled setting, we provide evidence that vanilla encoder-only transformers can approximate the exact inference algorithm when trained on root classification and masked language modeling tasks, and study how this computation is discovered and implemented. We find that correlations at larger distances, corresponding to increasing layers of the hierarchy, are sequentially included by the network during training. Moreover, by comparing attention maps from models trained with varying degrees of filtering and by probing the different encoder levels, we find clear evidence of a reconstruction of correlations on successive length scales corresponding to the various levels of the hierarchy, which we relate to a plausible implementation of the exact inference algorithm within the same architecture.
Authors: Markus Wulfmeier, Michael Bloesch, Nino Vieillard, Arun Ahuja, Jorg Bornschein, Sandy Huang, Artem Sokolov, Matt Barnes, Guillaume Desjardins, Alex Bewley, Sarah Maria Elisabeth Bechtle, Jost Tobias Springenberg, Nikola Momchev, Olivier Bachem, Matthieu Geist, Martin Riedmiller
Abstract: The majority of language model training builds on imitation learning. It covers pretraining, supervised fine-tuning, and affects the starting conditions for reinforcement learning from human feedback (RLHF). The simplicity and scalability of maximum likelihood estimation (MLE) for next token prediction led to its role as predominant paradigm. However, the broader field of imitation learning can more effectively utilize the sequential structure underlying autoregressive generation. We focus on investigating the inverse reinforcement learning (IRL) perspective to imitation, extracting rewards and directly optimizing sequences instead of individual token likelihoods and evaluate its benefits for fine-tuning large language models. We provide a new angle, reformulating inverse soft-Q-learning as a temporal difference regularized extension of MLE. This creates a principled connection between MLE and IRL and allows trading off added complexity with increased performance and diversity of generations in the supervised fine-tuning (SFT) setting. We find clear advantages for IRL-based imitation, in particular for retaining diversity while maximizing task performance, rendering IRL a strong alternative on fixed SFT datasets even without online data generation. Our analysis of IRL-extracted reward functions further indicates benefits for more robust reward functions via tighter integration of supervised and preference-based LLM post-training.
Authors: Andreas Roth, Franka Bause, Nils M. Kriege, Thomas Liebig
Abstract: The ability of message-passing neural networks (MPNNs) to fit complex functions over graphs is limited as most graph convolutions amplify the same signal across all feature channels, a phenomenon known as rank collapse, and over-smoothing as a special case. Most approaches to mitigate over-smoothing extend common message-passing schemes, e.g., the graph convolutional network, by utilizing residual connections, gating mechanisms, normalization, or regularization techniques. Our work contrarily proposes to directly tackle the cause of this issue by modifying the message-passing scheme and exchanging different types of messages using multi-relational graphs. We identify a sufficient condition to ensure linearly independent node representations. As one instantion, we show that operating on multiple directed acyclic graphs always satisfies our condition and propose to obtain these by defining a strict partial ordering of the nodes. We conduct comprehensive experiments that confirm the benefits of operating on multi-relational graphs to achieve more informative node representations.
Authors: Mohammad R. Rezaei, Rahul G. Krishnan, Milos R. Popovic, Milad Lankarany
Abstract: Conditional Flow Matching (CFM) models can generate high-quality samples from a non-informative prior, but they can be slow, often needing hundreds of network evaluations (NFE). To address this, we propose Implicit Dynamical Flow Fusion (IDFF); IDFF learns a new vector field with an additional momentum term that enables taking longer steps during sample generation while maintaining the fidelity of the generated distribution. Consequently, IDFFs reduce the NFEs by a factor of ten (relative to CFMs) without sacrificing sample quality, enabling rapid sampling and efficient handling of image and time-series data generation tasks. We evaluate IDFF on standard benchmarks such as CIFAR-10 and CelebA for image generation, where we achieve likelihood and quality performance comparable to CFMs and diffusion-based models with fewer NFEs. IDFF also shows superior performance on time-series datasets modeling, including molecular simulation and sea surface temperature (SST) datasets, highlighting its versatility and effectiveness across different domains.\href{https://github.com/MrRezaeiUofT/IDFF}{Github Repository}
Authors: V\'ictor Sabanza-Gil, Riccardo Barbano, Daniel Pacheco Guti\'errez, Jeremy S. Luterbacher, Jos\'e Miguel Hern\'andez-Lobato, Philippe Schwaller, Lo\"ic Roch
Abstract: Multi-fidelity Bayesian Optimization (MFBO) is a promising framework to speed up materials and molecular discovery as sources of information of different accuracies are at hand at increasing cost. Despite its potential use in chemical tasks, there is a lack of systematic evaluation of the many parameters playing a role in MFBO. In this work, we provide guidelines and recommendations to decide when to use MFBO in experimental settings. We investigate MFBO methods applied to molecules and materials problems. First, we test two different families of acquisition functions in two synthetic problems and study the effect of the informativeness and cost of the approximate function. We use our implementation and guidelines to benchmark three real discovery problems and compare them against their single-fidelity counterparts. Our results may help guide future efforts to implement MFBO as a routine tool in the chemical sciences.
Authors: Brett Mullins, Miguel Fuentes, Yingtai Xiao, Daniel Kifer, Cameron Musco, Daniel Sheldon
Abstract: Differential privacy is the dominant standard for formal and quantifiable privacy and has been used in major deployments that impact millions of people. Many differentially private algorithms for query release and synthetic data contain steps that reconstruct answers to queries from answers to other queries that have been measured privately. Reconstruction is an important subproblem for such mechanisms to economize the privacy budget, minimize error on reconstructed answers, and allow for scalability to high-dimensional datasets. In this paper, we introduce a principled and efficient postprocessing method ReM (Residuals-to-Marginals) for reconstructing answers to marginal queries. Our method builds on recent work on efficient mechanisms for marginal query release, based on making measurements using a residual query basis that admits efficient pseudoinversion, which is an important primitive used in reconstruction. An extension GReM-LNN (Gaussian Residuals-to-Marginals with Local Non-negativity) reconstructs marginals under Gaussian noise satisfying consistency and non-negativity, which often reduces error on reconstructed answers. We demonstrate the utility of ReM and GReM-LNN by applying them to improve existing private query answering mechanisms.
Authors: Debargha Ganguly, Warren Morningstar, Andrew Yu, Vipin Chaudhary
Abstract: Generative models can now produce photorealistic synthetic data which is virtually indistinguishable from the real data used to train it. This is a significant evolution over previous models which could produce reasonable facsimiles of the training data, but ones which could be visually distinguished from the training data by human evaluation. Recent work on OOD detection has raised doubts that generative model likelihoods are optimal OOD detectors due to issues involving likelihood misestimation, entropy in the generative process, and typicality. We speculate that generative OOD detectors also failed because their models focused on the pixels rather than the semantic content of the data, leading to failures in near-OOD cases where the pixels may be similar but the information content is significantly different. We hypothesize that estimating typical sets using self-supervised learners leads to better OOD detectors. We introduce a novel approach that leverages representation learning, and informative summary statistics based on manifold estimation, to address all of the aforementioned issues. Our method outperforms other unsupervised approaches and achieves state-of-the art performance on well-established challenging benchmarks, and new synthetic data detection tasks.
Authors: Fan Chen, Dylan J. Foster, Yanjun Han, Jian Qian, Alexander Rakhlin, Yunbei Xu
Abstract: We develop a unifying framework for information-theoretic lower bound in statistical estimation and interactive decision making. Classical lower bound techniques -- such as Fano's method, Le Cam's method, and Assouad's lemma -- are central to the study of minimax risk in statistical estimation, yet are insufficient to provide tight lower bounds for \emph{interactive decision making} algorithms that collect data interactively (e.g., algorithms for bandits and reinforcement learning). Recent work of Foster et al. (2021, 2023) provides minimax lower bounds for interactive decision making using seemingly different analysis techniques from the classical methods. These results -- which are proven using a complexity measure known as the \emph{Decision-Estimation Coefficient} (DEC) -- capture difficulties unique to interactive learning, yet do not recover the tightest known lower bounds for passive estimation. We propose a unified view of these distinct methodologies through a new lower bound approach called \emph{interactive Fano method}. As an application, we introduce a novel complexity measure, the \emph{Fractional Covering Number}, which facilitates the new lower bounds for interactive decision making that extend the DEC methodology by incorporating the complexity of estimation. Using the fractional covering number, we (i) provide a unified characterization of learnability for \emph{any} stochastic bandit problem, (ii) close the remaining gap between the upper and lower bounds in Foster et al. (2021, 2023) (up to polynomial factors) for any interactive decision making problem in which the underlying model class is convex.
Authors: Xueru Wen, Jie Lou, Yaojie Lu, Hongyu Lin, Xing Yu, Xinyu Lu, Ben He, Xianpei Han, Debing Zhang, Le Sun
Abstract: Reward Models (RMs) are crucial for aligning language models with human preferences. Currently, the evaluation of RMs depends on measuring accuracy against a validation set of manually annotated preference data. Although this method is straightforward and widely adopted, the relationship between RM accuracy and downstream policy performance remains under-explored. In this work, we conduct experiments in a synthetic setting to investigate how differences in RM measured by accuracy translate into gaps in optimized policy performance. Our findings reveal that while there is a weak positive correlation between accuracy and downstream performance, policies optimized towards RMs with similar accuracy can exhibit quite different performance. Moreover, we discover that the way of measuring accuracy significantly impacts its ability to predict the final policy performance. Through the lens of the Regressional Goodhart effect, we recognize that accuracy, when used for measuring RM quality, can fail to fully capture the potential RM overoptimization. This underscores the inadequacy of relying solely on accuracy to reflect their impact on policy optimization.
Authors: Daoyu Wang, Mingyue Cheng, Zhiding Liu, Qi Liu, Enhong Chen
Abstract: Self-supervised learning has become a popular and effective approach for enhancing time series forecasting, enabling models to learn universal representations from unlabeled data. However, effectively capturing both the global sequence dependence and local detail features within time series data remains challenging. To address this, we propose a novel generative self-supervised method called TimeDART, denoting Diffusion Auto-regressive Transformer for Time series forecasting. In TimeDART, we treat time series patches as basic modeling units. Specifically, we employ an self-attention based Transformer encoder to model the dependencies of inter-patches. Additionally, we introduce diffusion and denoising mechanisms to capture the detail locality features of intra-patch. Notably, we design a cross-attention-based denoising decoder that allows for adjustable optimization difficulty in the self-supervised task, facilitating more effective self-supervised pre-training. Furthermore, the entire model is optimized in an auto-regressive manner to obtain transferable representations. Extensive experiments demonstrate that TimeDART achieves state-of-the-art fine-tuning performance compared to the most advanced competitive methods in forecasting tasks. Our code is publicly available at https://github.com/Melmaphother/TimeDART.
Authors: Thomas Schmied, Fabian Paischer, Vihang Patil, Markus Hofmarcher, Razvan Pascanu, Sepp Hochreiter
Abstract: In-context learning (ICL) is the ability of a model to learn a new task by observing a few exemplars in its context. While prevalent in NLP, this capability has recently also been observed in Reinforcement Learning (RL) settings. Prior in-context RL methods, however, require entire episodes in the agent's context. Given that complex environments typically lead to long episodes with sparse rewards, these methods are constrained to simple environments with short episodes. To address these challenges, we introduce Retrieval-Augmented Decision Transformer (RA-DT). RA-DT employs an external memory mechanism to store past experiences from which it retrieves only sub-trajectories relevant for the current situation. The retrieval component in RA-DT does not require training and can be entirely domain-agnostic. We evaluate the capabilities of RA-DT on grid-world environments, robotics simulations, and procedurally-generated video games. On grid-worlds, RA-DT outperforms baselines, while using only a fraction of their context length. Furthermore, we illuminate the limitations of current in-context RL methods on complex environments and discuss future directions. To facilitate future research, we release datasets for four of the considered environments.
Authors: Sanchayan Dutta (UC Davis), Suvrit Sra (TU Munich)
Abstract: We show that memory-augmented Transformers (Memformers) can implement linear first-order optimization methods such as conjugate gradient descent, momentum methods, and more generally, methods that linearly combine past gradients. Building on prior work that demonstrates how Transformers can simulate preconditioned gradient descent, we provide theoretical and empirical evidence that Memformers can learn more advanced optimization algorithms. Specifically, we analyze how memory registers in Memformers store suitable intermediate attention values allowing them to implement algorithms such as conjugate gradient. Our results show that Memformers can efficiently learn these methods by training on random linear regression tasks, even learning methods that outperform conjugate gradient. This work extends our knowledge about the algorithmic capabilities of Transformers, showing how they can learn complex optimization methods.
Authors: Allan dos Santos Costa, Ilan Mitnikov, Franco Pellegrini, Ameya Daigavane, Mario Geiger, Zhonglin Cao, Karsten Kreis, Tess Smidt, Emine Kucukbenli, Joseph Jacobson
Abstract: Mapping the conformational dynamics of proteins is crucial for elucidating their functional mechanisms. While Molecular Dynamics (MD) simulation enables detailed time evolution of protein motion, its computational toll hinders its use in practice. To address this challenge, multiple deep learning models for reproducing and accelerating MD have been proposed drawing on transport-based generative methods. However, existing work focuses on generation through transport of samples from prior distributions, that can often be distant from the data manifold. The recently proposed framework of stochastic interpolants, instead, enables transport between arbitrary distribution endpoints. Building upon this work, we introduce EquiJump, a transferable SO(3)-equivariant model that bridges all-atom protein dynamics simulation time steps directly. Our approach unifies diverse sampling methods and is benchmarked against existing models on trajectory data of fast folding proteins. EquiJump achieves state-of-the-art results on dynamics simulation with a transferable model on all of the fast folding proteins.
Authors: Hung-Yueh Chiang, Chi-Chih Chang, Natalia Frumkin, Kai-Chiang Wu, Diana Marculescu
Abstract: State Space Models (SSMs) have emerged as an appealing alternative to Transformers for large language models, achieving state-of-the-art accuracy with constant memory complexity which allows for holding longer context lengths than attention-based networks. The superior computational efficiency of SSMs in long sequence modeling positions them favorably over Transformers in many scenarios. However, improving the efficiency of SSMs on request-intensive cloud-serving and resource-limited edge applications is still a formidable task. SSM quantization is a possible solution to this problem, making SSMs more suitable for wide deployment, while still maintaining their accuracy. Quantization is a common technique to reduce the model size and to utilize the low bit-width acceleration features on modern computing units, yet existing quantization techniques are poorly suited for SSMs. Most notably, SSMs have highly sensitive feature maps within the selective scan mechanism (i.e., linear recurrence) and massive outliers in the output activations which are not present in the output of token-mixing in the self-attention modules. To address this issue, we propose a static 8-bit per-tensor SSM quantization method which suppresses the maximum values of the input activations to the selective SSM for finer quantization precision and quantizes the output activations in an outlier-free space with Hadamard transform. Our 8-bit weight-activation quantized Mamba 2.8B SSM benefits from hardware acceleration and achieves a 1.72x lower generation latency on an Nvidia Orin Nano 8G, with only a 0.9% drop in average accuracy on zero-shot tasks. The experiments demonstrate the effectiveness and practical applicability of our approach for deploying SSM-based models of all sizes on both cloud and edge platforms.
Authors: Jesus Garcia Fernandez, Nasir Ahmad, Marcel van Gerven
Abstract: Learning is a fundamental property of intelligent systems, observed across biological organisms and engineered systems. While modern intelligent systems typically rely on gradient descent for learning, the need for exact gradients and complex information flow makes its implementation in biological and neuromorphic systems challenging. This has motivated the exploration of alternative learning mechanisms that can operate locally and do not rely on exact gradients. In this work, we introduce a novel approach that leverages noise in the parameters of the system and global reinforcement signals. Using an Ornstein-Uhlenbeck process with adaptive dynamics, our method balances exploration and exploitation during learning, driven by deviations from error predictions, akin to reward prediction error. Operating in continuous time, Orstein-Uhlenbeck adaptation (OUA) is proposed as a general mechanism for learning dynamic, time-evolving environments. We validate our approach across diverse tasks, including supervised learning and reinforcement learning in feedforward and recurrent systems. Additionally, we demonstrate that it can perform meta-learning, adjusting hyper-parameters autonomously. Our results indicate that OUA provides a viable alternative to traditional gradient-based methods, with potential applications in neuromorphic computing. It also hints at a possible mechanism for noise-driven learning in the brain, where stochastic neurotransmitter release may guide synaptic adjustments.
Authors: Priyam Ganguly, Isha Mukherjee
Abstract: In retail sales forecasting, accurately predicting future sales is crucial for inventory management and strategic planning. Traditional methods like LR often fall short due to the complexity of sales data, which includes seasonality and numerous product families. Recent advancements in machine learning (ML) provide more robust alternatives. This research benefits from the power of ML, particularly Random Forest (RF), Gradient Boosting (GB), Support Vector Regression (SVR), and XGBoost, to improve prediction accuracy. Despite advancements, a significant gap exists in handling complex datasets with high seasonality and multiple product families. The proposed solution involves implementing and optimizing a RF model, leveraging hyperparameter tuning through randomized search cross-validation. This approach addresses the complexities of the dataset, capturing intricate patterns that traditional methods miss. The optimized RF model achieved an R-squared value of 0.945, substantially higher than the initial RF model and traditional LR, which had an R-squared of 0.531. The model reduced the root mean squared logarithmic error (RMSLE) to 1.172, demonstrating its superior predictive capability. The optimized RF model did better than cutting-edge models like Gradient Boosting (R-squared: 0.942), SVR (R-squared: 0.940), and XGBoost (R-squared: 0.939), with more minor mean squared error (MSE) and mean absolute error (MAE) numbers. The results demonstrate that the optimized RF model excels in forecasting retail sales, handling the datasets complexity with higher accuracy and reliability. This research highlights the importance of advanced ML techniques in predictive analytics, offering a significant improvement over traditional methods and other contemporary models.
Authors: Jessica Dai, Nika Haghtalab, Eric Zhao
Abstract: A canonical desideratum for prediction problems is that performance guarantees should hold not just on average over the population, but also for meaningful subpopulations within the overall population. But what constitutes a meaningful subpopulation? In this work, we take the perspective that relevant subpopulations should be defined with respect to the clusters that naturally emerge from the distribution of individuals for which predictions are being made. In this view, a population refers to a mixture model whose components constitute the relevant subpopulations. We suggest two formalisms for capturing per-subgroup guarantees: first, by attributing each individual to the component from which they were most likely drawn, given their features; and second, by attributing each individual to all components in proportion to their relative likelihood of having been drawn from each component. Using online calibration as a case study, we study a multi-objective algorithm that provides guarantees for each of these formalisms by handling all plausible underlying subpopulation structures simultaneously, and achieve an $O(T^{1/2})$ rate even when the subpopulations are not well-separated. In comparison, the more natural cluster-then-predict approach that first recovers the structure of the subpopulations and then makes predictions suffers from a $O(T^{2/3})$ rate and requires the subpopulations to be separable. Along the way, we prove that providing per-subgroup calibration guarantees for underlying clusters can be easier than learning the clusters: separation between median subgroup features is required for the latter but not the former.
Authors: Zirui Li, Patrick Wolf, Meng Wang
Abstract: Accurate arrival time prediction (ATP) of buses and trams plays a crucial role in public transport operations. Current methods focused on modeling one-dimensional temporal information but overlooked the latent periodic information within time series. Moreover, most studies developed algorithms for ATP based on a single or a few routes of public transport, which reduces the transferability of the prediction models and their applicability in public transport management systems. To this end, this paper proposes \textit{ArrivalNet}, a two-dimensional temporal variation-based multi-step ATP for buses and trams. It decomposes the one-dimensional temporal sequence into intra-periodic and inter-periodic variations, which can be recast into two-dimensional tensors (2D blocks). Each row of a tensor contains the time points within a period, and each column involves the time points at the same intra-periodic index across various periods. The transformed 2D blocks in different frequencies have an image-like feature representation that enables effective learning with computer vision backbones (e.g., convolutional neural network). Drawing on the concept of residual neural network, the 2D block module is designed as a basic module for flexible aggregation. Meanwhile, contextual factors like workdays, peak hours, and intersections, are also utilized in the augmented feature representation to improve the performance of prediction. 125 days of public transport data from Dresden were collected for model training and validation. Experimental results show that the root mean square error, mean absolute error, and mean absolute percentage error of the proposed predictor decrease by at least 6.1\%, 14.7\%, and 34.2\% compared with state-of-the-art baseline methods.
Authors: Saba Zerefa, Zhaolin Ren, Haitong Ma, Na Li
Abstract: In Bayesian optimization, a black-box function is maximized via the use of a surrogate model. We apply distributed Thompson sampling, using a Gaussian process as a surrogate model, to approach the multi-agent Bayesian optimization problem. In our distributed Thompson sampling implementation, each agent receives sampled points from neighbors, where the communication network is encoded in a graph; each agent utilizes their own Gaussian process to model the objective function. We demonstrate theoretical bounds on Bayesian simple regret and Bayesian average regret, where the bound depends on the structure of the communication graph. Unlike in batch Bayesian optimization, this bound is applicable in cases where the communication graph amongst agents is constrained. When compared to sequential single-agent Thompson sampling, our bound guarantees faster convergence with respect to time as long as the communication graph is connected. We confirm the efficacy of our algorithm with numerical simulations on traditional optimization test functions, illustrating the significance of graph connectivity on improving regret convergence.
Authors: Gathika Ratnayaka, James Nichols, Qing Wang
Abstract: Partial graph matching addresses the limitations of traditional graph matching by allowing some nodes to remain unmatched, making it applicable to more complex scenarios. However, this flexibility introduces additional complexity, as both the subset of nodes to match and the optimal mapping must be determined. While recent studies have explored deep learning techniques for partial graph matching, a significant limitation remains: the absence of an optimization objective that fully captures the problem's intrinsic nature while enabling efficient solutions. In this paper, we propose a novel optimization framework for partial graph matching, inspired by optimal partial transport. Our approach formulates an objective that enables partial assignments while incorporating matching biases, using weighted total variation as the divergence function to guarantee optimal partial assignments. We employ the Hungarian algorithm to achieve efficient, exact solutions with cubic time complexity. Our contributions are threefold: (i) we introduce a robust optimization objective that balances matched and unmatched nodes; (ii) we establish a connection between partial graph matching and the linear sum assignment problem, enabling efficient solutions; (iii) we propose a deep graph matching architecture with a novel partial matching loss, providing an end-to-end solution. The empirical evaluations on standard graph matching benchmarks demonstrate the efficacy of the proposed approach.
Authors: Bingcong Li, Liang Zhang, Aryan Mokhtari, Niao He
Abstract: This work revisits the classical low-rank matrix factorization problem and unveils the critical role of initialization in shaping convergence rates for such nonconvex and nonsmooth optimization. We introduce Nystrom initialization, which significantly improves the global convergence of Scaled Gradient Descent (ScaledGD) in both symmetric and asymmetric matrix factorization tasks. Specifically, we prove that ScaledGD with Nystrom initialization achieves quadratic convergence in cases where only linear rates were previously known. Furthermore, we extend this initialization to low-rank adapters (LoRA) commonly used for finetuning foundation models. Our approach, NoRA, i.e., LoRA with Nystrom initialization, demonstrates superior performance across various downstream tasks and model scales, from 1B to 7B parameters, in large language and diffusion models.
Authors: Peter Holderrieth, Marton Havasi, Jason Yim, Neta Shaul, Itai Gat, Tommi Jaakkola, Brian Karrer, Ricky T. Q. Chen, Yaron Lipman
Abstract: We introduce generator matching, a modality-agnostic framework for generative modeling using arbitrary Markov processes. Generators characterize the infinitesimal evolution of a Markov process, which we leverage for generative modeling in a similar vein to flow matching: we construct conditional generators which generate single data points, then learn to approximate the marginal generator which generates the full data distribution. We show that generator matching unifies various generative modeling methods, including diffusion models, flow matching and discrete diffusion models. Furthermore, it provides the foundation to expand the design space to new and unexplored Markov processes such as jump processes. Finally, generator matching enables the construction of superpositions of Markov generative processes and enables the construction of multimodal models in a rigorous manner. We empirically validate our method on protein and image structure generation, showing that superposition with a jump process improves image generation.
Authors: Wenxuan Li, Taiyi Wang, Eiko Yoneki
Abstract: Optimizing black-box functions in high-dimensional search spaces has been known to be challenging for traditional Bayesian Optimization (BO). In this paper, we introduce HiBO, a novel hierarchical algorithm integrating global-level search space partitioning information into the acquisition strategy of a local BO-based optimizer. HiBO employs a search-tree-based global-level navigator to adaptively split the search space into partitions with different sampling potential. The local optimizer then utilizes this global-level information to guide its acquisition strategy towards most promising regions within the search space. A comprehensive set of evaluations demonstrates that HiBO outperforms state-of-the-art methods in high-dimensional synthetic benchmarks and presents significant practical effectiveness in the real-world task of tuning configurations of database management systems (DBMSs).
Authors: Xinke Jiang, Rihong Qiu, Yongxin Xu, Wentao Zhang, Yichen Zhu, Ruizhe Zhang, Yuchen Fang, Xu Chu, Junfeng Zhao, Yasha Wang
Abstract: Graph Neural Networks (GNNs) have become essential in interpreting relational data across various domains, yet, they often struggle to generalize to unseen graph data that differs markedly from training instances. In this paper, we introduce a novel framework called General Retrieval-Augmented Graph Learning (RAGraph), which brings external graph data into the general graph foundation model to improve model generalization on unseen scenarios. On the top of our framework is a toy graph vector library that we established, which captures key attributes, such as features and task-specific label information. During inference, the RAGraph adeptly retrieves similar toy graphs based on key similarities in downstream tasks, integrating the retrieved data to enrich the learning context via the message-passing prompting mechanism. Our extensive experimental evaluations demonstrate that RAGraph significantly outperforms state-of-the-art graph learning methods in multiple tasks such as node classification, link prediction, and graph classification across both dynamic and static datasets. Furthermore, extensive testing confirms that RAGraph consistently maintains high performance without the need for task-specific fine-tuning, highlighting its adaptability, robustness, and broad applicability.
Authors: Quentin Guilhot, Micha{\l} W\'ojcik, Jascha Achterberg, Rui Ponte Costa
Abstract: Methods for analyzing representations in neural systems have become a popular tool in both neuroscience and mechanistic interpretability. Having measures to compare how similar activations of neurons are across conditions, architectures, and species, gives us a scalable way of learning how information is transformed within different neural networks. In contrast to this trend, recent investigations have revealed how some metrics can respond to spurious signals and hence give misleading results. To identify the most reliable metric and understand how measures could be improved, it is going to be important to identify specific test cases which can serve as benchmarks. Here we propose that the phenomena of compositional learning in recurrent neural networks (RNNs) allows us to build a test case for dynamical representation alignment metrics. By implementing this case, we show it enables us to test whether metrics can identify representations which gradually develop throughout learning and probe whether representations identified by metrics are relevant to computations executed by networks. By building both an attractor- and RNN-based test case, we show that the new Dynamical Similarity Analysis (DSA) is more noise robust and identifies behaviorally relevant representations more reliably than prior metrics (Procrustes, CKA). We also show how test cases can be used beyond evaluating metrics to study new architectures. Specifically, results from applying DSA to modern (Mamba) state space models, suggest that, in contrast to RNNs, these models may not exhibit changes to their recurrent dynamics due to their expressiveness. Overall, by developing test cases, we show DSA's exceptional ability to detect compositional dynamical motifs, thereby enhancing our understanding of how computations unfold in RNNs.
Authors: Shihong Song, Guanlin Mo, Qingyuan Yang, Hu Ding
Abstract: The fairness of clustering algorithms has gained widespread attention across various areas, including machine learning, In this paper, we study fair $k$-means clustering in Euclidean space. Given a dataset comprising several groups, the fairness constraint requires that each cluster should contain a proportion of points from each group within specified lower and upper bounds. Due to these fairness constraints, determining the optimal locations of $k$ centers is a quite challenging task. We propose a novel ``Relax and Merge'' framework that returns a $(1+4\rho + O(\epsilon))$-approximate solution, where $\rho$ is the approximate ratio of an off-the-shelf vanilla $k$-means algorithm and $O(\epsilon)$ can be an arbitrarily small positive number. If equipped with a PTAS of $k$-means, our solution can achieve an approximation ratio of $(5+O(\epsilon))$ with only a slight violation of the fairness constraints, which improves the current state-of-the-art approximation guarantee. Furthermore, using our framework, we can also obtain a $(1+4\rho +O(\epsilon))$-approximate solution for the $k$-sparse Wasserstein Barycenter problem, which is a fundamental optimization problem in the field of optimal transport, and a $(2+6\rho)$-approximate solution for the strictly fair $k$-means clustering with no violation, both of which are better than the current state-of-the-art methods. In addition, the empirical results demonstrate that our proposed algorithm can significantly outperform baseline approaches in terms of clustering cost.
Authors: Andrea Protani, Lorenzo Giusti, Albert Sund Aillet, Chiara Iacovelli, Giuseppe Reale, Simona Sacco, Paolo Manganotti, Lucio Marinelli, Diogo Reis Santos, Pierpaolo Brutti, Pietro Caliandro, Luigi Serio
Abstract: Machine learning (ML) has the potential to become an essential tool in supporting clinical decision-making processes, offering enhanced diagnostic capabilities and personalized treatment plans. However, outsourcing medical records to train ML models using patient data raises legal, privacy, and security concerns. Federated learning has emerged as a promising paradigm for collaborative ML, meeting healthcare institutions' requirements for robust models without sharing sensitive data and compromising patient privacy. This study proposes a novel method that combines federated learning (FL) and Graph Neural Networks (GNNs) to predict stroke severity using electroencephalography (EEG) signals across multiple medical institutions. Our approach enables multiple hospitals to jointly train a shared GNN model on their local EEG data without exchanging patient information. Specifically, we address a regression problem by predicting the National Institutes of Health Stroke Scale (NIHSS), a key indicator of stroke severity. The proposed model leverages a masked self-attention mechanism to capture salient brain connectivity patterns and employs EdgeSHAP to provide post-hoc explanations of the neurological states after a stroke. We evaluated our method on EEG recordings from four institutions, achieving a mean absolute error (MAE) of 3.23 in predicting NIHSS, close to the average error made by human experts (MAE $\approx$ 3.0). This demonstrates the method's effectiveness in providing accurate and explainable predictions while maintaining data privacy.
Authors: Guan Zhe Hong, Nishanth Dikkala, Enming Luo, Cyrus Rashtchian, Xin Wang, Rina Panigrahy
Abstract: Large language models (LLMs) have shown amazing performance on tasks that require planning and reasoning. Motivated by this, we investigate the internal mechanisms that underpin a network's ability to perform complex logical reasoning. We first construct a synthetic propositional logic problem that serves as a concrete test-bed for network training and evaluation. Crucially, this problem demands nontrivial planning to solve. We perform our study on two fronts. First, we pursue an understanding of precisely how a three-layer transformer, trained from scratch and attains perfect test accuracy, solves this problem. We are able to identify certain "planning" and "reasoning" mechanisms in the network that necessitate cooperation between the attention blocks to implement the desired logic. Second, we study how pretrained LLMs, namely Mistral-7B and Gemma-2-9B, solve this problem. We characterize their reasoning circuits through causal intervention experiments, providing necessity and sufficiency evidence for the circuits. We find evidence suggesting that the two models' latent reasoning strategies are surprisingly similar, and human-like. Overall, our work systemically uncovers novel aspects of small and large transformers, and continues the study of how they plan and reason.
Authors: Sajal Regmi, Chetan Phakami Pun
Abstract: Large Language Models (LLMs), such as GPT, have revolutionized artificial intelligence by enabling nuanced understanding and generation of human-like text across a wide range of applications. However, the high computational and financial costs associated with frequent API calls to these models present a substantial bottleneck, especially for applications like customer service chatbots that handle repetitive queries. In this paper, we introduce GPT Semantic Cache, a method that leverages semantic caching of query embeddings in in-memory storage (Redis). By storing embeddings of user queries, our approach efficiently identifies semantically similar questions, allowing for the retrieval of pre-generated responses without redundant API calls to the LLM. This technique achieves a notable reduction in operational costs while significantly enhancing response times, making it a robust solution for optimizing LLM-powered applications. Our experiments demonstrate that GPT Semantic Cache reduces API calls by up to 68.8% across various query categories, with cache hit rates ranging from 61.6% to 68.8%. Additionally, the system achieves high accuracy, with positive hit rates exceeding 97%, confirming the reliability of cached responses. This technique not only reduces operational costs, but also improves response times, enhancing the efficiency of LLM-powered applications.
Authors: Xiangyu Zhao, Zhiwang Zhou, Wenlong Zhang, Yihao Liu, Xiangyu Chen, Junchao Gong, Hao Chen, Ben Fei, Shiqi Chen, Wanli Ouyang, Xiao-Ming Wu, Lei Bai
Abstract: The Earth's weather system encompasses intricate weather data modalities and diverse weather understanding tasks, which hold significant value to human life. Existing data-driven models focus on single weather understanding tasks (e.g., weather forecasting). Although these models have achieved promising results, they fail to tackle various complex tasks within a single and unified model. Moreover, the paradigm that relies on limited real observations for a single scenario hinders the model's performance upper bound. In response to these limitations, we draw inspiration from the in-context learning paradigm employed in state-of-the-art visual foundation models and large language models. In this paper, we introduce the first generalist weather foundation model (WeatherGFM), designed to address a wide spectrum of weather understanding tasks in a unified manner. More specifically, we initially unify the representation and definition of the diverse weather understanding tasks. Subsequently, we devised weather prompt formats to manage different weather data modalities, namely single, multiple, and temporal modalities. Finally, we adopt a visual prompting question-answering paradigm for the training of unified weather understanding tasks. Extensive experiments indicate that our WeatherGFM can effectively handle up to ten weather understanding tasks, including weather forecasting, super-resolution, weather image translation, and post-processing. Our method also showcases generalization ability on unseen tasks.
Authors: Konstantinos Kontras, Thomas Strypsteen, Christos Chatzichristos, Paul Pu Liang, Matthew Blaschko, Maarten De Vos
Abstract: Multimodal learning can complete the picture of information extraction by uncovering key dependencies between data sources. However, current systems fail to fully leverage multiple modalities for optimal performance. This has been attributed to modality competition, where modalities strive for training resources, leaving some underoptimized. We show that current balancing methods struggle to train multimodal models that surpass even simple baselines, such as ensembles. This raises the question: how can we ensure that all modalities in multimodal training are sufficiently trained, and that learning from new modalities consistently improves performance? This paper proposes the Multimodal Competition Regularizer (MCR), a new loss component inspired by mutual information (MI) decomposition designed to prevent the adverse effects of competition in multimodal training. Our key contributions are: 1) Introducing game-theoretic principles in multimodal learning, where each modality acts as a player competing to maximize its influence on the final outcome, enabling automatic balancing of the MI terms. 2) Refining lower and upper bounds for each MI term to enhance the extraction of task-relevant unique and shared information across modalities. 3) Suggesting latent space permutations for conditional MI estimation, significantly improving computational efficiency. MCR outperforms all previously suggested training strategies and is the first to consistently improve multimodal learning beyond the ensemble baseline, clearly demonstrating that combining modalities leads to significant performance gains on both synthetic and large real-world datasets.
Authors: Elliott Abel, Andrew J. Steindl, Selma Mazioud, Ellie Schueler, Folu Ogundipe, Ellen Zhang, Yvan Grinspan, Kristof Reimann, Peyton Crevasse, Dhananjay Bhaskar, Siddharth Viswanath, Yanlei Zhang, Tim G. J. Rudner, Ian Adelstein, Smita Krishnaswamy
Abstract: Drawing motivation from the manifold hypothesis, which posits that most high-dimensional data lies on or near low-dimensional manifolds, we apply manifold learning to the space of neural networks. We learn manifolds where datapoints are neural networks by introducing a distance between the hidden layer representations of the neural networks. These distances are then fed to the non-linear dimensionality reduction algorithm PHATE to create a manifold of neural networks. We characterize this manifold using features of the representation, including class separation, hierarchical cluster structure, spectral entropy, and topological structure. Our analysis reveals that high-performing networks cluster together in the manifold, displaying consistent embedding patterns across all these features. Finally, we demonstrate the utility of this approach for guiding hyperparameter optimization and neural architecture search by sampling from the manifold.
Authors: Zihan Zhang, Jason D. Lee, Simon S. Du, Yuxin Chen
Abstract: This work investigates stepsize-based acceleration of gradient descent with {\em anytime} convergence guarantees. For smooth (non-strongly) convex optimization, we propose a stepsize schedule that allows gradient descent to achieve convergence guarantees of $O(T^{-1.119})$ for any stopping time $T$, where the stepsize schedule is predetermined without prior knowledge of the stopping time. This result provides an affirmative answer to a COLT open problem \citep{kornowski2024open} regarding whether stepsize-based acceleration can yield anytime convergence rates of $o(T^{-1})$. We further extend our theory to yield anytime convergence guarantees of $\exp(-\Omega(T/\kappa^{0.893}))$ for smooth and strongly convex optimization, with $\kappa$ being the condition number.
Authors: Akhiad Bercovich, Tomer Ronen, Talor Abramovich, Nir Ailon, Nave Assaf, Mohammad Dabbah, Ido Galil, Amnon Geifman, Yonatan Geifman, Izhak Golan, Netanel Haber, Ehud Karpas, Roi Koren, Itay Levy, Pavlo Molchanov, Shahar Mor, Zach Moshe, Najeeb Nabwani, Omri Puny, Ran Rubin, Itamar Schen, Ido Shahaf, Oren Tropp, Omer Ullman Argov, Ran Zilberstein, Ran El-Yaniv
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities, but their adoption is limited by high computational costs during inference. While increasing parameter counts enhances accuracy, it also widens the gap between state-of-the-art capabilities and practical deployability. We present Puzzle, a framework to accelerate LLM inference on specific hardware while preserving their capabilities. Through an innovative application of neural architecture search (NAS) at an unprecedented scale, Puzzle systematically optimizes models with tens of billions of parameters under hardware constraints. Our approach utilizes blockwise local knowledge distillation (BLD) for parallel architecture exploration and employs mixed-integer programming for precise constraint optimization. We demonstrate the real-world impact of our framework through Llama-3.1-Nemotron-51B-Instruct (Nemotron-51B), a publicly available model derived from Llama-3.1-70B-Instruct. Nemotron-51B achieves a 2.17x inference throughput speedup, fitting on a single NVIDIA H100 GPU while preserving 98.4% of the original model's capabilities. Nemotron-51B currently stands as the most accurate language model capable of inference on a single GPU with large batch sizes. Remarkably, this transformation required just 45B training tokens, compared to over 15T tokens used for the 70B model it was derived from. This establishes a new paradigm where powerful models can be optimized for efficient deployment with only negligible compromise of their capabilities, demonstrating that inference performance, not parameter count alone, should guide model selection. With the release of Nemotron-51B and the presentation of the Puzzle framework, we provide practitioners immediate access to state-of-the-art language modeling capabilities at significantly reduced computational costs.
Authors: Jiani Yan, Charles Rahal
Abstract: This short Correspondence critiques the classic dichotomization of prediction error into reducible and irreducible components, noting that certain types of error can be eliminated at differential speeds. We propose an improved analytical framework that better distinguishes epistemic from aleatoric uncertainty, emphasizing that predictability depends on information sets and cautioning against premature claims of unpredictability.
Authors: Abhinav Das, Stephan Schl\"uter, Lorenz Schneider
Abstract: This paper presents a new hybrid model for predicting German electricity prices. The algorithm is based on combining Gaussian Process Regression (GPR) and Support Vector Regression (SVR). While GPR is a competent model for learning the stochastic pattern within the data and interpolation, its performance for out-of-sample data is not very promising. By choosing a suitable data-dependent covariance function, we can enhance the performance of GPR for the tested German hourly power prices. However, since the out-of-sample prediction depends on the training data, the prediction is vulnerable to noise and outliers. To overcome this issue, a separate prediction is made using SVR, which applies margin-based optimization, having an advantage in dealing with non-linear processes and outliers, since only certain necessary points (support vectors) in the training data are responsible for regression. Both individual predictions are later combined using the performance-based weight assignment method. A test on historic German power prices shows that this approach outperforms its chosen benchmarks such as the autoregressive exogenous model, the naive approach, as well as the long short-term memory approach of prediction.
Authors: Leonid Kotyuzanskiy, Artem Klimov
Abstract: The transformer architecture has become an integral part of the field of modern neural networks, playing a crucial role in a variety of tasks, such as text generation, machine translation, image and audio processing, among others. There is also an alternative approach to building intelligent systems, proposed by Jeff Hawkins and inspired by the processes occurring in the neocortex. In our article we want to combine some of these ideas and to propose the use of homeostasis mechanisms, such as RFB-kWTA and "Smart" Inhibition, in the attention mechanism of the transformer and at the output of the transformer block, as well as conducting an experiment involving the introduction of sparse distributed representations of the transformer at various points. RFB-kWTA utilizes statistics of layer activations across time to adjust the entire layer, enhancing the values of rare activations while reducing those of frequent ones. "Smart" Inhibition also uses activation statistics to sample sparsity masks, with rarer activation times are more likely to be activated. Our proposed mechanisms significantly outperform the classical transformer 0.2768 BLEU and a model that only makes use of dropout in the attention mechanism and output of the transformer block 0.3007 BLEU, achieving a score of 0.3062 on the Multi30K dataset.
Authors: Varshita Kolipaka, Akshit Sinha, Debangan Mishra, Sumit Kumar, Arvindh Arun, Shashwat Goel, Ponnurangam Kumaraguru
Abstract: Graph Neural Networks (GNNs) are increasingly being used for a variety of ML applications on graph data. Because graph data does not follow the independently and identically distributed (i.i.d.) assumption, adversarial manipulations or incorrect data can propagate to other data points through message passing, which deteriorates the model's performance. To allow model developers to remove the adverse effects of manipulated entities from a trained GNN, we study the recently formulated problem of Corrective Unlearning. We find that current graph unlearning methods fail to unlearn the effect of manipulations even when the whole manipulated set is known. We introduce a new graph unlearning method, Cognac, which can unlearn the effect of the manipulation set even when only 5% of it is identified. It recovers most of the performance of a strong oracle with fully corrected training data, even beating retraining from scratch without the deletion set while being 8x more efficient. We hope our work assists GNN developers in mitigating harmful effects caused by issues in real-world data post-training. Our code is publicly available at https://github.com/varshitakolipaka/corrective-unlearning-for-gnns
URLs: https://github.com/varshitakolipaka/corrective-unlearning-for-gnns
Authors: Weiche Hsieh, Ziqian Bi, Chuanqi Jiang, Junyu Liu, Benji Peng, Sen Zhang, Xuanhe Pan, Jiawei Xu, Jinlang Wang, Keyu Chen, Pohsun Feng, Yizhu Wen, Xinyuan Song, Tianyang Wang, Ming Liu, Junjie Yang, Ming Li, Bowen Jing, Jintao Ren, Junhao Song, Hong-Ming Tseng, Yichao Zhang, Lawrence K. Q. Yan, Qian Niu, Silin Chen, Yunze Wang, Chia Xin Liang
Abstract: Explainable Artificial Intelligence (XAI) addresses the growing need for transparency and interpretability in AI systems, enabling trust and accountability in decision-making processes. This book offers a comprehensive guide to XAI, bridging foundational concepts with advanced methodologies. It explores interpretability in traditional models such as Decision Trees, Linear Regression, and Support Vector Machines, alongside the challenges of explaining deep learning architectures like CNNs, RNNs, and Large Language Models (LLMs), including BERT, GPT, and T5. The book presents practical techniques such as SHAP, LIME, Grad-CAM, counterfactual explanations, and causal inference, supported by Python code examples for real-world applications. Case studies illustrate XAI's role in healthcare, finance, and policymaking, demonstrating its impact on fairness and decision support. The book also covers evaluation metrics for explanation quality, an overview of cutting-edge XAI tools and frameworks, and emerging research directions, such as interpretability in federated learning and ethical AI considerations. Designed for a broad audience, this resource equips readers with the theoretical insights and practical skills needed to master XAI. Hands-on examples and additional resources are available at the companion GitHub repository: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.
URLs: https://github.com/Echoslayer/XAI_From_Classical_Models_to_LLMs.
Authors: Jan Pablo Burgard, Jo\~ao Vitor Pamplona
Abstract: In this paper, we propose FairML.jl, a Julia package providing a framework for fair classification in machine learning. In this framework, the fair learning process is divided into three stages. Each stage aims to reduce unfairness, such as disparate impact and disparate mistreatment, in the final prediction. For the preprocessing stage, we present a resampling method that addresses unfairness coming from data imbalances. The in-processing phase consist of a classification method. This can be either one coming from the MLJ.jl package, or a user defined one. For this phase, we incorporate fair ML methods that can handle unfairness to a certain degree through their optimization process. In the post-processing, we discuss the choice of the cut-off value for fair prediction. With simulations, we show the performance of the single phases and their combinations.
Authors: David Zollikofer, B\'eni Egressy, Frederik Benzing, Matthias Otth, Roger Wattenhofer
Abstract: Several self-supervised learning (SSL) approaches have shown that redundancy reduction in the feature embedding space is an effective tool for representation learning. However, these methods consider a narrow notion of redundancy, focusing on pairwise correlations between features. To address this limitation, we formalize the notion of embedding space redundancy and introduce redundancy measures that capture more complex, higher-order dependencies. We mathematically analyze the relationships between these metrics, and empirically measure these redundancies in the embedding spaces of common SSL methods. Based on our findings, we propose Self Supervised Learning with Predictability Minimization (SSLPM) as a method for reducing redundancy in the embedding space. SSLPM combines an encoder network with a predictor engaging in a competitive game of reducing and exploiting dependencies respectively. We demonstrate that SSLPM is competitive with state-of-the-art methods and find that the best performing SSL methods exhibit low embedding space redundancy, suggesting that even methods without explicit redundancy reduction mechanisms perform redundancy reduction implicitly.
Authors: Yao Lyu, Xiangteng Zhang, Shengbo Eben Li, Jingliang Duan, Letian Tao, Qing Xu, Lei He, Keqiang Li
Abstract: Training deep reinforcement learning (RL) agents necessitates overcoming the highly unstable nonconvex stochastic optimization inherent in the trial-and-error mechanism. To tackle this challenge, we propose a physics-inspired optimization algorithm called relativistic adaptive gradient descent (RAD), which enhances long-term training stability. By conceptualizing neural network (NN) training as the evolution of a conformal Hamiltonian system, we present a universal framework for transferring long-term stability from conformal symplectic integrators to iterative NN updating rules, where the choice of kinetic energy governs the dynamical properties of resulting optimization algorithms. By utilizing relativistic kinetic energy, RAD incorporates principles from special relativity and limits parameter updates below a finite speed, effectively mitigating abnormal gradient influences. Additionally, RAD models NN optimization as the evolution of a multi-particle system where each trainable parameter acts as an independent particle with an individual adaptive learning rate. We prove RAD's sublinear convergence under general nonconvex settings, where smaller gradient variance and larger batch sizes contribute to tighter convergence. Notably, RAD degrades to the well-known adaptive moment estimation (ADAM) algorithm when its speed coefficient is chosen as one and symplectic factor as a small positive value. Experimental results show RAD outperforming nine baseline optimizers with five RL algorithms across twelve environments, including standard benchmarks and challenging scenarios. Notably, RAD achieves up to a 155.1% performance improvement over ADAM in Atari games, showcasing its efficacy in stabilizing and accelerating RL training.
Authors: Nanyang Ye, Qiao Sun, Yifei Wang, Liujia Yang, Jundong Zhou, Lei Wang, Guang-Zhong Yang, Xinbing Wang, Chenghu Zhou, Wei Ren, Leilei Gu, Huaqiang Wu, Qinying Gu
Abstract: Analog computing using non-volatile memristors has emerged as a promising solution for energy-efficient deep learning. New materials, like perovskites-based memristors are recently attractive due to their cost-effectiveness, energy efficiency and flexibility. Yet, challenges in material diversity and immature fabrications require extensive experimentation for device development. Moreover, significant non-idealities in these memristors often impede them for computing. Here, we propose a synergistic methodology to concurrently optimize perovskite memristor fabrication and develop robust analog DNNs that effectively address the inherent non-idealities of these memristors. Employing Bayesian optimization (BO) with a focus on usability, we efficiently identify optimal materials and fabrication conditions for perovskite memristors. Meanwhile, we developed "BayesMulti", a DNN training strategy utilizing BO-guided noise injection to improve the resistance of analog DNNs to memristor imperfections. Our approach theoretically ensures that within a certain range of parameter perturbations due to memristor non-idealities, the prediction outcomes remain consistent. Our integrated approach enables use of analog computing in much deeper and wider networks, which significantly outperforms existing methods in diverse tasks like image classification, autonomous driving, species identification, and large vision-language models, achieving up to 100-fold improvements. We further validate our methodology on a 10$\times$10 optimized perovskite memristor crossbar, demonstrating high accuracy in a classification task and low energy consumption. This study offers a versatile solution for efficient optimization of various analog computing systems, encompassing both devices and algorithms.
Authors: Zeel B Patel, Rishabh Mondal, Shataxi Dubey, Suraj Jaiswal, Sarath Guttikunda, Nipun Batra
Abstract: Air pollution kills 7 million people annually. The brick kiln sector significantly contributes to economic development but also accounts for 8-14\% of air pollution in India. Policymakers have implemented compliance measures to regulate brick kilns. Emission inventories are critical for air quality modeling and source apportionment studies. However, the largely unorganized nature of the brick kiln sector necessitates labor-intensive survey efforts for monitoring. Recent efforts by air quality researchers have relied on manual annotation of brick kilns using satellite imagery to build emission inventories, but this approach lacks scalability. Machine-learning-based object detection methods have shown promise for detecting brick kilns; however, previous studies often rely on costly high-resolution imagery and fail to integrate with governmental policies. In this work, we developed a scalable machine-learning pipeline that detected and classified 30638 brick kilns across five states in the Indo-Gangetic Plain using free, moderate-resolution satellite imagery from Planet Labs. Our detections have a high correlation with on-ground surveys. We performed automated compliance analysis based on government policies. In the Delhi airshed, stricter policy enforcement has led to the adoption of efficient brick kiln technologies. This study highlights the need for inclusive policies that balance environmental sustainability with the livelihoods of workers.
Authors: Mingcheng Qu, Yuncong Wu, Donglin Di, Anyang Su, Tonghua Su, Yang Song, Lei Fan
Abstract: Spatial transcriptomics (ST) has emerged as an advanced technology that provides spatial context to gene expression. Recently, deep learning-based methods have shown the capability to predict gene expression from WSI data using ST data. Existing approaches typically extract features from images and the neighboring regions using pretrained models, and then develop methods to fuse this information to generate the final output. However, these methods often fail to account for the cellular structure similarity, cellular density and the interactions within the microenvironment. In this paper, we propose a framework named BG-TRIPLEX, which leverages boundary information extracted from pathological images as guiding features to enhance gene expression prediction from WSIs. Specifically, our model consists of three branches: the spot, in-context and global branches. In the spot and in-context branches, boundary information, including edge and nuclei characteristics, is extracted using pretrained models. These boundary features guide the learning of cellular morphology and the characteristics of microenvironment through Multi-Head Cross-Attention. Finally, these features are integrated with global features to predict the final output. Extensive experiments were conducted on three public ST datasets. The results demonstrate that our BG-TRIPLEX consistently outperforms existing methods in terms of Pearson Correlation Coefficient (PCC). This method highlights the crucial role of boundary features in understanding the complex interactions between WSI and gene expression, offering a promising direction for future research.
Authors: Runsheng Bai, Bo Liu, Qiang Liu
Abstract: Large Language Models (LLMs) exhibit impressive performance across various tasks, but deploying them for inference poses challenges. Their high resource demands often necessitate complex, costly multi-GPU pipelines, or the use of smaller, less capable models. While quantization offers a promising solution utilizing lower precision for model storage, existing methods frequently experience significant performance drops at lower precision levels. Additionally, they typically provide only a limited set of solutions at specific bit levels, many of which are extensively manually tuned. To address these challenges, we propose a new method called SKIM: Scaled K-means clustering wIth Mixed precision. Our approach introduces two novel techniques: 1. A greedy algorithm to solve approximately optimal bit allocation across weight channels, and 2. A trainable scaling vector for non-differentiable K-means clustering. These techniques substantially improve performance and can be adapted to any given bit. Notably, in terms of model perplexity, our method narrows the gap between 3-bit quantized LLaMA models and their full precision counterparts by 16.3% on average.
Authors: Anshul Thakur, Yichen Huang, Soheila Molaei, Yujiang Wang, David A. Clifton
Abstract: Shared training approaches, such as multi-task learning (MTL) and gradient-based meta-learning, are widely used in various machine learning applications, but they often suffer from negative transfer, leading to performance degradation in specific tasks. While several optimisation techniques have been developed to mitigate this issue for pre-selected task cohorts, identifying optimal task combinations for joint learning - known as task grouping - remains underexplored and computationally challenging due to the exponential growth in task combinations and the need for extensive training and evaluation cycles. This paper introduces an efficient task grouping framework designed to reduce these overwhelming computational demands of the existing methods. The proposed framework infers pairwise task similarities through a sample-wise optimisation landscape analysis, eliminating the need for the shared model training required to infer task similarities in existing methods. With task similarities acquired, a graph-based clustering algorithm is employed to pinpoint near-optimal task groups, providing an approximate yet efficient and effective solution to the originally NP-hard problem. Empirical assessments conducted on 8 different datasets highlight the effectiveness of the proposed framework, revealing a five-fold speed enhancement compared to previous state-of-the-art methods. Moreover, the framework consistently demonstrates comparable performance, confirming its remarkable efficiency and effectiveness in task grouping.
Authors: Cade Gordon, Aniruddh Raghu, Peyton Greenside, Hunter Elliott
Abstract: Antibody therapies have been employed to address some of today's most challenging diseases, but must meet many criteria during drug development before reaching a patient. Humanization is a sequence optimization strategy that addresses one critical risk called immunogenicity - a patient's immune response to the drug - by making an antibody more "human-like" in the absence of a predictive lab-based test for immunogenicity. However, existing humanization strategies generally yield very few humanized candidates, which may have degraded biophysical properties or decreased drug efficacy. Here, we re-frame humanization as a conditional generative modeling task, where humanizing mutations are sampled from a language model trained on human antibody data. We describe a sampling process that incorporates models of therapeutic attributes, such as antigen binding affinity, to obtain candidate sequences that have both reduced immunogenicity risk and maintained or improved therapeutic properties, allowing this algorithm to be readily embedded into an iterative antibody optimization campaign. We demonstrate in silico and in lab validation that in real therapeutic programs our generative humanization method produces diverse sets of antibodies that are both (1) highly-human and (2) have favorable therapeutic properties, such as improved binding to target antigens.
Authors: Hanqing Zhu, Zhenyu Zhang, Wenyan Cong, Xi Liu, Sem Park, Vikas Chandra, Bo Long, David Z. Pan, Zhangyang Wang, Jinwon Lee
Abstract: Large language models (LLMs) are notoriously memory-intensive during training, particularly with the popular AdamW optimizer. This memory burden necessitates using more or higher-end GPUs or reducing batch sizes, limiting training scalability and throughput. To address this, various memory-efficient optimizers have been proposed to reduce optimizer memory usage. However, they face critical challenges: (i) reliance on costly SVD operations; (ii) significant performance trade-offs compared to AdamW; and (iii) still substantial optimizer memory overhead to maintain competitive performance. In this work, we identify that AdamW's learning rate adaptation rule can be effectively coarsened as a structured learning rate update. Based on this insight, we propose Approximated Gradient Scaling for Memory-Efficient LLM Optimization (APOLLO), which approximates learning rate scaling using an auxiliary low-rank optimizer state based on pure random projection. This structured learning rate update rule makes APOLLO highly tolerant to further memory reductions while delivering comparable pre-training performance. Even its rank-1 variant, APOLLO-Mini, achieves superior pre-training performance compared to AdamW with SGD-level memory costs. Extensive experiments demonstrate that the APOLLO series performs on-par with or better than AdamW, while achieving greater memory savings by nearly eliminating the optimization states of AdamW. These savings provide significant system-level benefits: (1) Enhanced Throughput: 3x throughput on an 8xA100-80GB setup compared to AdamW by supporting 4x larger batch sizes. (2) Improved Model Scalability: Pre-training LLaMA-13B with naive DDP on A100-80GB GPUs without system-level optimizations. (3) Low-End GPU Friendly Pre-training: Pre-training LLaMA-7B on a single GPU using less than 12 GB of memory with weight quantization.
Authors: Reuben Adams, John Shawe-Taylor, Benjamin Guedj
Abstract: Current PAC-Bayes generalisation bounds are restricted to scalar metrics of performance, such as the loss or error rate. However, one ideally wants more information-rich certificates that control the entire distribution of possible outcomes, such as the distribution of the test loss in regression, or the probabilities of different mis-classifications. We provide the first PAC-Bayes bound capable of providing such rich information by bounding the Kullback-Leibler divergence between the empirical and true probabilities of a set of $M$ error types, which can either be discretized loss values for regression, or the elements of the confusion matrix (or a partition thereof) for classification. We transform our bound into a differentiable training objective. Our bound is especially useful in cases where the severity of different mis-classifications may change over time; existing PAC-Bayes bounds can only bound a particular pre-decided weighting of the error types. In contrast our bound implicitly controls all uncountably many weightings simultaneously.
Authors: Ashesh Chattopadhyay, Y. Qiang Sun, Pedram Hassanzadeh
Abstract: Long-term stability and physical consistency are critical properties for AI-based weather models if they are going to be used for subseasonal-to-seasonal forecasts or beyond, e.g., climate change projection. However, current AI-based weather models can only provide short-term forecasts accurately since they become unstable or physically inconsistent when time-integrated beyond a few weeks or a few months. Either they exhibit numerical blow-up or hallucinate unrealistic dynamics of the atmospheric variables, akin to the current class of autoregressive large language models. The cause of the instabilities is unknown, and the methods that are used to improve their stability horizons are ad-hoc and lack rigorous theory. In this paper, we reveal that the universal causal mechanism for these instabilities in any turbulent flow is due to \textit{spectral bias} wherein, \textit{any} deep learning architecture is biased to learn only the large-scale dynamics and ignores the small scales completely. We further elucidate how turbulence physics and the absence of convergence in deep learning-based time-integrators amplify this bias, leading to unstable error propagation. Finally, using the quasi-geostrophic flow and European Center for Medium-Range Weather Forecasting (ECMWF) Reanalysis data as test cases, we bridge the gap between deep learning theory and numerical analysis to propose one mitigative solution to such unphysical behavior. We develop long-term physically-consistent data-driven models for the climate system and demonstrate accurate short-term forecasts, and hundreds of years of time-integration with accurate mean and variability.
Authors: Roi Peleg, Yair Smadar, Teddy Lazebnik, Assaf Hoogi
Abstract: The performance of deep learning models is critically dependent on sophisticated optimization strategies. While existing optimizers have shown promising results, many rely on first-order Exponential Moving Average (EMA) techniques, which often limit their ability to track complex gradient trends accurately. This fact can lead to a significant lag in trend identification and suboptimal optimization, particularly in highly dynamic gradient behavior. To address this fundamental limitation, we introduce Fast Adaptive Moment Estimation (FAME), a novel optimization technique that leverages the power of Triple Exponential Moving Average. By incorporating an advanced tracking mechanism, FAME enhances responsiveness to data dynamics, mitigates trend identification lag, and optimizes learning efficiency. Our comprehensive evaluation encompasses different computer vision tasks including image classification, object detection, and semantic segmentation, integrating FAME into 30 distinct architectures ranging from lightweight CNNs to Vision Transformers. Through rigorous benchmarking against state-of-the-art optimizers, FAME demonstrates superior accuracy and robustness. Notably, it offers high scalability, delivering substantial improvements across diverse model complexities, architectures, tasks, and benchmarks.
Authors: Kai Shu, Le Wu, Yuchang Zhao, Aiping Liu, Ruobing Qian, Xun Chen
Abstract: Data augmentation (DA) can significantly strengthen the electroencephalogram (EEG)-based seizure prediction methods. However, existing DA approaches are just the linear transformations of original data and cannot explore the feature space to increase diversity effectively. Therefore, we propose a novel diffusion-based DA method called DiffEEG. DiffEEG can fully explore data distribution and generate samples with high diversity, offering extra information to classifiers. It involves two processes: the diffusion process and the denoised process. In the diffusion process, the model incrementally adds noise with different scales to EEG input and converts it into random noise. In this way, the representation of data can be learned. In the denoised process, the model utilizes learned knowledge to sample synthetic data from random noise input by gradually removing noise. The randomness of input noise and the precise representation enable the synthetic samples to possess diversity while ensuring the consistency of feature space. We compared DiffEEG with original, down-sampling, sliding windows and recombination methods, and integrated them into five representative classifiers. The experiments demonstrate the effectiveness and generality of our method. With the contribution of DiffEEG, the Multi-scale CNN achieves state-of-the-art performance, with an average sensitivity, FPR, AUC of 95.4%, 0.051/h, 0.932 on the CHB-MIT database and 93.6%, 0.121/h, 0.822 on the Kaggle database.
Authors: Miao Li, Wenhao Ding, Ding Zhao
Abstract: The prominence of embodied Artificial Intelligence (AI), which empowers robots to navigate, perceive, and engage within virtual environments, has attracted significant attention, owing to the remarkable advances in computer vision and large language models. Privacy emerges as a pivotal concern within the realm of embodied AI, as the robot accesses substantial personal information. However, the issue of privacy leakage in embodied AI tasks, particularly concerning reinforcement learning algorithms, has not received adequate consideration in research. This paper aims to address this gap by proposing an attack on the training process of the value-based algorithm and the gradient-based algorithm, utilizing gradient inversion to reconstruct states, actions, and supervisory signals. The choice of using gradients for the attack is motivated by the fact that commonly employed federated learning techniques solely utilize gradients computed based on private user data to optimize models, without storing or transmitting the data to public servers. Nevertheless, these gradients contain sufficient information to potentially expose private data. To validate our approach, we conducted experiments on the AI2THOR simulator and evaluated our algorithm on active perception, a prevalent task in embodied AI. The experimental results demonstrate the effectiveness of our method in successfully reconstructing all information from the data in 120 room layouts. Check our website for videos.
Authors: Sourajit Das, Navid NaderiAlizadeh, Alejandro Ribeiro
Abstract: This paper examines the problem of information routing in a large-scale communication network, which can be formulated as a constrained statistical learning problem having access to only local information. We delineate a novel State Augmentation (SA) strategy to maximize the aggregate information at source nodes using graph neural network (GNN) architectures, by deploying graph convolutions over the topological links of the communication network. The proposed technique leverages only the local information available at each node and efficiently routes desired information to the destination nodes. We leverage an unsupervised learning procedure to convert the output of the GNN architecture to optimal information routing strategies. In the experiments, we perform the evaluation on real-time network topologies to validate our algorithms. Numerical simulations depict the improved performance of the proposed method in training a GNN parameterization as compared to baseline algorithms.
Authors: Annie S. Chen, Govind Chada, Laura Smith, Archit Sharma, Zipeng Fu, Sergey Levine, Chelsea Finn
Abstract: To succeed in the real world, robots must cope with situations that differ from those seen during training. We study the problem of adapting on-the-fly to such novel scenarios during deployment, by drawing upon a diverse repertoire of previouslylearned behaviors. Our approach, RObust Autonomous Modulation (ROAM), introduces a mechanism based on the perceived value of pre-trained behaviors to select and adapt pre-trained behaviors to the situation at hand. Crucially, this adaptation process all happens within a single episode at test time, without any human supervision. We demonstrate that ROAM enables a robot to adapt rapidly to changes in dynamics both in simulation and on a real Go1 quadruped, even successfully moving forward with roller skates on its feet. Our approach adapts over 2x as efficiently compared to existing methods when facing a variety of out-of-distribution situations during deployment by effectively choosing and adapting relevant behaviors on-the-fly.
Authors: Bowen Jiang, Zhijun Zhuang, Shreyas S. Shivakumar, Camillo J. Taylor
Abstract: This work introduces an enhanced approach to generating scene graphs by incorporating both a relationship hierarchy and commonsense knowledge. Specifically, we begin by proposing a hierarchical relation head that exploits an informative hierarchical structure. It jointly predicts the relation super-category between object pairs in an image, along with detailed relations under each super-category. Following this, we implement a robust commonsense validation pipeline that harnesses foundation models to critique the results from the scene graph prediction system, removing nonsensical predicates even with a small language-only model. Extensive experiments on Visual Genome and OpenImage V6 datasets demonstrate that the proposed modules can be seamlessly integrated as plug-and-play enhancements to existing scene graph generation algorithms. The results show significant improvements with an extensive set of reasonable predictions beyond dataset annotations. Codes are available at https://github.com/bowen-upenn/scene_graph_commonsense.
URLs: https://github.com/bowen-upenn/scene_graph_commonsense.
Authors: Dian Xu, Shanshan Wang, Weibing Deng, Feng Gao, Wei Li, Jianmin Shen
Abstract: The application of machine learning in the study of phase transitions has achieved remarkable success in both equilibrium and non-equilibrium systems. It is widely recognized that unsupervised learning can retrieve phase transition information through hidden variables. However, using unsupervised methods to identify the critical point of percolation models has remained an intriguing challenge. This paper suggests that, by inputting the largest cluster rather than the original configuration into the learning model, unsupervised learning can indeed predict the critical point of the percolation model. Furthermore, we observe that when the largest cluster configuration is randomly shuffled-altering the positions of occupied sites or bonds-there is no significant difference in the output compared to learning the largest cluster configuration directly. This finding suggests a more general principle: unsupervised learning primarily captures particle density, or more specifically, occupied site density. However, shuffling does impact the formation of the largest cluster, which is directly related to phase transitions. As randomness increases, we observe that the correlation length tends to decrease, providing direct evidence of this relationship. We also propose a method called Fake Finite Size Scaling (FFSS) to calculate the critical value, which improves the accuracy of fitting to a great extent.
Authors: Shuo Chen, Zhen Han, Bailan He, Jianzhe Liu, Mark Buckley, Yao Qin, Philip Torr, Volker Tresp, Jindong Gu
Abstract: Large Language Models (LLMs) with in-context learning (ICL) ability can quickly adapt to a specific context given a few demonstrations (demos). Recently, Multimodal Large Language Models (MLLMs) built upon LLMs have also shown multimodal ICL ability, i.e., responding to queries given a few multimodal demos, including images, queries, and answers. While ICL has been extensively studied on LLMs, its research on MLLMs remains limited. One essential question is whether these MLLMs can truly conduct multimodal ICL, or if only the textual modality is necessary. We investigate this question by examining two primary factors that influence ICL: 1) Demo content, i.e., understanding the influences of demo content in different modalities. 2) Demo selection strategy, i.e., how to select better multimodal demos for improved performance. Experiments revealed that multimodal ICL is predominantly driven by the textual content whereas the visual information in the demos has little influence. Interestingly, visual content is still necessary and useful for selecting demos to increase performance. Motivated by our analysis, we propose a simple yet effective approach, termed Mixed Modality In-Context Example Selection (MMICES), which considers both visual and language modalities when selecting demos. Extensive experiments are conducted to support our findings and verify the improvement brought by our method. Code is available at \url{https://chenxshuo.github.io/m-icl/}.
Authors: Ian Magnusson, Akshita Bhagia, Valentin Hofmann, Luca Soldaini, Ananya Harsh Jha, Oyvind Tafjord, Dustin Schwenk, Evan Pete Walsh, Yanai Elazar, Kyle Lo, Dirk Groeneveld, Iz Beltagy, Hannaneh Hajishirzi, Noah A. Smith, Kyle Richardson, Jesse Dodge
Abstract: Evaluations of language models (LMs) commonly report perplexity on monolithic data held out from training. Implicitly or explicitly, this data is composed of domains--varying distributions of language. We introduce Perplexity Analysis for Language Model Assessment (Paloma), a benchmark to measure LM fit to 546 English and code domains, instead of assuming perplexity on one distribution extrapolates to others. We include two new datasets of the top 100 subreddits (e.g., r/depression on Reddit) and programming languages (e.g., Java on GitHub), both sources common in contemporary LMs. With our benchmark, we release 6 baseline 1B LMs carefully controlled to provide fair comparisons about which pretraining corpus is best and code for others to apply those controls to their own experiments. Our case studies demonstrate how the fine-grained results from Paloma surface findings such as that models pretrained without data beyond Common Crawl exhibit anomalous gaps in LM fit to many domains or that loss is dominated by the most frequently occurring strings in the vocabulary.
Authors: Namkyeong Lee, Heewoong Noh, Gyoung S. Na, Jimeng Sun, Tianfan Fu, Marinka Zitnik, Chanyoung Park
Abstract: Machine learning (ML) has seen promising developments in materials science, yet its efficacy largely depends on detailed crystal structural data, which are often complex and hard to obtain, limiting their applicability in real-world material synthesis processes. An alternative, using compositional descriptors, offers a simpler approach by indicating the elemental ratios of compounds without detailed structural insights. However, accurately representing materials solely with compositional descriptors presents challenges due to polymorphism, where a single composition can correspond to various structural arrangements, creating ambiguities in its representation. To this end, we introduce PCRL, a novel approach that employs probabilistic modeling of composition to capture the diverse polymorphs from available structural information. Extensive evaluations on sixteen datasets demonstrate the effectiveness of PCRL in learning compositional representation, and our analysis highlights its potential applicability of PCRL in material discovery. The source code for PCRL is available at https://github.com/Namkyeong/PCRL.
Authors: Xin Wang, Zhongwei Wan, Arvin Hekmati, Mingyu Zong, Samiul Alam, Mi Zhang, Bhaskar Krishnamachari
Abstract: Advancements in Generative AI hold immense promise to push Internet of Things (IoT) to the next level. In this article, we share our vision on IoT in the era of Generative AI. We discuss some of the most important applications of Generative AI in IoT-related domains. We also identify some of the most critical challenges and discuss current gaps as well as promising opportunities on enabling Generative AI for IoT. We hope this article can inspire new research on IoT in the era of Generative AI.
Authors: Bo Chen, Xingyi Cheng, Pan Li, Yangli-ao Geng, Jing Gong, Shen Li, Zhilei Bei, Xu Tan, Boyan Wang, Xin Zeng, Chiming Liu, Aohan Zeng, Yuxiao Dong, Jie Tang, Le Song
Abstract: Protein language models have shown remarkable success in learning biological information from protein sequences. However, most existing models are limited by either autoencoding or autoregressive pre-training objectives, which makes them struggle to handle protein understanding and generation tasks concurrently. We propose a unified protein language model, xTrimoPGLM, to address these two types of tasks simultaneously through an innovative pre-training framework. Our key technical contribution is an exploration of the compatibility and the potential for joint optimization of the two types of objectives, which has led to a strategy for training xTrimoPGLM at an unprecedented scale of 100 billion parameters and 1 trillion training tokens. Our extensive experiments reveal that 1) xTrimoPGLM significantly outperforms other advanced baselines in 18 protein understanding benchmarks across four categories. The model also facilitates an atomic-resolution view of protein structures, leading to an advanced 3D structural prediction model that surpasses existing language model-based tools. 2) xTrimoPGLM not only can generate de novo protein sequences following the principles of natural ones, but also can perform programmable generation after supervised fine-tuning (SFT) on curated sequences. These results highlight the substantial capability and versatility of xTrimoPGLM in understanding and generating protein sequences, contributing to the evolving landscape of foundation models in protein science.
Authors: Ahmed Ghita, Bj{\o}rk Antoniussen, Walter Zimmer, Ross Greer, Christian Cre{\ss}, Andreas M{\o}gelmose, Mohan M. Trivedi, Alois C. Knoll
Abstract: The curation of large-scale datasets is still costly and requires much time and resources. Data is often manually labeled, and the challenge of creating high-quality datasets remains. In this work, we fill the research gap using active learning for multi-modal 3D object detection. We propose ActiveAnno3D, an active learning framework to select data samples for labeling that are of maximum informativeness for training. We explore various continuous training methods and integrate the most efficient method regarding computational demand and detection performance. Furthermore, we perform extensive experiments and ablation studies with BEVFusion and PV-RCNN on the nuScenes and TUM Traffic Intersection dataset. We show that we can achieve almost the same performance with PV-RCNN and the entropy-based query strategy when using only half of the training data (77.25 mAP compared to 83.50 mAP) of the TUM Traffic Intersection dataset. BEVFusion achieved an mAP of 64.31 when using half of the training data and 75.0 mAP when using the complete nuScenes dataset. We integrate our active learning framework into the proAnno labeling tool to enable AI-assisted data selection and labeling and minimize the labeling costs. Finally, we provide code, weights, and visualization results on our website: https://active3d-framework.github.io/active3d-framework.
URLs: https://active3d-framework.github.io/active3d-framework.
Authors: Xinyu Li, Ruiyang Zhou, Zachary C. Lipton, Liu Leqi
Abstract: Personalized large language models (LLMs) are designed to tailor responses to individual user preferences. While Reinforcement Learning from Human Feedback (RLHF) is a commonly used framework for aligning LLMs with human preferences, vanilla RLHF assumes that all human preferences share the same distribution, preventing fine-tuned LLMs from generating personalized content when user preferences are diverse. In this work, we propose Personalized-RLHF (P-RLHF), an efficient framework that utilizes a lightweight user model to capture individual user preferences and jointly learns the user model and the personalized LLM from human feedback. P-RLHF exhibits the following three characteristics: (1) It enables an LLM to generate personalized content and scale efficiently with growing number of users. (2) It handles both explicit user preferences described as textual input and implicit user preferences encoded in the feedback data. (3) It eliminates the need for users to fully articulate their preferences, which are normally needed for prompting LLMs to generate personalized content yet are often impractical to obtain in real-world scenarios. Our experimental results show that personalized LLMs trained using P-RLHF generate responses that are more closely aligned with individual user preferences, outperforming vanilla, non-personalized RLHF and prompting-based personalization approaches across different tasks. We opensource our code at https://github.com/HumainLab/Personalized_RLHF.
Authors: Henry W. Sprueill, Carl Edwards, Khushbu Agarwal, Mariefel V. Olarte, Udishnu Sanyal, Conrad Johnston, Hongbin Liu, Heng Ji, Sutanay Choudhury
Abstract: The discovery of new catalysts is essential for the design of new and more efficient chemical processes in order to transition to a sustainable future. We introduce an AI-guided computational screening framework unifying linguistic reasoning with quantum-chemistry based feedback from 3D atomistic representations. Our approach formulates catalyst discovery as an uncertain environment where an agent actively searches for highly effective catalysts via the iterative combination of large language model (LLM)-derived hypotheses and atomistic graph neural network (GNN)-derived feedback. Identified catalysts in intermediate search steps undergo structural evaluation based on spatial orientation, reaction pathways, and stability. Scoring functions based on adsorption energies and reaction energy barriers steer the exploration in the LLM's knowledge space toward energetically favorable, high-efficiency catalysts. We introduce planning methods that automatically guide the exploration without human input, providing competitive performance against expert-enumerated chemical descriptor-based implementations. By integrating language-guided reasoning with computational chemistry feedback, our work pioneers AI-accelerated, trustworthy catalyst discovery.
Authors: Haolin Chen, Philip N. Garner
Abstract: We are motivated primarily by the adaptation of text-to-speech synthesis models; however we argue that more generic parameter-efficient fine-tuning (PEFT) is an appropriate framework to do such adaptation. Nevertheless, catastrophic forgetting remains an issue with PEFT, damaging the pre-trained model's inherent capabilities. We demonstrate that existing Bayesian learning techniques can be applied to PEFT to prevent catastrophic forgetting as long as the parameter shift of the fine-tuned layers can be calculated differentiably. In a principled series of experiments on language modeling and speech synthesis tasks, we utilize established Laplace approximations, including diagonal and Kronecker-factored approaches, to regularize PEFT with the low-rank adaptation (LoRA) and compare their performance in pre-training knowledge preservation. Our results demonstrate that catastrophic forgetting can be overcome by our methods without degrading the fine-tuning performance, and using the Kronecker-factored approximation produces a better preservation of the pre-training knowledge than the diagonal ones.
Authors: Jonathan Hayase, Ema Borevkovic, Nicholas Carlini, Florian Tram\`er, Milad Nasr
Abstract: Recent work has shown it is possible to construct adversarial examples that cause an aligned language model to emit harmful strings or perform harmful behavior. Existing attacks work either in the white-box setting (with full access to the model weights), or through transferability: the phenomenon that adversarial examples crafted on one model often remain effective on other models. We improve on prior work with a query-based attack that leverages API access to a remote language model to construct adversarial examples that cause the model to emit harmful strings with (much) higher probability than with transfer-only attacks. We validate our attack on GPT-3.5 and OpenAI's safety classifier; we can cause GPT-3.5 to emit harmful strings that current transfer attacks fail at, and we can evade the safety classifier with nearly 100% probability.
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: Asad Aali, Dave Van Veen, Yamin Ishraq Arefeen, Jason Hom, Christian Bluethgen, Eduardo Pontes Reis, Sergios Gatidis, Namuun Clifford, Joseph Daws, Arash S. Tehrani, Jangwon Kim, Akshay S. Chaudhari
Abstract: Brief hospital course (BHC) summaries are clinical documents that summarize a patient's hospital stay. While large language models (LLMs) depict remarkable capabilities in automating real-world tasks, their capabilities for healthcare applications such as synthesizing BHCs from clinical notes have not been shown. We introduce a novel pre-processed dataset, the MIMIC-IV-BHC, encapsulating clinical note and brief hospital course (BHC) pairs to adapt LLMs for BHC synthesis. Furthermore, we introduce a benchmark of the summarization performance of two general-purpose LLMs and three healthcare-adapted LLMs. Using clinical notes as input, we apply prompting-based (using in-context learning) and fine-tuning-based adaptation strategies to three open-source LLMs (Clinical-T5-Large, Llama2-13B, FLAN-UL2) and two proprietary LLMs (GPT-3.5, GPT-4). We evaluate these LLMs across multiple context-length inputs using natural language similarity metrics. We further conduct a clinical study with five clinicians, comparing clinician-written and LLM-generated BHCs across 30 samples, focusing on their potential to enhance clinical decision-making through improved summary quality. We observe that the Llama2-13B fine-tuned LLM outperforms other domain-adapted models given quantitative evaluation metrics of BLEU and BERT-Score. GPT-4 with in-context learning shows more robustness to increasing context lengths of clinical note inputs than fine-tuned Llama2-13B. Despite comparable quantitative metrics, the reader study depicts a significant preference for summaries generated by GPT-4 with in-context learning compared to both Llama2-13B fine-tuned summaries and the original summaries, highlighting the need for qualitative clinical evaluation.
Authors: Muhammad A. Shah, David Solans Noguero, Mikko A. Heikkila, Bhiksha Raj, Nicolas Kourtellis
Abstract: As Automatic Speech Recognition (ASR) models become ever more pervasive, it is important to ensure that they make reliable predictions under corruptions present in the physical and digital world. We propose Speech Robust Bench (SRB), a comprehensive benchmark for evaluating the robustness of ASR models to diverse corruptions. SRB is composed of 114 input perturbations which simulate an heterogeneous range of corruptions that ASR models may encounter when deployed in the wild. We use SRB to evaluate the robustness of several state-of-the-art ASR models and observe that model size and certain modeling choices such as the use of discrete representations, or self-training appear to be conducive to robustness. We extend this analysis to measure the robustness of ASR models on data from various demographic subgroups, namely English and Spanish speakers, and males and females. Our results revealed noticeable disparities in the model's robustness across subgroups. We believe that SRB will significantly facilitate future research towards robust ASR models, by making it easier to conduct comprehensive and comparable robustness evaluations.
Authors: Er-Te Zheng, Hui-Zhen Fu, Mike Thelwall, Zhichao Fang
Abstract: Quickly detecting problematic research articles is crucial to safeguarding the integrity of scientific research. This study explores whether Twitter mentions of retracted articles can signal potential problems with the articles prior to their retraction, potentially serving as an early warning system for scholars. To investigate this, we analysed a dataset of 4,354 Twitter mentions associated with 504 retracted articles. The effectiveness of Twitter mentions in predicting article retractions was evaluated by both manual and Large Language Model (LLM) labelling. Manual labelling results indicated that 25.7% of tweets signalled problems before retraction. Using the manual labelling results as the baseline, we found that LLMs (GPT-4o-mini, Gemini 1.5 Flash, and Claude-3.5-Haiku) outperformed lexicon-based sentiment analysis tools (e.g., TextBlob) in detecting potential problems, suggesting that automatic detection of problematic articles from social media using LLMs is technically feasible. Nevertheless, since only a small proportion of retracted articles (11.1%) were criticised on Twitter prior to retraction, such automatic systems would detect only a minority of problematic articles. Overall, this study offers insights into how social media data, coupled with emerging generative AI techniques, can support research integrity.
Authors: Yutong He, Alexander Robey, Naoki Murata, Yiding Jiang, Joshua Nathaniel Williams, George J. Pappas, Hamed Hassani, Yuki Mitsufuji, Ruslan Salakhutdinov, J. Zico Kolter
Abstract: Prompt engineering is effective for controlling the output of text-to-image (T2I) generative models, but it is also laborious due to the need for manually crafted prompts. This challenge has spurred the development of algorithms for automated prompt generation. However, these methods often struggle with transferability across T2I models, require white-box access to the underlying model, and produce non-intuitive prompts. In this work, we introduce PRISM, an algorithm that automatically identifies human-interpretable and transferable prompts that can effectively generate desired concepts given only black-box access to T2I models. Inspired by large language model (LLM) jailbreaking, PRISM leverages the in-context learning ability of LLMs to iteratively refine the candidate prompts distribution for given reference images. Our experiments demonstrate the versatility and effectiveness of PRISM in generating accurate prompts for objects, styles and images across multiple T2I models, including Stable Diffusion, DALL-E, and Midjourney.
Authors: Ieva Petrulionyte, Julien Mairal, Michael Arbel
Abstract: In this paper, we introduce a new functional point of view on bilevel optimization problems for machine learning, where the inner objective is minimized over a function space. These types of problems are most often solved by using methods developed in the parametric setting, where the inner objective is strongly convex with respect to the parameters of the prediction function. The functional point of view does not rely on this assumption and notably allows using over-parameterized neural networks as the inner prediction function. We propose scalable and efficient algorithms for the functional bilevel optimization problem and illustrate the benefits of our approach on instrumental regression and reinforcement learning tasks.
Authors: Rachmad Vidya Wicaksana Putra, Muhammad Shafique
Abstract: Spiking Neural Networks (SNNs) can offer ultra-low power/energy consumption for machine learning-based application tasks due to their sparse spike-based operations. Currently, most of the SNN architectures need a significantly larger model size to achieve higher accuracy, which is not suitable for resource-constrained embedded applications. Therefore, developing SNNs that can achieve high accuracy with acceptable memory footprint is highly needed. Toward this, we propose SpiKernel, a novel methodology that improves the accuracy of SNNs through kernel size exploration. Its key steps include (1) investigating the impact of different kernel sizes on the accuracy, (2) devising new sets of kernel sizes, (3) generating SNN architectures using neural architecture search based on the selected kernel sizes, and (4) analyzing the accuracy-memory trade-offs for SNN model selection. The experimental results show that our SpiKernel achieves higher accuracy than state-of-the-art works (i.e., 93.24% for CIFAR10, 70.84% for CIFAR100, and 62% for TinyImageNet) with less than 10M parameters and up to 4.8x speed-up of searching time, thereby making it suitable for embedded applications.
Authors: David R. Nickel, Anindya Bijoy Das, David J. Love, Christopher G. Brinton
Abstract: Opportunistic spectrum access has the potential to increase the efficiency of spectrum utilization in cognitive radio networks (CRNs). In CRNs, both spectrum sensing and resource allocation (SSRA) are critical to maximizing system throughput while minimizing collisions of secondary users with the primary network. However, many works in dynamic spectrum access do not consider the impact of imperfect sensing information such as mis-detected channels, which the additional information available in joint SSRA can help remediate. In this work, we examine joint SSRA as an optimization which seeks to maximize a CRN's net communication rate subject to constraints on channel sensing, channel access, and transmit power. Given the non-trivial nature of the problem, we leverage multi-agent reinforcement learning to enable a network of secondary users to dynamically access unoccupied spectrum via only local test statistics, formulated under the energy detection paradigm of spectrum sensing. In doing so, we develop a novel multi-agent implementation of hybrid soft actor critic, MHSAC, based on the QMIX mixing scheme. Through experiments, we find that our SSRA algorithm, HySSRA, is successful in maximizing the CRN's utilization of spectrum resources while also limiting its interference with the primary network, and outperforms the current state-of-the-art by a wide margin. We also explore the impact of wireless variations such as coherence time on the efficacy of the system.
Authors: Fleur Hendriks (Eindhoven University of Technology), Vlado Menkovski (Eindhoven University of Technology), Martin Do\v{s}k\'a\v{r} (Czech Technical University in Prague), Marc G. D. Geers (Eindhoven University of Technology), Ond\v{r}ej Roko\v{s} (Eindhoven University of Technology)
Abstract: Soft, porous mechanical metamaterials exhibit pattern transformations that may have important applications in soft robotics, sound reduction and biomedicine. To design these innovative materials, it is important to be able to simulate them accurately and quickly, in order to tune their mechanical properties. Since conventional simulations using the finite element method entail a high computational cost, in this article we aim to develop a machine learning-based approach that scales favorably to serve as a surrogate model. To ensure that the model is also able to handle various microstructures, including those not encountered during training, we include the microstructure as part of the network input. Therefore, we introduce a graph neural network that predicts global quantities (energy, stress stiffness) as well as the pattern transformations that occur (the kinematics). To make our model as accurate and data-efficient as possible, various symmetries are incorporated into the model. The starting point is an E(n)-equivariant graph neural network (which respects translation, rotation and reflection) that has periodic boundary conditions (i.e., it is in-/equivariant with respect to the choice of RVE), is scale in-/equivariant, can simulate large deformations, and can predict scalars, vectors as well as second and fourth order tensors (specifically energy, stress and stiffness). The incorporation of scale equivariance makes the model equivariant with respect to the similarities group, of which the Euclidean group E(n) is a subgroup. We show that this network is more accurate and data-efficient than graph neural networks with fewer symmetries. To create an efficient graph representation of the finite element discretization, we use only the internal geometrical hole boundaries from the finite element mesh to achieve a better speed-up and scaling with the mesh size.
Authors: Letitia Parcalabescu, Anette Frank
Abstract: Vision and language model (VLM) decoders are currently the best-performing architectures on multimodal tasks. Next to answers, they are able to produce natural language explanations, either in post-hoc or CoT settings. However, it is not clear to what extent they are using the input vision and text modalities when generating answers or explanations. In this work, we investigate if VLMs rely on their input modalities differently when they produce explanations as opposed to answers. We also evaluate the self-consistency of VLM decoders in both post-hoc and CoT explanation settings, by extending existing unimodal tests and measures to VLM decoders. We find that most tested VLMs are less self-consistent than LLMs. Text contributions in all tested VL decoders are more important than image contributions in all examined tasks. However, when comparing explanation generation to answer generation, the contributions of images are significantly stronger for generating explanations compared to answers. This difference is even larger in CoT compared to post-hoc explanations. Lastly, we provide an up-to-date benchmarking of state-of-the-art VL decoders on the VALSE benchmark, which before was restricted to VL encoders. We find that the tested VL decoders still struggle with most phenomena tested by VALSE.
Authors: Haitao Lin, Odin Zhang, Huifeng Zhao, Dejun Jiang, Lirong Wu, Zicheng Liu, Yufei Huang, Stan Z. Li
Abstract: Therapeutic peptides have proven to have great pharmaceutical value and potential in recent decades. However, methods of AI-assisted peptide drug discovery are not fully explored. To fill the gap, we propose a target-aware peptide design method called \textsc{PPFlow}, based on conditional flow matching on torus manifolds, to model the internal geometries of torsion angles for the peptide structure design. Besides, we establish a protein-peptide binding dataset named PPBench2024 to fill the void of massive data for the task of structure-based peptide drug design and to allow the training of deep learning methods. Extensive experiments show that PPFlow reaches state-of-the-art performance in tasks of peptide drug generation and optimization in comparison with baseline models, and can be generalized to other tasks including docking and side-chain packing.
Authors: Amin Sarihi, Peter Jamieson, Ahmad Patooghy, Abdel-Hameed A. Badawy
Abstract: The Hardware Trojan (HT) problem can be thought of as a continuous game between attackers and defenders, each striving to outsmart the other by leveraging any available means for an advantage. Machine Learning (ML) has recently played a key role in advancing HT research. Various novel techniques, such as Reinforcement Learning (RL) and Graph Neural Networks (GNNs), have shown HT insertion and detection capabilities. HT insertion with ML techniques, specifically, has seen a spike in research activity due to the shortcomings of conventional HT benchmarks and the inherent human design bias that occurs when we create them. This work continues this innovation by presenting a tool called TrojanForge, capable of generating HT adversarial examples that defeat HT detectors; demonstrating the capabilities of GAN-like adversarial tools for automatic HT insertion. We introduce an RL environment where the RL insertion agent interacts with HT detectors in an insertion-detection loop where the agent collects rewards based on its success in bypassing HT detectors. Our results show that this process helps inserted HTs evade various HT detectors, achieving high attack success percentages. This tool provides insight into why HT insertion fails in some instances and how we can leverage this knowledge in defense.
Authors: Andrew Balch
Abstract: Algorithms are unavoidable in our social lives, yet often perpetuate social injustices. The popular means of addressing this is through algorithmic reformism: fine-tuning algorithms themselves to be more fair, accountable, and transparent. However, reformism fails to curtail algorithmic injustice because it ignores the power structure surrounding algorithms. Heeding calls from critical algorithm studies, I employ a framework developed by Erik Olin Wright to examine the configuration of power surrounding algorithmic systems in society (Algorithmic Activity). Algorithmic Activity is unjust because it is dominated by economic power. To create socially just Algorithmic Activity, the power configuration must instead empower end users. I explore Wright's symbiotic, interstitial, and raptural transformations in the context of just Algorithmic Activity. My vision for social justice in algorithmic systems requires a continuous (re)evaluation of how power can be transformed in light of current structure, social theories, evolving methodologies, and one's relationship to power itself.
Authors: Vinzenz Thoma, Barna Pasztor, Andreas Krause, Giorgia Ramponi, Yifan Hu
Abstract: The optimal policy in various real-world strategic decision-making problems depends both on the environmental configuration and exogenous events. For these settings, we introduce Contextual Bilevel Reinforcement Learning (CB-RL), a stochastic bilevel decision-making model, where the lower level consists of solving a contextual Markov Decision Process (CMDP). CB-RL can be viewed as a Stackelberg Game where the leader and a random context beyond the leader's control together decide the setup of many MDPs that potentially multiple followers best respond to. This framework extends beyond traditional bilevel optimization and finds relevance in diverse fields such as RLHF, tax design, reward shaping, contract theory and mechanism design. We propose a stochastic Hyper Policy Gradient Descent (HPGD) algorithm to solve CB-RL, and demonstrate its convergence. Notably, HPGD uses stochastic hypergradient estimates, based on observations of the followers' trajectories. Therefore, it allows followers to use any training procedure and the leader to be agnostic of the specific algorithm, which aligns with various real-world scenarios. We further consider the setting when the leader can influence the training of followers and propose an accelerated algorithm. We empirically demonstrate the performance of our algorithm for reward shaping and tax design.
Authors: Tero Karras, Miika Aittala, Tuomas Kynk\"a\"anniemi, Jaakko Lehtinen, Timo Aila, Samuli Laine
Abstract: The primary axes of interest in image-generating diffusion models are image quality, the amount of variation in the results, and how well the results align with a given condition, e.g., a class label or a text prompt. The popular classifier-free guidance approach uses an unconditional model to guide a conditional model, leading to simultaneously better prompt alignment and higher-quality images at the cost of reduced variation. These effects seem inherently entangled, and thus hard to control. We make the surprising observation that it is possible to obtain disentangled control over image quality without compromising the amount of variation by guiding generation using a smaller, less-trained version of the model itself rather than an unconditional model. This leads to significant improvements in ImageNet generation, setting record FIDs of 1.01 for 64x64 and 1.25 for 512x512, using publicly available networks. Furthermore, the method is also applicable to unconditional diffusion models, drastically improving their quality.
Authors: Shuhan Xiao, Lukas Klein, Jens Petersen, Philipp Vollmuth, Paul F. Jaeger, Klaus H. Maier-Hein
Abstract: Identifying predictive covariates, which forecast individual treatment effectiveness, is crucial for decision-making across different disciplines such as personalized medicine. These covariates, referred to as biomarkers, are extracted from pre-treatment data, often within randomized controlled trials, and should be distinguished from prognostic biomarkers, which are independent of treatment assignment. Our study focuses on discovering predictive imaging biomarkers, specific image features, by leveraging pre-treatment images to uncover new causal relationships. Unlike labor-intensive approaches relying on handcrafted features prone to bias, we present a novel task of directly learning predictive features from images. We propose an evaluation protocol to assess a model's ability to identify predictive imaging biomarkers and differentiate them from purely prognostic ones by employing statistical testing and a comprehensive analysis of image feature attribution. We explore the suitability of deep learning models originally developed for estimating the conditional average treatment effect (CATE) for this task, which have been assessed primarily for their precision of CATE estimation while overlooking the evaluation of imaging biomarker discovery. Our proof-of-concept analysis demonstrates the feasibility and potential of our approach in discovering and validating predictive imaging biomarkers from synthetic outcomes and real-world image datasets. Our code is available at \url{https://github.com/MIC-DKFZ/predictive_image_biomarker_analysis}.
URLs: https://github.com/MIC-DKFZ/predictive_image_biomarker_analysis
Authors: Lei Liu, Xiaoyan Yang, Junchi Lei, Yue Shen, Jian Wang, Peng Wei, Zhixuan Chu, Zhan Qin, Kui Ren
Abstract: With the advent of Large Language Models (LLMs), medical artificial intelligence (AI) has experienced substantial technological progress and paradigm shifts, highlighting the potential of LLMs to streamline healthcare delivery and improve patient outcomes. Considering this rapid technical progress, in this survey, we trace the recent advances of Medical Large Language Models (Med-LLMs), including the background, key findings, and mainstream techniques, especially for the evolution from general-purpose models to medical-specialized applications. Firstly, we delve into the foundational technology of Med-LLMs, indicating how general models can be progressively adapted and refined for the complicated medical tasks. Secondly, the wide-ranging applications of Med-LLMs are investigated across various healthcare domains, as well as an up-to-date review of existing Med-LLMs. The transformative impact of these models on daily medical practice is evident through their ability to assist clinicians, educators, and patients. Recognizing the importance of responsible innovation, we discuss the challenges associated with ensuring fairness, accountability, privacy, and robustness. Ethical considerations, rigorous evaluation methodologies, and the establishment of regulatory frameworks are crucial for building trustworthiness in the real-world system. We emphasize the need for ongoing scrutiny and development to maintain high standards of safety and reliability. Finally, we anticipate possible future trajectories for Med-LLMs, identifying key avenues for prudent expansion. By consolidating these insights, our review aims to provide professionals and researchers with a thorough understanding of the strengths and limitations of Med-LLMs, fostering a balanced and ethical approach to their integration into the healthcare ecosystem.
Authors: Ghjulia Sialelli, Torben Peters, Jan D. Wegner, Konrad Schindler
Abstract: Accurate estimates of Above Ground Biomass (AGB) are essential in addressing two of humanity's biggest challenges, climate change and biodiversity loss. Existing datasets for AGB estimation from satellite imagery are limited. Either they focus on specific, local regions at high resolution, or they offer global coverage at low resolution. There is a need for a machine learning-ready, globally representative, high-resolution benchmark. Our findings indicate significant variability in biomass estimates across different vegetation types, emphasizing the necessity for a dataset that accurately captures global diversity. To address these gaps, we introduce a comprehensive new dataset that is globally distributed, covers a range of vegetation types, and spans several years. This dataset combines AGB reference data from the GEDI mission with data from Sentinel-2 and PALSAR-2 imagery. Additionally, it includes pre-processed high-level features such as a dense canopy height map, an elevation map, and a land-cover classification map. We also produce a dense, high-resolution (10m) map of AGB predictions for the entire area covered by the dataset. Rigorously tested, our dataset is accompanied by several benchmark models and is publicly available. It can be easily accessed using a single line of code, offering a solid basis for efforts towards global AGB estimation. The GitHub repository github.com/ghjuliasialelli/AGBD serves as a one-stop shop for all code and data.
Authors: Sheng-Yu Wang, Aaron Hertzmann, Alexei A. Efros, Jun-Yan Zhu, Richard Zhang
Abstract: The goal of data attribution for text-to-image models is to identify the training images that most influence the generation of a new image. Influence is defined such that, for a given output, if a model is retrained from scratch without the most influential images, the model would fail to reproduce the same output. Unfortunately, directly searching for these influential images is computationally infeasible, since it would require repeatedly retraining models from scratch. In our work, we propose an efficient data attribution method by simulating unlearning the synthesized image. We achieve this by increasing the training loss on the output image, without catastrophic forgetting of other, unrelated concepts. We then identify training images with significant loss deviations after the unlearning process and label these as influential. We evaluate our method with a computationally intensive but "gold-standard" retraining from scratch and demonstrate our method's advantages over previous methods.
Authors: Alvin Wei Ming Tan, Sunny Yu, Bria Long, Wanjing Anya Ma, Tonya Murray, Rebecca D. Silverman, Jason D. Yeatman, Michael C. Frank
Abstract: How (dis)similar are the learning trajectories of vision-language models and children? Recent modeling work has attempted to understand the gap between models' and humans' data efficiency by constructing models trained on less data, especially multimodal naturalistic data. However, such models are often evaluated on adult-level benchmarks, with limited breadth in language abilities tested, and without direct comparison to behavioral data. We introduce DevBench, a multimodal benchmark comprising seven language evaluation tasks spanning the domains of lexical, syntactic, and semantic ability, with behavioral data from both children and adults. We evaluate a set of vision-language models on these tasks, comparing models and humans not only on accuracy but on their response patterns. Across tasks, models exhibit variation in their closeness to human response patterns, and models that perform better on a task also more closely resemble human behavioral responses. We also examine the developmental trajectory of OpenCLIP over training, finding that greater training results in closer approximations to adult response patterns. DevBench thus provides a benchmark for comparing models to human language development. These comparisons highlight ways in which model and human language learning processes diverge, providing insight into entry points for improving language models.
Authors: Wentao Shi, Mengqi Yuan, Junkang Wu, Qifan Wang, Fuli Feng
Abstract: Adapting Large Language Models (LLMs) for agent tasks is critical in developing language agents. Direct Preference Optimization (DPO) is a promising technique for this adaptation with the alleviation of compounding errors, offering a means to directly optimize Reinforcement Learning (RL) objectives. However, applying DPO to multi-turn tasks presents challenges due to the inability to cancel the partition function. Overcoming this obstacle involves making the partition function independent of the current state and addressing length disparities between preferred and dis-preferred trajectories. In this light, we replace the policy constraint with the state-action occupancy measure constraint in the RL objective and add length normalization to the Bradley-Terry model, yielding a novel loss function named DMPO for multi-turn agent tasks with theoretical explanations. Extensive experiments on three multi-turn agent task datasets confirm the effectiveness and superiority of the DMPO loss. The code is available at https://github.com/swt-user/DMPO.
Authors: Jiahai Feng, Stuart Russell, Jacob Steinhardt
Abstract: Language models are susceptible to bias, sycophancy, backdoors, and other tendencies that lead to unfaithful responses to the input context. Interpreting internal states of language models could help monitor and correct unfaithful behavior. We hypothesize that language models represent their input contexts in a latent world model, and seek to extract this latent world state from the activations. We do so with 'propositional probes', which compositionally probe tokens for lexical information and bind them into logical propositions representing the world state. For example, given the input context ''Greg is a nurse. Laura is a physicist.'', we decode the propositions ''WorksAs(Greg, nurse)'' and ''WorksAs(Laura, physicist)'' from the model's activations. Key to this is identifying a 'binding subspace' in which bound tokens have high similarity (''Greg'' and ''nurse'') but unbound ones do not (''Greg'' and ''physicist''). We validate propositional probes in a closed-world setting with finitely many predicates and properties. Despite being trained on simple templated contexts, propositional probes generalize to contexts rewritten as short stories and translated to Spanish. Moreover, we find that in three settings where language models respond unfaithfully to the input context -- prompt injections, backdoor attacks, and gender bias -- the decoded propositions remain faithful. This suggests that language models often encode a faithful world model but decode it unfaithfully, which motivates the search for better interpretability tools for monitoring LMs.
Authors: Cheng Su, Jinbo Wen, Jiawen Kang, Yonghua Wang, Yuanjia Su, Hudan Pan, Zishao Zhong, M. Shamim Hossain
Abstract: Secure data management and effective data sharing have become paramount in the rapidly evolving healthcare landscape, especially with the growing integration of the Internet of Medical Things (IoMT). The rise of generative artificial intelligence has further elevated Multi-modal Large Language Models (MLLMs) as essential tools for managing and optimizing healthcare data in IoMT. MLLMs can support multi-modal inputs and generate diverse types of content by leveraging large-scale training on vast amounts of multi-modal data. However, critical challenges persist in developing medical MLLMs, including security and freshness issues of healthcare data, affecting the output quality of MLLMs. To this end, in this paper, we propose a hybrid Retrieval-Augmented Generation (RAG)-empowered medical MLLM framework for healthcare data management. This framework leverages a hierarchical cross-chain architecture to facilitate secure data training. Moreover, it enhances the output quality of MLLMs through hybrid RAG, which employs multi-modal metrics to filter various unimodal RAG results and incorporates these retrieval results as additional inputs to MLLMs. Additionally, we employ age of information to indirectly evaluate the data freshness impact of MLLMs and utilize contract theory to incentivize healthcare data holders to share their fresh data, mitigating information asymmetry during data sharing. Finally, we utilize a generative diffusion model-based deep reinforcement learning algorithm to identify the optimal contract for efficient data sharing. Numerical results demonstrate the effectiveness of the proposed schemes, which achieve secure and efficient healthcare data management.
Authors: Ariel D. Procaccia, Benjamin Schiffer, Shirley Zhang
Abstract: We consider the problem of online fair division of indivisible goods to players when there are a finite number of types of goods and player values are drawn from distributions with unknown means. Our goal is to maximize social welfare subject to allocating the goods fairly in expectation. When a player's value for an item is unknown at the time of allocation, we show that this problem reduces to a variant of (stochastic) multi-armed bandits, where there exists an arm for each player's value for each type of good. At each time step, we choose a distribution over arms which determines how the next item is allocated. We consider two sets of fairness constraints for this problem: envy-freeness in expectation and proportionality in expectation. Our main result is the design of an explore-then-commit algorithm that achieves $\tilde{O}(T^{2/3})$ regret while maintaining either fairness constraint. This result relies on unique properties fundamental to fair-division constraints that allow faster rates of learning, despite the restricted action space. We also prove a lower bound of $\tilde{\Omega}(T^{2/3})$ regret for our setting, showing that our results are tight.
Authors: Pandiyaraju V, Shravan Venkatraman, Pavan Kumar S, Santhosh Malarvannan, Kannan A
Abstract: Breast cancer is one of the leading causes of death globally, and thus there is an urgent need for early and accurate diagnostic techniques. Although ultrasound imaging is a widely used technique for breast cancer screening, it faces challenges such as poor boundary delineation caused by variations in tumor morphology and reduced diagnostic accuracy due to inconsistent image quality. To address these challenges, we propose novel Deep Learning (DL) frameworks for breast lesion segmentation and classification. We introduce a precision mapping mechanism (PMM) for a precision mapping and attention-driven LinkNet (PMAD-LinkNet) segmentation framework that dynamically adapts spatial mappings through morphological variation analysis, enabling precise pixel-level refinement of tumor boundaries. Subsequently, we introduce a component-specific feature enhancement module (CSFEM) for a component-specific feature-enhanced classifier (CSFEC-Net). Through a multi-level attention approach, the CSFEM magnifies distinguishing features of benign, malignant, and normal tissues. The proposed frameworks are evaluated against existing literature and a diverse set of state-of-the-art Convolutional Neural Network (CNN) architectures. The obtained results show that our segmentation model achieves an accuracy of 98.1%, an IoU of 96.9%, and a Dice Coefficient of 97.2%. For the classification model, an accuracy of 99.2% is achieved with F1-score, precision, and recall values of 99.1%, 99.3%, and 99.1%, respectively.
Authors: Guillaume Rochette, Matthew J. Vowels, Mathieu Rochat
Abstract: psifx is a plug-and-play multi-modal feature extraction toolkit, aiming to facilitate and democratize the use of state-of-the-art machine learning techniques for human sciences research. It is motivated by a need (a) to automate and standardize data annotation processes, otherwise involving expensive, lengthy, and inconsistent human labor, such as the transcription or coding of behavior changes from audio and video sources; (b) to develop and distribute open-source community-driven psychology research software; and (c) to enable large-scale access and ease of use to non-expert users. The framework contains an array of tools for tasks, such as speaker diarization, closed-caption transcription and translation from audio, as well as body, hand, and facial pose estimation and gaze tracking from video. The package has been designed with a modular and task-oriented approach, enabling the community to add or update new tools easily. We strongly hope that this package will provide psychologists a simple and practical solution for efficiently a range of audio, linguistic, and visual features from audio and video, thereby creating new opportunities for in-depth study of real-time behavioral phenomena.
Authors: Robin Hesse, Simone Schaub-Meyer, Stefan Roth
Abstract: Attribution maps are one of the most established tools to explain the functioning of computer vision models. They assign importance scores to input features, indicating how relevant each feature is for the prediction of a deep neural network. While much research has gone into proposing new attribution methods, their proper evaluation remains a difficult challenge. In this work, we propose a novel evaluation protocol that overcomes two fundamental limitations of the widely used incremental-deletion protocol, i.e., the out-of-domain issue and lacking inter-model comparisons. This allows us to evaluate 23 attribution methods and how different design choices of popular vision backbones affect their attribution quality. We find that intrinsically explainable models outperform standard models and that raw attribution values exhibit a higher attribution quality than what is known from previous work. Further, we show consistent changes in the attribution quality when varying the network design, indicating that some standard design choices promote attribution quality.
Authors: Mohammad Mahmoudi Filabadi, Tom Lefebvre, Guillaume Crevecoeur
Abstract: In this article, we discuss two algorithms tailored to discrete-time deterministic finite-horizon nonlinear optimal control problems or so-called deterministic trajectory optimization problems. Both algorithms can be derived from an emerging theoretical paradigm that we refer to as probabilistic optimal control. The paradigm reformulates stochastic optimal control as an equivalent probabilistic inference problem and can be viewed as a generalisation of the former. The merit of this perspective is that it allows to address the problem using the Expectation-Maximization algorithm. It is shown that the application of this algorithm results in a fixed point iteration of probabilistic policies that converge to the deterministic optimal policy. Two strategies for policy evaluation are discussed, using state-of-the-art uncertainty quantification methods resulting into two distinct algorithms. The algorithms are structurally closest related to the differential dynamic programming algorithm and related methods that use sigma-point methods to avoid direct gradient evaluations. The main advantage of the algorithms is an improved balance between exploration and exploitation over the iterations, leading to improved numerical stability and accelerated convergence. These properties are demonstrated on different nonlinear systems.
Authors: Feijie Wu, Xingchen Wang, Yaqing Wang, Tianci Liu, Lu Su, Jing Gao
Abstract: In federated learning (FL), accommodating clients' varied computational capacities poses a challenge, often limiting the participation of those with constrained resources in global model training. To address this issue, the concept of model heterogeneity through submodel extraction has emerged, offering a tailored solution that aligns the model's complexity with each client's computational capacity. In this work, we propose Federated Importance-Aware Submodel Extraction (FIARSE), a novel approach that dynamically adjusts submodels based on the importance of model parameters, thereby overcoming the limitations of previous static and dynamic submodel extraction methods. Compared to existing works, the proposed method offers a theoretical foundation for the submodel extraction and eliminates the need for additional information beyond the model parameters themselves to determine parameter importance, significantly reducing the overhead on clients. Extensive experiments are conducted on various datasets to showcase the superior performance of the proposed FIARSE.
Authors: Yupeng Chang, Yi Chang, Yuan Wu
Abstract: Large language models (LLMs) have demonstrated remarkable proficiency across various natural language processing (NLP) tasks. However, adapting LLMs to downstream applications requires computationally intensive and memory-demanding fine-tuning procedures. To alleviate these burdens, parameter-efficient fine-tuning (PEFT) techniques have emerged as a promising approach to tailor LLMs with minimal computational overhead. While PEFT methods offer substantial advantages, they do not fully address the pervasive issue of bias propagation from pre-training data. This work introduces Bias-Alleviating Low-Rank Adaptation (BA-LoRA), a novel PEFT method designed to counteract bias inheritance. BA-LoRA incorporates three distinct regularization terms: (1) a consistency regularizer, (2) a diversity regularizer, and (3) a singular value decomposition regularizer. These regularizers aim to enhance the models' consistency, diversity, and generalization capabilities during fine-tuning. We conduct extensive experiments on natural language understanding (NLU) and natural language generation (NLG) tasks using prominent LLMs such as LLaMA, Mistral, and Gemma. The results demonstrate that BA-LoRA outperforms LoRA and its state-of-the-art variants. Moreover, our method effectively mitigates the adverse effects of pre-training bias, leading to more reliable and robust model outputs. The code is available at https://github.com/cyp-jlu-ai/BA-LoRA.
Authors: Mahindra Rautela, Alan Williams, Alexander Scheinker
Abstract: Charged particle dynamics under the influence of electromagnetic fields is a challenging spatiotemporal problem. Many high performance physics-based simulators for predicting behavior in a charged particle beam are computationally expensive, limiting their utility for solving inverse problems online. The problem of estimating upstream six-dimensional phase space given downstream measurements of charged particles in an accelerator is an inverse problem of growing importance. This paper introduces a reverse Latent Evolution Model (rLEM) designed for temporal inversion of forward beam dynamics. In this two-step self-supervised deep learning framework, we utilize a Conditional Variational Autoencoder (CVAE) to project 6D phase space projections of a charged particle beam into a lower-dimensional latent distribution. Subsequently, we autoregressively learn the inverse temporal dynamics in the latent space using a Long Short-Term Memory (LSTM) network. The coupled CVAE-LSTM framework can predict 6D phase space projections across all upstream accelerating sections based on single or multiple downstream phase space measurements as inputs. The proposed model also captures the aleatoric uncertainty of the high-dimensional input data within the latent space. This uncertainty, which reflects potential uncertain measurements at a given module, is propagated through the LSTM to estimate uncertainty bounds for all upstream predictions, demonstrating the robustness of the LSTM against in-distribution variations in the input data.
Authors: Sharath Turuvekere Sreenivas, Saurav Muralidharan, Raviraj Joshi, Marcin Chochowski, Ameya Sunil Mahabaleshwarkar, Gerald Shen, Jiaqi Zeng, Zijia Chen, Yoshi Suhara, Shizhe Diao, Chenhan Yu, Wei-Chun Chen, Hayley Ross, Oluwatobi Olabiyi, Ashwath Aithal, Oleksii Kuchaiev, Daniel Korzekwa, Pavlo Molchanov, Mostofa Patwary, Mohammad Shoeybi, Jan Kautz, Bryan Catanzaro
Abstract: We present a comprehensive report on compressing the Llama 3.1 8B and Mistral NeMo 12B models to 4B and 8B parameters, respectively, using pruning and distillation. We explore two distinct pruning strategies: (1) depth pruning and (2) joint hidden/attention/MLP (width) pruning, and evaluate the results on common benchmarks from the LM Evaluation Harness. The models are then aligned with NeMo Aligner and tested in instruct-tuned versions. This approach produces a compelling 4B model from Llama 3.1 8B and a state-of-the-art Mistral-NeMo-Minitron-8B (MN-Minitron-8B for brevity) model from Mistral NeMo 12B. We found that with no access to the original data, it is beneficial to slightly fine-tune teacher models on the distillation dataset. We open-source our base model weights on Hugging Face with a permissive license.
Authors: Daniel M. Steinberg, Rafael Oliveira, Cheng Soon Ong, Edwin V. Bonilla
Abstract: We develop variational search distributions (VSD), a method for finding and generating discrete, combinatorial designs of a rare desired class in a batch sequential manner with a fixed experimental budget. We formalize the requirements and desiderata for active generation and formulate a solution via variational inference. In particular, VSD uses off-the-shelf gradient based optimization routines, can learn powerful generative models for designs, and can take advantage of scalable predictive models. We derive asymptotic convergence rates for learning the true conditional generative distribution of designs with certain configurations of our method. After illustrating the generative model on images, we empirically demonstrate that VSD can outperform existing baseline methods on a set of real sequence-design problems in various biological systems.
Authors: Mingxuan Li, Lunwei Zhang, Tiemin Li, Yao Jiang
Abstract: Humans can steadily and gently grasp unfamiliar objects based on tactile perception. Robots still face challenges in achieving similar performance due to the difficulty of learning accurate grasp-force predictions and force control strategies that can be generalized from limited data. In this article, we propose an approach for learning grasping from ideal force control demonstrations, to achieve similar performance of human hands with limited data size. Our approach utilizes objects with known contact characteristics to automatically generate reference force curves without human demonstrations. In addition, we design the dual convolutional neural networks (Dual-CNN) architecture which incorporats a physics-based mechanics module for learning target grasping force predictions from demonstrations. The described method can be effectively applied in vision-based tactile sensors and enables gentle and stable grasping of objects from the ground. The described prediction model and grasping strategy were validated in offline evaluations and online experiments, and the accuracy and generalizability were demonstrated.
Authors: Nikit Srivastava, Denis Kuchelev, Tatiana Moteu Ngoli, Kshitij Shetty, Michael R\"oder, Hamada Zahera, Diego Moussallem, Axel-Cyrille Ngonga Ngomo
Abstract: This paper presents LOLA, a massively multilingual large language model trained on more than 160 languages using a sparse Mixture-of-Experts Transformer architecture. Our architectural and implementation choices address the challenge of harnessing linguistic diversity while maintaining efficiency and avoiding the common pitfalls of multilinguality. Our analysis of the evaluation results shows competitive performance in natural language generation and understanding tasks. Additionally, we demonstrate how the learned expert-routing mechanism exploits implicit phylogenetic linguistic patterns to potentially alleviate the curse of multilinguality. We provide an in-depth look at the training process, an analysis of the datasets, and a balanced exploration of the model's strengths and limitations. As an open-source model, LOLA promotes reproducibility and serves as a robust foundation for future research. Our findings enable the development of compute-efficient multilingual models with strong, scalable performance across languages.
Authors: Ivan DeAndres-Tame, Muhammad Faisal, Ruben Tolosana, Rouqaiah Al-Refai, Ruben Vera-Rodriguez, Philipp Terh\"orst
Abstract: Face Recognition (FR) has advanced significantly with the development of deep learning, achieving high accuracy in several applications. However, the lack of interpretability of these systems raises concerns about their accountability, fairness, and reliability. In the present study, we propose an interactive framework to enhance the explainability of FR models by combining model-agnostic Explainable Artificial Intelligence (XAI) and Natural Language Processing (NLP) techniques. The proposed framework is able to accurately answer various questions of the user through an interactive chatbot. In particular, the explanations generated by our proposed method are in the form of natural language text and visual representations, which for example can describe how different facial regions contribute to the similarity measure between two faces. This is achieved through the automatic analysis of the output's saliency heatmaps of the face images and a BERT question-answering model, providing users with an interface that facilitates a comprehensive understanding of the FR decisions. The proposed approach is interactive, allowing the users to ask questions to get more precise information based on the user's background knowledge. More importantly, in contrast to previous studies, our solution does not decrease the face recognition performance. We demonstrate the effectiveness of the method through different experiments, highlighting its potential to make FR systems more interpretable and user-friendly, especially in sensitive applications where decision-making transparency is crucial.
Authors: Mark Weber, Lijun Yu, Qihang Yu, Xueqing Deng, Xiaohui Shen, Daniel Cremers, Liang-Chieh Chen
Abstract: Masked transformer models for class-conditional image generation have become a compelling alternative to diffusion models. Typically comprising two stages - an initial VQGAN model for transitioning between latent space and image space, and a subsequent Transformer model for image generation within latent space - these frameworks offer promising avenues for image synthesis. In this study, we present two primary contributions: Firstly, an empirical and systematic examination of VQGANs, leading to a modernized VQGAN. Secondly, a novel embedding-free generation network operating directly on bit tokens - a binary quantized representation of tokens with rich semantics. The first contribution furnishes a transparent, reproducible, and high-performing VQGAN model, enhancing accessibility and matching the performance of current state-of-the-art methods while revealing previously undisclosed details. The second contribution demonstrates that embedding-free image generation using bit tokens achieves a new state-of-the-art FID of 1.52 on the ImageNet 256x256 benchmark, with a compact generator model of mere 305M parameters. The code for this project is available on https://github.com/markweberdev/maskbit.
Authors: Gongfan Fang, Hongxu Yin, Saurav Muralidharan, Greg Heinrich, Jeff Pool, Jan Kautz, Pavlo Molchanov, Xinchao Wang
Abstract: Large Language Models (LLMs) are distinguished by their massive parameter counts, which typically result in significant redundancy. This work introduces MaskLLM, a learnable pruning method that establishes Semi-structured (or ``N:M'') Sparsity in LLMs, aimed at reducing computational overhead during inference. Instead of developing a new importance criterion, MaskLLM explicitly models N:M patterns as a learnable distribution through Gumbel Softmax sampling. This approach facilitates end-to-end training on large-scale datasets and offers two notable advantages: 1) High-quality Masks - our method effectively scales to large datasets and learns accurate masks; 2) Transferability - the probabilistic modeling of mask distribution enables the transfer learning of sparsity across domains or tasks. We assessed MaskLLM using 2:4 sparsity on various LLMs, including LLaMA-2, Nemotron-4, and GPT-3, with sizes ranging from 843M to 15B parameters, and our empirical results show substantial improvements over state-of-the-art methods. For instance, leading approaches achieve a perplexity (PPL) of 10 or greater on Wikitext compared to the dense model's 5.12 PPL, but MaskLLM achieves a significantly lower 6.72 PPL solely by learning the masks with frozen weights. Furthermore, MaskLLM's learnable nature allows customized masks for lossless application of 2:4 sparsity to downstream tasks or domains. Code is available at https://github.com/NVlabs/MaskLLM.
Authors: Wumei Du, Dong Liang, Yiqin Lv, Xingxing Liang, Guanlin Wu, Qi Wang, Zheng Xie
Abstract: Internet services have led to the eruption of network traffic, and machine learning on these Internet data has become an indispensable tool, especially when the application is risk-sensitive. This paper focuses on network traffic classification in the presence of class imbalance, which fundamentally and ubiquitously exists in Internet data analysis. This existence of class imbalance mostly drifts the optimal decision boundary and results in a less optimal solution. This brings severe safety concerns in the network traffic field when pattern recognition is challenging with numerous minority malicious classes. To alleviate these effects, we design a \textit{group \& reweight} strategy for alleviating the class imbalance. Inspired by the group distributionally optimization framework, our approach heuristically clusters classes into groups, iteratively updates the non-parametric weights for separate classes and optimizes the learning model by minimizing reweighted losses. We theoretically interpret the optimization process from a Stackelberg game and perform extensive experiments on typical benchmarks. Results show that our approach can not only suppress the negative effect of class imbalance but also improve the comprehensive performance in prediction.
Authors: Qiushuo Hou, Sangwoo Park, Matteo Zecchin, Yunlong Cai, Guanding Yu, Osvaldo Simeone
Abstract: In modern wireless network architectures, such as Open Radio Access Network (O-RAN), the operation of the radio access network (RAN) is managed by applications, or apps for short, deployed at intelligent controllers. These apps are selected from a given catalog based on current contextual information. For instance, a scheduling app may be selected on the basis of current traffic and network conditions. Once an app is chosen and run, it is no longer possible to directly test the key performance indicators (KPIs) that would have been obtained with another app. In other words, we can never simultaneously observe both the actual KPI, obtained by the selected app, and the counterfactual KPI, which would have been attained with another app, for the same network condition, making individual-level counterfactual KPIs analysis particularly challenging. This what-if analysis, however, would be valuable to monitor and optimize the network operation, e.g., to identify suboptimal app selection strategies. This paper addresses the problem of estimating the values of KPIs that would have been obtained if a different app had been implemented by the RAN. To this end, we propose a conformal-prediction-based counterfactual analysis method for wireless systems that provides reliable error bars for the estimated KPIs, despite the inherent covariate shift between logged and test data. Experimental results for medium access control-layer apps and for physical-layer apps demonstrate the merits of the proposed method.
Authors: Yi Cheng, Xiao Liang, Yeyun Gong, Wen Xiao, Song Wang, Yuji Zhang, Wenjun Hou, Kaishuai Xu, Wenge Liu, Wenjie Li, Jian Jiao, Qi Chen, Peng Cheng, Wayne Xiong
Abstract: Self-consistency-based approaches, which involve repeatedly sampling multiple outputs and selecting the most consistent one as the final response, prove to be remarkably effective in improving the factual accuracy of large language models. Nonetheless, existing methods usually have strict constraints on the task format, largely limiting their applicability. In this paper, we present Integrative Decoding (ID), to unlock the potential of self-consistency in open-ended generation tasks. ID operates by constructing a set of inputs, each prepended with a previously sampled response, and then processes them concurrently, with the next token being selected by aggregating of all their corresponding predictions at each decoding step. In essence, this simple approach implicitly incorporates self-consistency in the decoding objective. Extensive evaluation shows that ID consistently enhances factuality over a wide range of language models, with substantial improvements on the TruthfulQA (+11.2%), Biographies (+15.4%) and LongFact (+8.5%) benchmarks. The performance gains amplify progressively as the number of sampled responses increases, indicating the potential of ID to scale up with repeated sampling.
Authors: Dohun Lee, Bryan S Kim, Geon Yeong Park, Jong Chul Ye
Abstract: Text-to-image (T2I) diffusion models have revolutionized visual content creation, but extending these capabilities to text-to-video (T2V) generation remains a challenge, particularly in preserving temporal consistency. Existing methods that aim to improve consistency often cause trade-offs such as reduced imaging quality and impractical computational time. To address these issues we introduce VideoGuide, a novel framework that enhances the temporal consistency of pretrained T2V models without the need for additional training or fine-tuning. Instead, VideoGuide leverages any pretrained video diffusion model (VDM) or itself as a guide during the early stages of inference, improving temporal quality by interpolating the guiding model's denoised samples into the sampling model's denoising process. The proposed method brings about significant improvement in temporal consistency and image fidelity, providing a cost-effective and practical solution that synergizes the strengths of various video diffusion models. Furthermore, we demonstrate prior distillation, revealing that base models can achieve enhanced text coherence by utilizing the superior data prior of the guiding model through the proposed method. Project Page: https://dohunlee1.github.io/videoguide.github.io/
Authors: Xiaomin Li, Mingye Gao, Zhiwei Zhang, Chang Yue, Hong Hu
Abstract: The quality of training data significantly impacts the performance of large language models (LLMs). There are increasing studies using LLMs to rate and select data based on several human-crafted metrics (rules). However, these conventional rule-based approaches often depend too heavily on human heuristics, lack effective metrics for assessing rules, and exhibit limited adaptability to new tasks. In our study, we introduce an innovative rule-based framework that utilizes the orthogonality of score vectors associated with rules as a novel metric for rule evaluations. Our approach includes an automated pipeline that first uses LLMs to generate a diverse set of rules, encompassing various rating dimensions to evaluate data quality. Then it rates a batch of data based on these rules and uses the determinantal point process (DPP) from random matrix theory to select the most orthogonal score vectors, thereby identifying a set of independent rules. These rules are subsequently used to evaluate all data, selecting samples with the highest average scores for downstream tasks such as LLM training. We verify the effectiveness of our method through two experimental setups: 1) comparisons with ground truth ratings and 2) benchmarking LLMs trained with the chosen data. Our comprehensive experiments cover a range of scenarios, including general pre-training and domain-specific fine-tuning in areas such as IMDB, Medical, Math, and Code. The outcomes demonstrate that our DPP-based rule rating method consistently outperforms other approaches, including rule-free rating, uniform sampling, importance resampling, and QuRating, in terms of both rating precision and model performance.
Authors: Zengwei Yao, Wei Kang, Xiaoyu Yang, Fangjun Kuang, Liyong Guo, Han Zhu, Zengrui Jin, Zhaoqing Li, Long Lin, Daniel Povey
Abstract: Connectionist Temporal Classification (CTC) is a widely used method for automatic speech recognition (ASR), renowned for its simplicity and computational efficiency. However, it often falls short in recognition performance. In this work, we propose the Consistency-Regularized CTC (CR-CTC), which enforces consistency between two CTC distributions obtained from different augmented views of the input speech mel-spectrogram. We provide in-depth insights into its essential behaviors from three perspectives: 1) it conducts self-distillation between random pairs of sub-models that process different augmented views; 2) it learns contextual representation through masked prediction for positions within time-masked regions, especially when we increase the amount of time masking; 3) it suppresses the extremely peaky CTC distributions, thereby reducing overfitting and improving the generalization ability. Extensive experiments on LibriSpeech, Aishell-1, and GigaSpeech datasets demonstrate the effectiveness of our CR-CTC. It significantly improves the CTC performance, achieving state-of-the-art results comparable to those attained by transducer or systems combining CTC and attention-based encoder-decoder (CTC/AED). We release our code at \url{https://github.com/k2-fsa/icefall}.
Authors: Max Hamilton, Christian Lange, Elijah Cole, Alexander Shepard, Samuel Heinrich, Oisin Mac Aodha, Grant Van Horn, Subhransu Maji
Abstract: Species range maps (SRMs) are essential tools for research and policy-making in ecology, conservation, and environmental management. However, traditional SRMs rely on the availability of environmental covariates and high-quality species location observation data, both of which can be challenging to obtain due to geographic inaccessibility and resource constraints. We propose a novel approach combining millions of citizen science species observations with textual descriptions from Wikipedia, covering habitat preferences and range descriptions for tens of thousands of species. Our framework maps locations, species, and text descriptions into a common space, facilitating the learning of rich spatial covariates at a global scale and enabling zero-shot range estimation from textual descriptions. Evaluated on held-out species, our zero-shot SRMs significantly outperform baselines and match the performance of SRMs obtained using tens of observations. Our approach also acts as a strong prior when combined with observational data, resulting in more accurate range estimation with less data. We present extensive quantitative and qualitative analyses of the learned representations in the context of range estimation and other spatial tasks, demonstrating the effectiveness of our approach.
Authors: Noam Levi
Abstract: Neural scaling laws have garnered significant interest due to their ability to predict model performance as a function of increasing parameters, data, and compute. In this work, we propose a simple statistical ansatz based on memorization to study scaling laws in the context of inference, specifically how performance improves with multiple inference attempts. We explore the coverage, or pass@k metric, which measures the chance of success over repeated attempts and provide a motivation for the observed functional form of the inference scaling behavior of the coverage in large language models (LLMs) on reasoning tasks. We then define an "inference loss", which exhibits a power law decay as the number of trials increases, and connect this result with prompting costs. We further test our construction by conducting experiments on a simple generative model, and find that our predictions are in agreement with the empirical coverage curves in a controlled setting. Our simple framework sets the ground for incorporating inference scaling with other known scaling laws.
Authors: Hao Bai, Yi Ma
Abstract: Neurons in auto-regressive language models like GPT-2 can be interpreted by analyzing their activation patterns. Recent studies have shown that techniques such as dictionary learning, a form of post-hoc sparse coding, enhance this neuron-level interpretability. In our research, we are driven by the goal to fundamentally improve neural network interpretability by embedding sparse coding directly within the model architecture, rather than applying it as an afterthought. In our study, we introduce a white-box transformer-like architecture named Coding RAte TransformEr (CRATE), explicitly engineered to capture sparse, low-dimensional structures within data distributions. Our comprehensive experiments showcase significant improvements (up to 103% relative improvement) in neuron-level interpretability across a variety of evaluation metrics. Detailed investigations confirm that this enhanced interpretability is steady across different layers irrespective of the model size, underlining CRATE's robust performance in enhancing neural network interpretability. Further analysis shows that CRATE's increased interpretability comes from its enhanced ability to consistently and distinctively activate on relevant tokens. These findings point towards a promising direction for creating white-box foundation models that excel in neuron-level interpretation.
Authors: Daqian Bao, Alex Saad-Falcon, Justin Romberg
Abstract: Data acquisition in array signal processing (ASP) is costly because achieving high angular and range resolutions necessitates large antenna apertures and wide frequency bandwidths, respectively. The data requirements for ASP problems grow multiplicatively with the number of viewpoints and frequencies, significantly increasing the burden of data collection, even for simulation. Implicit Neural Representations (INRs) -- neural network-based models of 3D objects and scenes -- offer compact and continuous representations with minimal radar data. They can interpolate to unseen viewpoints and potentially address the sampling cost in ASP problems. In this work, we select Synthetic Aperture Radar (SAR) as a case from ASP and propose Radon Implicit Field Transform (RIFT). RIFT consists of two components: a classical forward model for radar (Generalized Radon Transform, GRT), and an INR based scene representation learned from radar signals. This method can be extended to other ASP problems by replacing the GRT with appropriate algorithms corresponding to different data modalities. In our experiments, we first synthesize radar data using the GRT. We then train the INR model on this synthetic data by minimizing the reconstruction error of the radar signal. After training, we render the scene using the trained INR and evaluate our scene representation against the ground truth scene. Due to the lack of existing benchmarks, we introduce two main new error metrics: phase-Root Mean Square Error (p-RMSE) for radar signal interpolation, and magnitude-Structural Similarity Index measure(m-SSIM) for scene reconstruction. These metrics adapt traditional error measures to account for the complex nature of radar signals. Compared to traditional scene models in radar signal processing, with only 10% data footprint, our RIFT model achieves up to 188% improvement in scene reconstruction.
Authors: Pranav Guruprasad, Harshvardhan Sikka, Jaewoo Song, Yangyue Wang, Paul Pu Liang
Abstract: Vision-language-action (VLA) models represent a promising direction for developing general-purpose robotic systems, demonstrating the ability to combine visual understanding, language comprehension, and action generation. However, systematic evaluation of these models across diverse robotic tasks remains limited. In this work, we present a comprehensive evaluation framework and benchmark suite for assessing VLA models. We profile three state-of-the-art VLM and VLAs - GPT-4o, OpenVLA, and JAT - across 20 diverse datasets from the Open-X-Embodiment collection, evaluating their performance on various manipulation tasks. Our analysis reveals several key insights: 1. current VLA models show significant variation in performance across different tasks and robot platforms, with GPT-4o demonstrating the most consistent performance through sophisticated prompt engineering, 2. all models struggle with complex manipulation tasks requiring multi-step planning, and 3. model performance is notably sensitive to action space characteristics and environmental factors. We release our evaluation framework and findings to facilitate systematic assessment of future VLA models and identify critical areas for improvement in the development of general purpose robotic systems.
Authors: Zhi Zhang, Carlos Misael Madrid Padilla, Xiaokai Luo, Daren Wang, Oscar Hernan Madrid Padilla
Abstract: In this paper, we focus on fully connected deep neural networks utilizing the Rectified Linear Unit (ReLU) activation function for nonparametric estimation. We derive non-asymptotic bounds that lead to convergence rates, addressing both temporal and spatial dependence in the observed measurements. By accounting for dependencies across time and space, our models better reflect the complexities of real-world data, enhancing both predictive performance and theoretical robustness. We also tackle the curse of dimensionality by modeling the data on a manifold, exploring the intrinsic dimensionality of high-dimensional data. We broaden existing theoretical findings of temporal-spatial analysis by applying them to neural networks in more general contexts and demonstrate that our proof techniques are effective for models with short-range dependence. Our empirical simulations across various synthetic response functions underscore the superior performance of our method, outperforming established approaches in the existing literature. These findings provide valuable insights into the strong capabilities of dense neural networks for temporal-spatial modeling across a broad range of function classes.
Authors: Ryoma Yataka, Adriano Cardace, Pu Perry Wang, Petros Boufounos, Ryuhei Takahashi
Abstract: Indoor radar perception has seen rising interest due to affordable costs driven by emerging automotive imaging radar developments and the benefits of reduced privacy concerns and reliability under hazardous conditions (e.g., fire and smoke). However, existing radar perception pipelines fail to account for distinctive characteristics of the multi-view radar setting. In this paper, we propose Radar dEtection TRansformer (RETR), an extension of the popular DETR architecture, tailored for multi-view radar perception. RETR inherits the advantages of DETR, eliminating the need for hand-crafted components for object detection and segmentation in the image plane. More importantly, RETR incorporates carefully designed modifications such as 1) depth-prioritized feature similarity via a tunable positional encoding (TPE); 2) a tri-plane loss from both radar and camera coordinates; and 3) a learnable radar-to-camera transformation via reparameterization, to account for the unique multi-view radar setting. Evaluated on two indoor radar perception datasets, our approach outperforms existing state-of-the-art methods by a margin of 15.38+ AP for object detection and 11.91+ IoU for instance segmentation, respectively.
Authors: Hugo Carneiro, Stefan Wermter
Abstract: Active speaker detection (ASD) in multimodal environments is crucial for various applications, from video conferencing to human-robot interaction. This paper introduces FabuLight-ASD, an advanced ASD model that integrates facial, audio, and body pose information to enhance detection accuracy and robustness. Our model builds upon the existing Light-ASD framework by incorporating human pose data, represented through skeleton graphs, which minimises computational overhead. Using the Wilder Active Speaker Detection (WASD) dataset, renowned for reliable face and body bounding box annotations, we demonstrate FabuLight-ASD's effectiveness in real-world scenarios. Achieving an overall mean average precision (mAP) of 94.3%, FabuLight-ASD outperforms Light-ASD, which has an overall mAP of 93.7% across various challenging scenarios. The incorporation of body pose information shows a particularly advantageous impact, with notable improvements in mAP observed in scenarios with speech impairment, face occlusion, and human voice background noise. Furthermore, efficiency analysis indicates only a modest increase in parameter count (27.3%) and multiply-accumulate operations (up to 2.4%), underscoring the model's efficiency and feasibility. These findings validate the efficacy of FabuLight-ASD in enhancing ASD performance through the integration of body pose data. FabuLight-ASD's code and model weights are available at https://github.com/knowledgetechnologyuhh/FabuLight-ASD.
URLs: https://github.com/knowledgetechnologyuhh/FabuLight-ASD.
Authors: Jiahao Wang, Mingyue Cheng, Qingyang Mao, Qi Liu, Feiyang Xu, Xin Li, Enhong Chen
Abstract: Large language models (LLMs) have demonstrated their effectiveness in multivariate time series classification (MTSC). Effective adaptation of LLMs for MTSC necessitates informative data representations. Existing LLM-based methods directly encode embeddings for time series within the latent space of LLMs from scratch to align with semantic space of LLMs. Despite their effectiveness, we reveal that these methods conceal three inherent bottlenecks: (1) they struggle to encode temporal and channel-specific information in a lossless manner, both of which are critical components of multivariate time series; (2) it is much difficult to align the learned representation space with the semantic space of the LLMs; (3) they require task-specific retraining, which is both computationally expensive and labor-intensive. To bridge these gaps, we propose TableTime, which reformulates MTSC as a table understanding task. Specifically, TableTime introduces the following strategies: (1) convert multivariate time series into a tabular form, thus minimizing information loss to the greatest extent; (2) represent tabular time series in text format to achieve natural alignment with the semantic space of LLMs; (3) design a reasoning framework that integrates contextual text information, neighborhood assistance, multi-path inference and problem decomposition to enhance the reasoning ability of LLMs and realize zero-shot classification. Extensive experiments performed on 10 publicly representative datasets from UEA archive verify the superiorities of the TableTime.
Authors: Zhixuan Liang, Yao Mu, Yixiao Wang, Tianxing Chen, Wenqi Shao, Wei Zhan, Masayoshi Tomizuka, Ping Luo, Mingyu Ding
Abstract: Dexterous manipulation with contact-rich interactions is crucial for advanced robotics. While recent diffusion-based planning approaches show promise for simpler manipulation tasks, they often produce unrealistic ghost states (e.g., the object automatically moves without hand contact) or lack adaptability when handling complex sequential interactions. In this work, we introduce DexDiffuser, an interaction-aware diffusion planning framework for adaptive dexterous manipulation. DexDiffuser models joint state-action dynamics through a dual-phase diffusion process which consists of pre-interaction contact alignment and post-contact goal-directed control, enabling goal-adaptive generalizable dexterous manipulation. Additionally, we incorporate dynamics model-based dual guidance and leverage large language models for automated guidance function generation, enhancing generalizability for physical interactions and facilitating diverse goal adaptation through language cues. Experiments on physical interaction tasks such as door opening, pen and block re-orientation, and hammer striking demonstrate DexDiffuser's effectiveness on goals outside training distributions, achieving over twice the average success rate (59.2% vs. 29.5%) compared to existing methods. Our framework achieves 70.0% success on 30-degree door opening, 40.0% and 36.7% on pen and block half-side re-orientation respectively, and 46.7% on hammer nail half drive, highlighting its robustness and flexibility in contact-rich manipulation.
Authors: Kaixin Wu, Yixin Ji, Zeyuan Chen, Qiang Wang, Cunxiang Wang, Hong Liu, Baijun Ji, Jia Xu, Zhongyi Liu, Jinjie Gu, Yuan Zhou, Linjian Mo
Abstract: Relevance modeling between queries and items stands as a pivotal component in commercial search engines, directly affecting the user experience. Given the remarkable achievements of large language models (LLMs) in various natural language processing (NLP) tasks, LLM-based relevance modeling is gradually being adopted within industrial search systems. Nevertheless, foundational LLMs lack domain-specific knowledge and do not fully exploit the potential of in-context learning. Furthermore, structured item text remains underutilized, and there is a shortage in the supply of corresponding queries and background knowledge. We thereby propose CPRM (Continual Pre-training for Relevance Modeling), a framework designed for the continual pre-training of LLMs to address these issues. Our CPRM framework includes three modules: 1) employing both queries and multi-field item to jointly pre-train for enhancing domain knowledge, 2) applying in-context pre-training, a novel approach where LLMs are pre-trained on a sequence of related queries or items, and 3) conducting reading comprehension on items to produce associated domain knowledge and background information (e.g., generating summaries and corresponding queries) to further strengthen LLMs. Results on offline experiments and online A/B testing demonstrate that our model achieves convincing performance compared to strong baselines.
Authors: Maayan Ziv, Eli Galanti, Saburo Howard, Tristan Guillot, Yohai Kaspi
Abstract: The internal structure of Jupiter is constrained by the precise gravity field measurements by NASA's Juno mission, atmospheric data from the Galileo entry probe, and Voyager radio occultations. Not only are these observations few compared to the possible interior setups and their multiple controlling parameters, but they remain challenging to reconcile. As a complex, multidimensional problem, characterizing typical structures can help simplify the modeling process. We used NeuralCMS, a deep learning model based on the accurate concentric Maclaurin spheroid (CMS) method, coupled with a fully consistent wind model to efficiently explore a wide range of interior models without prior assumptions. We then identified those consistent with the measurements and clustered the plausible combinations of parameters controlling the interior. We determine the plausible ranges of internal structures and the dynamical contributions to Jupiter's gravity field. Four typical interior structures are identified, characterized by their envelope and core properties. This reduces the dimensionality of Jupiter's interior to only two effective parameters. Within the reduced 2D phase space, we show that the most observationally constrained structures fall within one of the key structures, but they require a higher 1 bar temperature than the observed value. We provide a robust framework for characterizing giant planet interiors with consistent wind treatment, demonstrating that for Jupiter, wind constraints strongly impact the gravity harmonics while the interior parameter distribution remains largely unchanged. Importantly, we find that Jupiter's interior can be described by two effective parameters that clearly distinguish the four characteristic structures and conclude that atmospheric measurements may not fully represent the entire envelope.
Authors: Gustavo P. C. P. da Luz, Gabriel Massuyoshi Sato, Luis Fernando Gomez Gonzalez, Juliana Freitag Borin
Abstract: The increasing urbanization and the growing number of vehicles in cities have underscored the need for efficient parking management systems. Traditional smart parking solutions often rely on sensors or cameras for occupancy detection, each with its limitations. Recent advancements in deep learning have introduced new YOLO models (YOLOv8, YOLOv9, YOLOv10, and YOLOv11), but these models have not been extensively evaluated in the context of smart parking systems, particularly when combined with Region of Interest (ROI) selection for object detection. Existing methods still rely on fixed polygonal ROI selections or simple pixel-based modifications, which limit flexibility and precision. This work introduces a novel approach that integrates Internet of Things, Edge Computing, and Deep Learning concepts, by using the latest YOLO models for vehicle detection. By exploring both edge and cloud computing, it was found that inference times on edge devices ranged from 1 to 92 seconds, depending on the hardware and model version. Additionally, a new pixel-wise post-processing ROI selection method is proposed for accurately identifying regions of interest to count vehicles in parking lot images. The proposed system achieved 99.68% balanced accuracy on a custom dataset of 3,484 images, offering a cost-effective smart parking solution that ensures precise vehicle detection while preserving data privacy
Authors: Marzieh Mohammadi, Amir Salarpour
Abstract: This paper introduces Point-GN, a novel non-parametric network for efficient and accurate 3D point cloud classification. Unlike conventional deep learning models that rely on a large number of trainable parameters, Point-GN leverages non-learnable components-specifically, Farthest Point Sampling (FPS), k-Nearest Neighbors (k-NN), and Gaussian Positional Encoding (GPE)-to extract both local and global geometric features. This design eliminates the need for additional training while maintaining high performance, making Point-GN particularly suited for real-time, resource-constrained applications. We evaluate Point-GN on two benchmark datasets, ModelNet40 and ScanObjectNN, achieving classification accuracies of 85.29% and 85.89%, respectively, while significantly reducing computational complexity. Point-GN outperforms existing non-parametric methods and matches the performance of fully trained models, all with zero learnable parameters. Our results demonstrate that Point-GN is a promising solution for 3D point cloud classification in practical, real-time environments.
Authors: Kuei-Chun Kao
Abstract: Recently, CLIP has become an important model for aligning images and text in multi-modal contexts. However, researchers have identified limitations in the ability of CLIP's text and image encoders to extract detailed knowledge from pairs of captions and images. In response, this paper presents Knowledge-CLIP, an innovative approach designed to improve CLIP's performance by integrating a new knowledge distillation (KD) method based on Llama 2. Our approach focuses on three key objectives: Text Embedding Distillation, Concept Learning, and Contrastive Learning. First, Text Embedding Distillation involves training the Knowledge-CLIP text encoder to mirror the teacher model, Llama 2. Next, Concept Learning assigns a soft concept label to each caption-image pair by employing offline K-means clustering on text data from Llama 2, enabling Knowledge-CLIP to learn from these soft concept labels. Lastly, Contrastive Learning aligns the text and image embeddings. Our experimental findings show that the proposed model improves the performance of both text and image encoders.
Authors: Mahtab Bigverdi, Zelun Luo, Cheng-Yu Hsieh, Ethan Shen, Dongping Chen, Linda G. Shapiro, Ranjay Krishna
Abstract: Multimodal language models (MLMs) still face challenges in fundamental visual perception tasks where specialized models excel. Tasks requiring reasoning about 3D structures benefit from depth estimation, and reasoning about 2D object instances benefits from object detection. Yet, MLMs can not produce intermediate depth or boxes to reason over. Finetuning MLMs on relevant data doesn't generalize well and outsourcing computation to specialized vision tools is too compute-intensive and memory-inefficient. To address this, we introduce Perception Tokens, intrinsic image representations designed to assist reasoning tasks where language is insufficient. Perception tokens act as auxiliary reasoning tokens, akin to chain-of-thought prompts in language models. For example, in a depth-related task, an MLM augmented with perception tokens can reason by generating a depth map as tokens, enabling it to solve the problem effectively. We propose AURORA, a training method that augments MLMs with perception tokens for improved reasoning over visual inputs. AURORA leverages a VQVAE to transform intermediate image representations, such as depth maps into a tokenized format and bounding box tokens, which is then used in a multi-task training framework. AURORA achieves notable improvements across counting benchmarks: +10.8% on BLINK, +11.3% on CVBench, and +8.3% on SEED-Bench, outperforming finetuning approaches in generalization across datasets. It also improves on relative depth: over +6% on BLINK. With perception tokens, AURORA expands the scope of MLMs beyond language-based reasoning, paving the way for more effective visual reasoning capabilities.
Authors: Aaron Wang, Abhijith Gandrakota, Jennifer Ngadiuba, Vivekanand Sahu, Priyansh Bhatnagar, Elham E Khoda, Javier Duarte
Abstract: Machine learning (ML) algorithms, particularly attention-based transformer models, have become indispensable for analyzing the vast data generated by particle physics experiments like ATLAS and CMS at the CERN LHC. Particle Transformer (ParT), a state-of-the-art model, leverages particle-level attention to improve jet-tagging tasks, which are critical for identifying particles resulting from proton collisions. This study focuses on interpreting ParT by analyzing attention heat maps and particle-pair correlations on the $\eta$-$\phi$ plane, revealing a binary attention pattern where each particle attends to at most one other particle. At the same time, we observe that ParT shows varying focus on important particles and subjets depending on decay, indicating that the model learns traditional jet substructure observables. These insights enhance our understanding of the model's internal workings and learning process, offering potential avenues for improving the efficiency of transformer architectures in future high-energy physics applications.
Authors: Behrad Moniri, Hamed Hassani
Abstract: In this paper we study the asymptotics of linear regression in settings with non-Gaussian covariates where the covariates exhibit a linear dependency structure, departing from the standard assumption of independence. We model the covariates using stochastic processes with spatio-temporal covariance and analyze the performance of ridge regression in the high-dimensional proportional regime, where the number of samples and feature dimensions grow proportionally. A Gaussian universality theorem is proven, demonstrating that the asymptotics are invariant under replacing the non-Gaussian covariates with Gaussian vectors preserving mean and covariance, for which tools from random matrix theory can be used to derive precise characterizations of the estimation error. The estimation error is characterized by a fixed-point equation involving the spectral properties of the spatio-temporal covariance matrices, enabling efficient computation. We then study optimal regularization, overparameterization, and the double descent phenomenon in the context of dependent data. Simulations validate our theoretical predictions, shedding light on how dependencies influence estimation error and the choice of regularization parameters.
Authors: Taehyeun Kim, Anouck Girard, Ilya Kolmanovsky
Abstract: The paper considers a Constrained-Informed Neural Network (CINN) approximation for the Time Shift Governor (TSG), which is an add-on scheme to the nominal closed-loop system used to enforce constraints by time-shifting the reference trajectory in spacecraft rendezvous applications. We incorporate Kolmogorov-Arnold Networks (KANs), an emerging architecture in the AI community, as a fundamental component of CINN and propose a Constrained-Informed Kolmogorov-Arnold Network (CIKAN)-based approximation for TSG. We demonstrate the effectiveness of the CIKAN-based TSG through simulations of constrained spacecraft rendezvous missions on highly elliptic orbits and present comparisons between CIKANs, MLP-based CINNs, and the conventional TSG.
Authors: Andrew Kyle Lampinen, Stephanie C. Y. Chan, Aaditya K. Singh, Murray Shanahan
Abstract: The ability of language models to learn a task from a few examples in context has generated substantial interest. Here, we provide a perspective that situates this type of supervised few-shot learning within a much broader spectrum of meta-learned in-context learning. Indeed, we suggest that any distribution of sequences in which context non-trivially decreases loss on subsequent predictions can be interpreted as eliciting a kind of in-context learning. We suggest that this perspective helps to unify the broad set of in-context abilities that language models exhibit $\unicode{x2014}$ such as adapting to tasks from instructions or role play, or extrapolating time series. This perspective also sheds light on potential roots of in-context learning in lower-level processing of linguistic dependencies (e.g. coreference or parallel structures). Finally, taking this perspective highlights the importance of generalization, which we suggest can be studied along several dimensions: not only the ability to learn something novel, but also flexibility in learning from different presentations, and in applying what is learned. We discuss broader connections to past literature in meta-learning and goal-conditioned agents, and other perspectives on learning and adaptation. We close by suggesting that research on in-context learning should consider this broader spectrum of in-context capabilities and types of generalization.
Authors: Vaishali Vinay, Anjali Mangal
Abstract: As command-line interfaces remain integral to high-performance computing environments, the risk of exploitation through stealthy and complex command-line abuse grows. Conventional security solutions struggle to detect these anomalies due to their context-specific nature, lack of labeled data, and the prevalence of sophisticated attacks like Living-off-the-Land (LOL). To address this gap, we introduce the Scalable Command-Line Anomaly Detection Engine (SCADE), a framework that combines global statistical models with local context-specific analysis for unsupervised anomaly detection. SCADE leverages novel statistical methods, including BM25 and Log Entropy, alongside dynamic thresholding to adaptively detect rare, malicious command-line patterns in low signal-to-noise ratio (SNR) environments. Experimental results show that SCADE achieves above 98% SNR in identifying anomalous behavior while minimizing false positives. Designed for scalability and precision, SCADE provides an innovative, metadata-enriched approach to anomaly detection, offering a robust solution for cybersecurity in high-computation environments. This work presents SCADE's architecture, detection methodology, and its potential for enhancing anomaly detection in enterprise systems. We argue that SCADE represents a significant advancement in unsupervised anomaly detection, offering a robust, adaptive framework for security analysts and researchers seeking to enhance detection accuracy in high-computation environments.
Authors: Enshen Zhou, Qi Su, Cheng Chi, Zhizheng Zhang, Zhongyuan Wang, Tiejun Huang, Lu Sheng, He Wang
Abstract: Automatic detection and prevention of open-set failures are crucial in closed-loop robotic systems. Recent studies often struggle to simultaneously identify unexpected failures reactively after they occur and prevent foreseeable ones proactively. To this end, we propose Code-as-Monitor (CaM), a novel paradigm leveraging the vision-language model (VLM) for both open-set reactive and proactive failure detection. The core of our method is to formulate both tasks as a unified set of spatio-temporal constraint satisfaction problems and use VLM-generated code to evaluate them for real-time monitoring. To enhance the accuracy and efficiency of monitoring, we further introduce constraint elements that abstract constraint-related entities or their parts into compact geometric elements. This approach offers greater generality, simplifies tracking, and facilitates constraint-aware visual programming by leveraging these elements as visual prompts. Experiments show that CaM achieves a 28.7% higher success rate and reduces execution time by 31.8% under severe disturbances compared to baselines across three simulators and a real-world setting. Moreover, CaM can be integrated with open-loop control policies to form closed-loop systems, enabling long-horizon tasks in cluttered scenes with dynamic environments.
Authors: Gaurav Shrivastava, Abhinav Shrivastava
Abstract: Diffusion models have made significant strides in image generation, mastering tasks such as unconditional image synthesis, text-image translation, and image-to-image conversions. However, their capability falls short in the realm of video prediction, mainly because they treat videos as a collection of independent images, relying on external constraints such as temporal attention mechanisms to enforce temporal coherence. In our paper, we introduce a novel model class, that treats video as a continuous multi-dimensional process rather than a series of discrete frames. We also report a reduction of 75\% sampling steps required to sample a new frame thus making our framework more efficient during the inference time. Through extensive experimentation, we establish state-of-the-art performance in video prediction, validated on benchmark datasets including KTH, BAIR, Human3.6M, and UCF101. Navigate to the project page https://www.cs.umd.edu/~gauravsh/cvp/supp/website.html for video results.
URLs: https://www.cs.umd.edu/
Authors: Gaurav Shrivastava, Ser-Nam Lim, Abhinav Shrivastava
Abstract: In the evolving landscape of video enhancement and editing methodologies, a majority of deep learning techniques often rely on extensive datasets of observed input and ground truth sequence pairs for optimal performance. Such reliance often falters when acquiring data becomes challenging, especially in tasks like video dehazing and relighting, where replicating identical motions and camera angles in both corrupted and ground truth sequences is complicated. Moreover, these conventional methodologies perform best when the test distribution closely mirrors the training distribution. Recognizing these challenges, this paper introduces a novel video decomposition prior `VDP' framework which derives inspiration from professional video editing practices. Our methodology does not mandate task-specific external data corpus collection, instead pivots to utilizing the motion and appearance of the input video. VDP framework decomposes a video sequence into a set of multiple RGB layers and associated opacity levels. These set of layers are then manipulated individually to obtain the desired results. We addresses tasks such as video object segmentation, dehazing, and relighting. Moreover, we introduce a novel logarithmic video decomposition formulation for video relighting tasks, setting a new benchmark over the existing methodologies. We observe the property of relighting emerge as we optimize for our novel relighting decomposition formulation. We evaluate our approach on standard video datasets like DAVIS, REVIDE, & SDSD and show qualitative results on a diverse array of internet videos. Project Page - https://www.cs.umd.edu/~gauravsh/video_decomposition/index.html for video results.
URLs: https://www.cs.umd.edu/