Authors: Lynn Chua, Badih Ghazi, Pritish Kamath, Ravi Kumar, Pasin Manurangsi, Amer Sinha, Chiyuan Zhang
Abstract: We provide new lower bounds on the privacy guarantee of the multi-epoch Adaptive Batch Linear Queries (ABLQ) mechanism with shuffled batch sampling, demonstrating substantial gaps when compared to Poisson subsampling; prior analysis was limited to a single epoch. Since the privacy analysis of Differentially Private Stochastic Gradient Descent (DP-SGD) is obtained by analyzing the ABLQ mechanism, this brings into serious question the common practice of implementing shuffling-based DP-SGD, but reporting privacy parameters as if Poisson subsampling was used. To understand the impact of this gap on the utility of trained machine learning models, we introduce a practical approach to implement Poisson subsampling at scale using massively parallel computation, and efficiently train models with the same. We compare the utility of models trained with Poisson-subsampling-based DP-SGD, and the optimistic estimates of utility when using shuffling, via our new lower bounds on the privacy guarantee of ABLQ with shuffling.
Authors: Ruhan Wang, Ye Wang, Jing Liu, Toshiaki Koike-Akino
Abstract: Modern quantum machine learning (QML) methods involve the variational optimization of parameterized quantum circuits on training datasets, followed by predictions on testing datasets. Most state-of-the-art QML algorithms currently lack practical advantages due to their limited learning capabilities, especially in few-shot learning tasks. In this work, we propose three new frameworks employing quantum diffusion model (QDM) as a solution for the few-shot learning: label-guided generation inference (LGGI); label-guided denoising inference (LGDI); and label-guided noise addition inference (LGNAI). Experimental results demonstrate that our proposed algorithms significantly outperform existing methods.
Authors: Zhao Xu, Haiyang Yu, Montgomery Bohde, Shuiwang Ji
Abstract: Recent advancements in equivariant deep models have shown promise in accurately predicting atomic potentials and force fields in molecular dynamics simulations. Using spherical harmonics (SH) and tensor products (TP), these equivariant networks gain enhanced physical understanding, like symmetries and many-body interactions. Beyond encoding physical insights, SH and TP are also crucial to represent equivariant polynomial functions. In this work, we analyze the equivariant polynomial functions for the equivariant architecture, and introduce a novel equivariant network, named PACE. The proposed PACE utilizes edge booster and the Atomic Cluster Expansion (ACE) technique to approximate a greater number of $SE(3) \times S_n$ equivariant polynomial functions with enhanced degrees. As experimented in commonly used benchmarks, PACE demonstrates state-of-the-art performance in predicting atomic energy and force fields, with robust generalization capability across various geometric distributions under molecular dynamics (MD) across different temperature conditions. Our code is publicly available as part of the AIRS library https://github.com/divelab/AIRS/.
Authors: Jung Yeon Park, Sujay Bhatt, Sihan Zeng, Lawson L. S. Wong, Alec Koppel, Sumitra Ganesh, Robin Walters
Abstract: Equivariant neural networks have shown great success in reinforcement learning, improving sample efficiency and generalization when there is symmetry in the task. However, in many problems, only approximate symmetry is present, which makes imposing exact symmetry inappropriate. Recently, approximately equivariant networks have been proposed for supervised classification and modeling physical systems. In this work, we develop approximately equivariant algorithms in reinforcement learning (RL). We define approximately equivariant MDPs and theoretically characterize the effect of approximate equivariance on the optimal Q function. We propose novel RL architectures using relaxed group convolutions and experiment on several continuous control domains and stock trading with real financial data. Our results demonstrate that approximate equivariance matches prior work when exact symmetries are present, and outperforms them when domains exhibit approximate symmetry. As an added byproduct of these techniques, we observe increased robustness to noise at test time.
Authors: Hala Hawashin, Mehrnoosh Sadrzadeh
Abstract: While large language models (LLMs) have advanced the field of natural language processing (NLP), their ``black box'' nature obscures their decision-making processes. To address this, researchers developed structured approaches using higher order tensors. These are able to model linguistic relations, but stall when training on classical computers due to their excessive size. Tensors are natural inhabitants of quantum systems and training on quantum computers provides a solution by translating text to variational quantum circuits. In this paper, we develop MultiQ-NLP: a framework for structure-aware data processing with multimodal text+image data. Here, ``structure'' refers to syntactic and grammatical relationships in language, as well as the hierarchical organization of visual elements in images. We enrich the translation with new types and type homomorphisms and develop novel architectures to represent structure. When tested on a main stream image classification task (SVO Probes), our best model showed a par performance with the state of the art classical models; moreover the best model was fully structured.
Authors: Arham Khan, Robert Underwood, Carlo Siebenschuh, Yadu Babuji, Aswathy Ajith, Kyle Hippe, Ozan Gokdemir, Alexander Brace, Kyle Chard, Ian Foster
Abstract: Deduplication is a major focus for assembling and curating training datasets for large language models (LLM) -- detecting and eliminating additional instances of the same content -- in large collections of technical documents. Unrestrained, duplicates in the training dataset increase training costs and lead to undesirable properties such as memorization in trained models or cheating on evaluation. Contemporary approaches to document-level deduplication are often extremely expensive in both runtime and memory. We propose LSHBloom, an extension to MinhashLSH, which replaces the expensive LSHIndex with lightweight Bloom filters. LSHBloom demonstrates the same deduplication performance as MinhashLSH with only a marginal increase in false positives (as low as 1e-5 in our experiments); demonstrates competitive runtime (270\% faster than MinhashLSH on peS2o); and, crucially, uses just 0.6\% of the disk space required by MinhashLSH to deduplicate peS2o. We demonstrate that this space advantage scales with increased dataset size -- at the extreme scale of several billion documents, LSHBloom promises a 250\% speedup and a 54$\times$ space advantage over traditional MinHashLSH scaling deduplication of text datasets to many billions of documents.
Authors: Nandakishore Santhi, Stephan Eidenbenz, Brian Key, George Tompkins
Abstract: We study the challenge of predicting the time at which a competitor product, such as a novel high-capacity EV battery or a new car model, will be available to customers; as new information is obtained, this time-to-market estimate is revised. Our scenario is as follows: We assume that the product is under development at a Firm B, which is a competitor to Firm A; as they are in the same industry, Firm A has a relatively good understanding of the processes and steps required to produce the product. While Firm B tries to keep its activities hidden (think of stealth-mode for start-ups), Firm A is nevertheless able to gain periodic insights by observing what type of resources Firm B is using. We show how Firm A can build a model that predicts when Firm B will be ready to sell its product; the model leverages knowledge of the underlying processes and required resources to build a Parallel Discrete Simulation (PDES)-based process model that it then uses as a generative model to train a Hidden Markov Model (HMM). We study the question of how many resource observations Firm A requires in order to accurately assess the current state of development at Firm B. In order to gain general insights into the capabilities of this approach, we study the effect of different process graph densities, different densities of the resource-activity maps, etc., and also scaling properties as we increase the number resource counts. We find that in most cases, the HMM achieves a prediction accuracy of 70 to 80 percent after 20 (daily) observations of a production process that lasts 150 days on average and we characterize the effects of different problem instance densities on this prediction accuracy. Our results give insight into the level of market knowledge required for accurate and early time-to-market prediction.
Authors: Nasib Ullah, Erik Schultheis, Jinbin Zhang, Rohit Babbar
Abstract: Extreme multilabel classification (XMLC) problems occur in settings such as related product recommendation, large-scale document tagging, or ad prediction, and are characterized by a label space that can span millions of possible labels. There are two implicit tasks that the classifier performs: \emph{Evaluating} each potential label for its expected worth, and then \emph{selecting} the best candidates. For the latter task, only the relative order of scores matters, and this is what is captured by the standard evaluation procedure in the XMLC literature. However, in many practical applications, it is important to have a good estimate of the actual probability of a label being relevant, e.g., to decide whether to pay the fee to be allowed to display the corresponding ad. To judge whether an extreme classifier is indeed suited to this task, one can look, for example, to whether it returns \emph{calibrated} probabilities, which has hitherto not been done in this field. Therefore, this paper aims to establish the current status quo of calibration in XMLC by providing a systematic evaluation, comprising nine models from four different model families across seven benchmark datasets. As naive application of Expected Calibration Error (ECE) leads to meaningless results in long-tailed XMC datasets, we instead introduce the notion of \emph{calibration@k} (e.g., ECE@k), which focusses on the top-$k$ probability mass, offering a more appropriate measure for evaluating probability calibration in XMLC scenarios. While we find that different models can exhibit widely varying reliability plots, we also show that post-training calibration via a computationally efficient isotonic regression method enhances model calibration without sacrificing prediction accuracy. Thus, the practitioner can choose the model family based on accuracy considerations, and leave calibration to isotonic regression.
Authors: Miko{\l}aj S{\l}upi\'nski, Piotr Lipi\'nski
Abstract: The Hierarchical Dirichlet Process Hidden Markov Model (HDP-HMM) is a natural Bayesian nonparametric extension of the classical Hidden Markov Model for learning from (spatio-)temporal data. A sticky HDP-HMM has been proposed to strengthen the self-persistence probability in the HDP-HMM. Then, disentangled sticky HDP-HMM has been proposed to disentangle the strength of the self-persistence prior and transition prior. However, the sticky HDP-HMM assumes that the self-persistence probability is stationary, limiting its expressiveness. Here, we build on previous work on sticky HDP-HMM and disentangled sticky HDP-HMM, developing a more general model: the recurrent sticky HDP-HMM (RS-HDP-HMM). We develop a novel Gibbs sampling strategy for efficient inference in this model. We show that RS-HDP-HMM outperforms disentangled sticky HDP-HMM, sticky HDP-HMM, and HDP-HMM in both synthetic and real data segmentation.
Authors: Miko{\l}aj S{\l}upi\'nski, Piotr Lipi\'nski
Abstract: In this paper, we propose a novel model called Recurrent Explicit Duration Switching Linear Dynamical Systems (REDSLDS) that incorporates recurrent explicit duration variables into the rSLDS model. We also propose an inference and learning scheme that involves the use of P\'olya-gamma augmentation. We demonstrate the improved segmentation capabilities of our model on three benchmark datasets, including two quantitative datasets and one qualitative dataset.
Authors: Xingran Chen, Zhenke Wu, Xu Shi, Hyunghoon Cho, Bhramar Mukherjee
Abstract: We conduct a scoping review of existing approaches for synthetic EHR data generation, and benchmark major methods with proposed open-source software to offer recommendations for practitioners. We search three academic databases for our scoping review. Methods are benchmarked on open-source EHR datasets, MIMIC-III/IV. Seven existing methods covering major categories and two baseline methods are implemented and compared. Evaluation metrics concern data fidelity, downstream utility, privacy protection, and computational cost. 42 studies are identified and classified into five categories. Seven open-source methods covering all categories are selected, trained on MIMIC-III, and evaluated on MIMIC-III or MIMIC-IV for transportability considerations. Among them, GAN-based methods demonstrate competitive performance in fidelity and utility on MIMIC-III; rule-based methods excel in privacy protection. Similar findings are observed on MIMIC-IV, except that GAN-based methods further outperform the baseline methods in preserving fidelity. A Python package, ``SynthEHRella'', is provided to integrate various choices of approaches and evaluation metrics, enabling more streamlined exploration and evaluation of multiple methods. We found that method choice is governed by the relative importance of the evaluation metrics in downstream use cases. We provide a decision tree to guide the choice among the benchmarked methods. Based on the decision tree, GAN-based methods excel when distributional shifts exist between the training and testing populations. Otherwise, CorGAN and MedGAN are most suitable for association modeling and predictive modeling, respectively. Future research should prioritize enhancing fidelity of the synthetic data while controlling privacy exposure, and comprehensive benchmarking of longitudinal or conditional generation methods.
Authors: Thomas Frost, Kezhi Li, Steve Harris
Abstract: The task of predicting long-term patient outcomes using supervised machine learning is a challenging one, in part because of the high variance of each patient's trajectory, which can result in the model over-fitting to the training data. Temporal difference (TD) learning, a common reinforcement learning technique, may reduce variance by generalising learning to the pattern of state transitions rather than terminal outcomes. However, in healthcare this method requires several strong assumptions about patient states, and there appears to be limited literature evaluating the performance of TD learning against traditional supervised learning methods for long-term health outcome prediction tasks. In this study, we define a framework for applying TD learning to real-time irregularly sampled time series data using a Semi-Markov Reward Process. We evaluate the model framework in predicting intensive care mortality and show that TD learning under this framework can result in improved model robustness compared to standard supervised learning methods. and that this robustness is maintained even when validated on external datasets. This approach may offer a more reliable method when learning to predict patient outcomes using high-variance irregular time series data.
Authors: Stephen Pasteris, Chris Hicks, Vasilios Mavroudis
Abstract: In this paper we consider the contextual bandit problem with a finite (or infinite and clustered) context set. We consider the fully adversarial problem in which, apart from having bounded losses, there are no assumptions whatsoever on the generation of the contexts and losses. In our problem we assume that the context set is partitioned into a set of protected groups. At the start of each trial we are given a probability distribution over the context set and are required (on that trial) to be fair with respect to that distribution, in that if the context (for that trial) was drawn from the distribution then our choice of action would be unbiased towards any protected group. We develop an algorithm FexEx for this problem which has remarkable efficiency, having a space and per-trial time complexity at most linear in the dimensionality of the policy space. FexEx can handle non-stationarity, in that its regret can be bounded with respect to any sequence of policies satisfying the fairness constraints. For such a sequence the regret bound of FexEx is essentially the same as that of running Exp3.S for each context independently (an approach that does not satisfy the fairness constraints).
Authors: Aviad Susman
Abstract: Autoencoders may lend themselves to the design of more accurate and computationally efficient recommender systems by distilling sparse high-dimensional data into dense lower-dimensional latent representations. However, designing these systems remains challenging due to the lack of theoretical guidance. This work addresses this by identifying three key mathematical properties that the encoder in an autoencoder should exhibit to improve recommendation accuracy: (1) dimensionality reduction, (2) preservation of similarity ordering in dot product comparisons, and (3) preservation of non-zero vectors. Through theoretical analysis, we demonstrate that common activation functions, such as ReLU and tanh, cannot fulfill these properties jointly within a generalizable framework. In contrast, sigmoid-like activations emerge as suitable choices for latent activations. This theoretically informed approach offers a more systematic method for hyperparameter selection, enhancing the efficiency of model design.
Authors: Tri Minh Nguyen, Sherif Abdulkader Tawfik, Truyen Tran, Sunil Gupta, Santu Rana, Svetha Venkatesh
Abstract: Discovering new solid-state materials requires rapidly exploring the vast space of crystal structures and locating stable regions. Generating stable materials with desired properties and compositions is extremely difficult as we search for very small isolated pockets in the exponentially many possibilities, considering elements from the periodic table and their 3D arrangements in crystal lattices. Materials discovery necessitates both optimized solution structures and diversity in the generated material structures. Existing methods struggle to explore large material spaces and generate diverse samples with desired properties and requirements. We propose the Symmetry-aware Hierarchical Architecture for Flow-based Traversal (SHAFT), a novel generative model employing a hierarchical exploration strategy to efficiently exploit the symmetry of the materials space to generate crystal structures given desired properties. In particular, our model decomposes the exponentially large materials space into a hierarchy of subspaces consisting of symmetric space groups, lattice parameters, and atoms. We demonstrate that SHAFT significantly outperforms state-of-the-art iterative generative methods, such as Generative Flow Networks (GFlowNets) and Crystal Diffusion Variational AutoEncoders (CDVAE), in crystal structure generation tasks, achieving higher validity, diversity, and stability of generated structures optimized for target properties and requirements.
Authors: Carlos Huertas
Abstract: Large Language Models (LLM) have brought numerous of new applications to Machine Learning (ML). In the context of tabular data (TD), recent studies show that TabLLM is a very powerful mechanism for few-shot-learning (FSL) applications, even if gradient boosting decisions trees (GBDT) have historically dominated the TD field. In this work we demonstrate that although LLMs are a viable alternative, the evidence suggests that baselines used to gauge performance can be improved. We replicated public benchmarks and our methodology improves LightGBM by 290%, this is mainly driven by forcing node splitting with few samples, a critical step in FSL with GBDT. Our results show an advantage to TabLLM for 8 or fewer shots, but as the number of samples increases GBDT provides competitive performance at a fraction of runtime. For other real-life applications with vast number of samples, we found FSL still useful to improve model diversity, and when combined with ExtraTrees it provides strong resilience to overfitting, our proposal was validated in a ML competition setting ranking first place.
Authors: Tanishq Kumar, Zachary Ankner, Benjamin F. Spector, Blake Bordelon, Niklas Muennighoff, Mansheej Paul, Cengiz Pehlevan, Christopher R\'e, Aditi Raghunathan
Abstract: Low precision training and inference affect both the quality and cost of language models, but current scaling laws do not account for this. In this work, we devise "precision-aware" scaling laws for both training and inference. We propose that training in lower precision reduces the model's "effective parameter count," allowing us to predict the additional loss incurred from training in low precision and post-train quantization. For inference, we find that the degradation introduced by post-training quantization increases as models are trained on more data, eventually making additional pretraining data actively harmful. For training, our scaling laws allow us to predict the loss of a model with different parts in different precisions, and suggest that training larger models in lower precision may be compute optimal. We unify the scaling laws for post and pretraining quantization to arrive at a single functional form that predicts degradation from training and inference in varied precisions. We fit on over 465 pretraining runs and validate our predictions on model sizes up to 1.7B parameters trained on up to 26B tokens.
Authors: Elizabeth A Mullins, Adrian Portillo, Kristalys Ruiz-Rohena, Aritran Piplai
Abstract: Large Language Models have become a valuable source of information for our daily inquiries. However, after training, its data source quickly becomes out-of-date, making RAG a useful tool for providing even more recent or pertinent data. In this work, we investigate how RAG pipelines, with the course materials serving as a data source, might help students in K-12 education. The initial research utilizes Reddit as a data source for up-to-date cybersecurity information. Chunk size is evaluated to determine the optimal amount of context needed to generate accurate answers. After running the experiment for different chunk sizes, answer correctness was evaluated using RAGAs with average answer correctness not exceeding 50 percent for any chunk size. This suggests that Reddit is not a good source to mine for data for questions about cybersecurity threats. The methodology was successful in evaluating the data source, which has implications for its use to evaluate educational resources for effectiveness.
Authors: Hailey Joren, Charles Marx, Berk Ustun
Abstract: We propose a new approach to promote safety in classification tasks with established concepts. Our approach -- called a conceptual safeguard -- acts as a verification layer for models that predict a target outcome by first predicting the presence of intermediate concepts. Given this architecture, a safeguard ensures that a model meets a minimal level of accuracy by abstaining from uncertain predictions. In contrast to a standard selective classifier, a safeguard provides an avenue to improve coverage by allowing a human to confirm the presence of uncertain concepts on instances on which it abstains. We develop methods to build safeguards that maximize coverage without compromising safety, namely techniques to propagate the uncertainty in concept predictions and to flag salient concepts for human review. We benchmark our approach on a collection of real-world and synthetic datasets, showing that it can improve performance and coverage in deep learning tasks.
Authors: Nadezhda Semenova, Daniel Brunner
Abstract: In recent years, the hardware implementation of neural networks, leveraging physical coupling and analog neurons has substantially increased in relevance. Such nonlinear and complex physical networks provide significant advantages in speed and energy efficiency, but are potentially susceptible to internal noise when compared to digital emulations of such networks. In this work, we consider how additive and multiplicative Gaussian white noise on the neuronal level can affect the accuracy of the network when applied for specific tasks and including a softmax function in the readout layer. We adapt several noise reduction techniques to the essential setting of classification tasks, which represent a large fraction of neural network computing. We find that these adjusted concepts are highly effective in mitigating the detrimental impact of noise.
Authors: Shuangjie Li, Jiangqing Song, Baoming Zhang, Gaoli Ruan, Junyuan Xie, Chongjun Wang
Abstract: Graph neural networks (GNNs) are prominent for their effectiveness in processing graph data for semi-supervised node classification tasks. Most works of GNNs assume that the observed structure accurately represents the underlying node relationships. However, the graph structure is inevitably noisy or incomplete in reality, which can degrade the quality of graph representations. Therefore, it is imperative to learn a clean graph structure that balances performance and robustness. In this paper, we propose a novel method named \textit{Global-augmented Graph Structure Learning} (GaGSL), guided by the Graph Information Bottleneck (GIB) principle. The key idea behind GaGSL is to learn a compact and informative graph structure for node classification tasks. Specifically, to mitigate the bias caused by relying solely on the original structure, we first obtain augmented features and augmented structure through global feature augmentation and global structure augmentation. We then input the augmented features and augmented structure into a structure estimator with different parameters for optimization and re-definition of the graph structure, respectively. The redefined structures are combined to form the final graph structure. Finally, we employ GIB based on mutual information to guide the optimization of the graph structure to obtain the minimum sufficient graph structure. Comprehensive evaluations across a range of datasets reveal the outstanding performance and robustness of GaGSL compared with the state-of-the-art methods.
Authors: Vaibhav Seth, Arinjay Pathak, Ayan Sengupta, Natraj Raman, Sriram Gopalakrishnan, Tanmoy Chakraborty
Abstract: Large Language Models (LLMs) are highly resource-intensive to fine-tune due to their enormous size. While low-rank adaptation is a prominent parameter-efficient fine-tuning approach, it suffers from sensitivity to hyperparameter choices, leading to instability in model performance on fine-tuning downstream tasks. This paper highlights the importance of effective parameterization in low-rank fine-tuning to reduce estimator variance and enhance the stability of final model outputs. We propose MonteCLoRA, an efficient fine-tuning technique, employing Monte Carlo estimation to learn an unbiased posterior estimation of low-rank parameters with low expected variance, which stabilizes fine-tuned LLMs with only O(1) additional parameters. MonteCLoRA shows significant improvements in accuracy and robustness, achieving up to 3.8% higher accuracy and 8.6% greater robustness than existing efficient fine-tuning methods on natural language understanding tasks with pre-trained RoBERTa-base. Furthermore, in generative tasks with pre-trained LLaMA-1-7B, MonteCLoRA demonstrates robust zero-shot performance with 50% lower variance than the contemporary efficient fine-tuning methods. The theoretical and empirical results presented in the paper underscore how parameterization and hyperpriors balance exploration-exploitation in the low-rank parametric space, therefore leading to more optimal and robust parameter estimation during efficient fine-tuning.
Authors: Yonas Sium, Qi Li
Abstract: Graph Neural Networks (GNNs) have become the leading approach for addressing graph analytical problems in various real-world scenarios. However, GNNs may produce biased predictions against certain demographic subgroups due to node attributes and neighbors surrounding a node. Most current research on GNN fairness focuses predominantly on debiasing GNNs using oversimplified fairness evaluation metrics, which can give a misleading impression of fairness. Understanding the potential evaluation paradoxes due to the complicated nature of the graph structure is crucial for developing effective GNN debiasing mechanisms. In this paper, we examine the effectiveness of current GNN debiasing methods in terms of unfairness evaluation. Specifically, we introduce a community-level strategy to measure bias in GNNs and evaluate debiasing methods at this level. Further, We introduce ComFairGNN, a novel framework designed to mitigate community-level bias in GNNs. Our approach employs a learnable coreset-based debiasing function that addresses bias arising from diverse local neighborhood distributions during GNNs neighborhood aggregation. Comprehensive evaluations on three benchmark datasets demonstrate our model's effectiveness in both accuracy and fairness metrics.
Authors: Daniel O'Malley, Manish Bhattarai, Javier Santos
Abstract: This paper presents a novel benchmark where the large language model (LLM) must write code that computes integer sequences from the Online Encyclopedia of Integer Sequences (OEIS), a widely-used resource for mathematical sequences. The benchmark is designed to evaluate both the correctness of the generated code and its computational efficiency. Our benchmark reveals that the o1 series of models outperform other frontier models from OpenAI, Anthropic, Meta, and Google in accuracy and cheating rates across both easy and hard integer sequences. In order to ensure models do not exploit memorized sequence values, we introduce an automated cheating detection mechanism that flags the use of lookup tables and validated this automation against human cheating evaluations. This benchmark provides a meaningful challenge for current LLMs, offering insights into their mathematical reasoning and code writing capabilities, which can guide future research directions and model development in mathematical reasoning and code synthesis.
Authors: Rui Luo, Jie Bao, Zhixin Zhou, Chuangyin Dang
Abstract: Adversarial attacks pose significant threats to the reliability and safety of deep learning models, especially in critical domains such as medical imaging. This paper introduces a novel framework that integrates conformal prediction with game-theoretic defensive strategies to enhance model robustness against both known and unknown adversarial perturbations. We address three primary research questions: constructing valid and efficient conformal prediction sets under known attacks (RQ1), ensuring coverage under unknown attacks through conservative thresholding (RQ2), and determining optimal defensive strategies within a zero-sum game framework (RQ3). Our methodology involves training specialized defensive models against specific attack types and employing maximum and minimum classifiers to aggregate defenses effectively. Extensive experiments conducted on the MedMNIST datasets, including PathMNIST, OrganAMNIST, and TissueMNIST, demonstrate that our approach maintains high coverage guarantees while minimizing prediction set sizes. The game-theoretic analysis reveals that the optimal defensive strategy often converges to a singular robust model, outperforming uniform and simple strategies across all evaluated datasets. This work advances the state-of-the-art in uncertainty quantification and adversarial robustness, providing a reliable mechanism for deploying deep learning models in adversarial environments.
Authors: Shang-Ling Hsu, Emmanuel Tung, John Krumm, Cyrus Shahabi, Khurram Shafique
Abstract: Human mobility modeling from GPS-trajectories and synthetic trajectory generation are crucial for various applications, such as urban planning, disaster management and epidemiology. Both of these tasks often require filling gaps in a partially specified sequence of visits - a new problem that we call "controlled" synthetic trajectory generation. Existing methods for next-location prediction or synthetic trajectory generation cannot solve this problem as they lack the mechanisms needed to constrain the generated sequences of visits. Moreover, existing approaches (1) frequently treat space and time as independent factors, an assumption that fails to hold true in real-world scenarios, and (2) suffer from challenges in accuracy of temporal prediction as they fail to deal with mixed distributions and the inter-relationships of different modes with latent variables (e.g., day-of-the-week). These limitations become even more pronounced when the task involves filling gaps within sequences instead of solely predicting the next visit. We introduce TrajGPT, a transformer-based, multi-task, joint spatiotemporal generative model to address these issues. Taking inspiration from large language models, TrajGPT poses the problem of controlled trajectory generation as that of text infilling in natural language. TrajGPT integrates the spatial and temporal models in a transformer architecture through a Bayesian probability model that ensures that the gaps in a visit sequence are filled in a spatiotemporally consistent manner. Our experiments on public and private datasets demonstrate that TrajGPT not only excels in controlled synthetic visit generation but also outperforms competing models in next-location prediction tasks - Relatively, TrajGPT achieves a 26-fold improvement in temporal accuracy while retaining more than 98% of spatial accuracy on average.
Authors: Teodora Baluta, Pascal Lamblin, Daniel Tarlow, Fabian Pedregosa, Gintare Karolina Dziugaite
Abstract: Machine unlearning aims to solve the problem of removing the influence of selected training examples from a learned model. Despite the increasing attention to this problem, it remains an open research question how to evaluate unlearning in large language models (LLMs), and what are the critical properties of the data to be unlearned that affect the quality and efficiency of unlearning. This work formalizes a metric to evaluate unlearning quality in generative models, and uses it to assess the trade-offs between unlearning quality and performance. We demonstrate that unlearning out-of-distribution examples requires more unlearning steps but overall presents a better trade-off overall. For in-distribution examples, however, we observe a rapid decay in performance as unlearning progresses. We further evaluate how example's memorization and difficulty affect unlearning under a classical gradient ascent-based approach.
Authors: Yijian Pan, Yongchang Ma, Bolin Shen, Linyang He
Abstract: The goal of our project is to use satellite data (including nighttime light data and remote sensing images) to give us some statistical estimation of the economic development level of a selected area (Singapore). Findings from the project could inform policymakers about areas needing intervention or support for economic development initiatives. Insights gained might aid in targeted policy formulation for infrastructure, agriculture, urban planning, or resource management.
Authors: Yiwei Dong, Shaoxin Ye, Yuwen Cao, Qiyu Han, Hongteng Xu, Hanfang Yang
Abstract: Asynchronous event sequence clustering aims to group similar event sequences in an unsupervised manner. Mixture models of temporal point processes have been proposed to solve this problem, but they often suffer from overfitting, leading to excessive cluster generation with a lack of diversity. To overcome these limitations, we propose a Bayesian mixture model of Temporal Point Processes with Determinantal Point Process prior (TP$^2$DP$^2$) and accordingly an efficient posterior inference algorithm based on conditional Gibbs sampling. Our work provides a flexible learning framework for event sequence clustering, enabling automatic identification of the potential number of clusters and accurate grouping of sequences with similar features. It is applicable to a wide range of parametric temporal point processes, including neural network-based models. Experimental results on both synthetic and real-world data suggest that our framework could produce moderately fewer yet more diverse mixture components, and achieve outstanding results across multiple evaluation metrics.
Authors: Bai Cong, Nico Daheim, Yuesong Shen, Daniel Cremers, Rio Yokota, Mohammad Emtiyaz Khan, Thomas M\"ollenhoff
Abstract: We show that variational learning can significantly improve the accuracy and calibration of Low-Rank Adaptation (LoRA) without a substantial increase in the cost. We replace AdamW by the Improved Variational Online Newton (IVON) algorithm to finetune large language models. For Llama-2 with 7 billion parameters, IVON improves the accuracy over AdamW by 2.8% and expected calibration error by 4.6%. The accuracy is also better than the other Bayesian alternatives, yet the cost is lower and the implementation is easier. Our work provides additional evidence for the effectiveness of IVON for large language models. The code is available at https://github.com/team-approx-bayes/ivon-lora.
Authors: Jiaxin Deng, Junbiao Pang, Jiayu Xu, Haitao Yu
Abstract: In our urban life, long distance coaches supply a convenient yet economic approach to the transportation of the public. One notable problem is to discover the abnormal stop of the coaches due to the important reason, i.e., illegal pick up on the way which possibly endangers the safety of passengers. It has become a pressing issue to detect the coach abnormal stop with low-quality GPS. In this paper, we propose an unsupervised method that helps transportation managers to efficiently discover the Abnormal Stop Detection (ASD) for long distance coaches. Concretely, our method converts the ASD problem into an unsupervised clustering framework in which both the normal stop and the abnormal one are decomposed. Firstly, we propose a stop duration model for the low frequency GPS based on the assumption that a coach changes speed approximately in a linear approach. Secondly, we strip the abnormal stops from the normal stop points by the low rank assumption. The proposed method is conceptually simple yet efficient, by leveraging low rank assumption to handle normal stop points, our approach enables domain experts to discover the ASD for coaches, from a case study motivated by traffic managers. Datset and code are publicly available at: https://github.com/pangjunbiao/IPPs.
Authors: Usha Bhalla, Suraj Srinivas, Asma Ghandeharioun, Himabindu Lakkaraju
Abstract: With the growing complexity and capability of large language models, a need to understand model reasoning has emerged, often motivated by an underlying goal of controlling and aligning models. While numerous interpretability and steering methods have been proposed as solutions, they are typically designed either for understanding or for control, seldom addressing both, with the connection between interpretation and control more broadly remaining tenuous. Additionally, the lack of standardized applications, motivations, and evaluation metrics makes it difficult to assess these methods' practical utility and efficacy. To address this, we propose intervention as a fundamental goal of interpretability and introduce success criteria to evaluate how well methods are able to control model behavior through interventions. We unify and extend four popular interpretability methods--sparse autoencoders, logit lens, tuned lens, and probing--into an abstract encoder-decoder framework. This framework maps intermediate latent representations to human-interpretable feature spaces, enabling interventions on these interpretable features, which can then be mapped back to latent representations to control model outputs. We introduce two new evaluation metrics: intervention success rate and the coherence-intervention tradeoff, designed to measure the accuracy of explanations and their utility in controlling model behavior. Our findings reveal that (1) although current methods allow for intervention, they are inconsistent across models and features, (2) lens-based methods outperform others in achieving simple, concrete interventions, and (3) interventions often compromise model performance and coherence, underperforming simpler alternatives, such as prompting, for steering model behavior and highlighting a critical shortcoming of current interpretability approaches in real-world applications requiring control.
Authors: Tim Pearce, Tabish Rashid, Dave Bignell, Raluca Georgescu, Sam Devlin, Katja Hofmann
Abstract: The performance of embodied agents has been shown to improve by increasing model parameters, dataset size, and compute. This has been demonstrated in domains from robotics to video games, when generative learning objectives on offline datasets (pre-training) are used to model an agent's behavior (imitation learning) or their environment (world modeling). This paper characterizes the role of scale in these tasks more precisely. Going beyond the simple intuition that `bigger is better', we show that the same types of power laws found in language modeling (e.g. between loss and optimal model size), also arise in world modeling and imitation learning. However, the coefficients of these laws are heavily influenced by the tokenizer, task \& architecture -- this has important implications on the optimal sizing of models and data.
Authors: Daniel Wang, Jack McFarland, Afra Mashhadi, Ekin Ugurel
Abstract: This work examines the fairness of generative mobility models, addressing the often overlooked dimension of equity in model performance across geographic regions. Predictive models built on crowd flow data are instrumental in understanding urban structures and movement patterns; however, they risk embedding biases, particularly in spatiotemporal contexts where model performance may reflect and reinforce existing inequities tied to geographic distribution. We propose a novel framework for assessing fairness by measuring the utility and equity of generated traces. Utility is assessed via the Common Part of Commuters (CPC), a similarity metric comparing generated and real mobility flows, while fairness is evaluated using demographic parity. By reformulating demographic parity to reflect the difference in CPC distribution between two groups, our analysis reveals disparities in how various models encode biases present in the underlying data. We utilized four models (Gravity, Radiation, Deep Gravity, and Non-linear Gravity) and our results indicate that traditional gravity and radiation models produce fairer outcomes, although Deep Gravity achieves higher CPC. This disparity underscores a trade-off between model accuracy and equity, with the feature-rich Deep Gravity model amplifying pre-existing biases in community representations. Our findings emphasize the importance of integrating fairness metrics in mobility modeling to avoid perpetuating inequities.
Authors: Robby Costales, Stefanos Nikolaidis
Abstract: The wider application of end-to-end learning methods to embodied decision-making domains remains bottlenecked by their reliance on a superabundance of training data representative of the target domain. Meta-reinforcement learning (meta-RL) approaches abandon the aim of zero-shot generalization--the goal of standard reinforcement learning (RL)--in favor of few-shot adaptation, and thus hold promise for bridging larger generalization gaps. While learning this meta-level adaptive behavior still requires substantial data, efficient environment simulators approaching real-world complexity are growing in prevalence. Even so, hand-designing sufficiently diverse and numerous simulated training tasks for these complex domains is prohibitively labor-intensive. Domain randomization (DR) and procedural generation (PG), offered as solutions to this problem, require simulators to possess carefully-defined parameters which directly translate to meaningful task diversity--a similarly prohibitive assumption. In this work, we present DIVA, an evolutionary approach for generating diverse training tasks in such complex, open-ended simulators. Like unsupervised environment design (UED) methods, DIVA can be applied to arbitrary parameterizations, but can additionally incorporate realistically-available domain knowledge--thus inheriting the flexibility and generality of UED, and the supervised structure embedded in well-designed simulators exploited by DR and PG. Our empirical results showcase DIVA's unique ability to overcome complex parameterizations and successfully train adaptive agent behavior, far outperforming competitive baselines from prior literature. These findings highlight the potential of such semi-supervised environment design (SSED) approaches, of which DIVA is the first humble constituent, to enable training in realistic simulated domains, and produce more robust and capable adaptive agents.
Authors: Laifa Tao, Qixuan Huang, Xianjun Wu, Weiwei Zhang, Yunlong Wu, Bin Li, Chen Lu, Xingshuo Hai
Abstract: The increasing use of smart devices has emphasized the critical role of maintenance in production activities. Interactive Electronic Technical Manuals (IETMs) are vital tools that support the maintenance of smart equipment. However, traditional IETMs face challenges such as transitioning from Graphical User Interfaces (GUIs) to natural Language User Interfaces (LUIs) and managing complex logical relationships. Additionally, they must meet the current demands for higher intelligence. This paper proposes a Maintenance Scheme Generation Method based on Large Language Models (LLM-R). The proposed method includes several key innovations: We propose the Low Rank Adaptation-Knowledge Retention (LORA-KR) loss technology to proportionally adjust mixed maintenance data for fine-tuning the LLM. This method prevents knowledge conflicts caused by mixed data, improving the model's adaptability and reasoning ability in specific maintenance domains, Besides, Hierarchical Task-Based Agent and Instruction-level Retrieval-Augmented Generation (RAG) technologies are adopted to optimize the generation steps and mitigate the phenomenon of hallucination caused by the model's Inability to access contextual information. This enhancement improves the model's flexibility and accuracy in handling known or unknown maintenance objects and maintenance scheme scenarios. To validate the proposed method's effectiveness in maintenance tasks, a maintenance scheme dataset was constructed using objects from different fields. The experimental results show that the accuracy of the maintenance schemes generated by the proposed method reached 91.59%, indicating which improvement enhances the intelligence of maintenance schemes and introduces novel technical approaches for equipment maintenance.
Authors: Hao Yang, Zhanbo Feng, Feng Zhou, Robert C Qiu, Zenan Ling
Abstract: Diffusion models have risen to prominence in time series forecasting, showcasing their robust capability to model complex data distributions. However, their effectiveness in deterministic predictions is often constrained by instability arising from their inherent stochasticity. In this paper, we revisit time series diffusion models and present a comprehensive framework that encompasses most existing diffusion-based methods. Building on this theoretical foundation, we propose a novel diffusion-based time series forecasting model, the Series-to-Series Diffusion Bridge Model ($\mathrm{S^2DBM}$), which leverages the Brownian Bridge process to reduce randomness in reverse estimations and improves accuracy by incorporating informative priors and conditions derived from historical time series data. Experimental results demonstrate that $\mathrm{S^2DBM}$ delivers superior performance in point-to-point forecasting and competes effectively with other diffusion-based models in probabilistic forecasting.
Authors: Danish Ebadulla, Aditya Gulati, Ambuj Singh
Abstract: We introduce a manifold analysis technique for neural network representations. Normalized Space Alignment (NSA) compares pairwise distances between two point clouds derived from the same source and having the same size, while potentially possessing differing dimensionalities. NSA can act as both an analytical tool and a differentiable loss function, providing a robust means of comparing and aligning representations across different layers and models. It satisfies the criteria necessary for both a similarity metric and a neural network loss function. We showcase NSA's versatility by illustrating its utility as a representation space analysis metric, a structure-preserving loss function, and a robustness analysis tool. NSA is not only computationally efficient but it can also approximate the global structural discrepancy during mini-batching, facilitating its use in a wide variety of neural network training paradigms.
Authors: Sharvani Srivastava, Sudhakar Singh, Pooja, Shiv Prakash
Abstract: Sign languages are the language of hearing-impaired people who use visuals like the hand, facial, and body movements for communication. There are different signs and gestures representing alphabets, words, and phrases. Nowadays approximately 300 sign languages are being practiced worldwide such as American Sign Language (ASL), Chinese Sign Language (CSL), Indian Sign Language (ISL), and many more. Sign languages are dependent on the vocal language of a place. Unlike vocal or spoken languages, there are no helping words in sign language like is, am, are, was, were, will, be, etc. As only a limited population is well-versed in sign language, this lack of familiarity of sign language hinders hearing-impaired people from communicating freely and easily with everyone. This issue can be addressed by a sign language recognition (SLR) system which has the capability to translate the sign language into vocal language. In this paper, a continuous SLR system is proposed using a deep learning model employing Long Short-Term Memory (LSTM), trained and tested on an ISL primary dataset. This dataset is created using MediaPipe Holistic pipeline for tracking face, hand, and body movements and collecting landmarks. The system recognizes the signs and gestures in real-time with 88.23% accuracy.
Authors: Hai-Yen Phan Nguyen, Phi-Lan Ly, Duc-Manh Le, Trong-Hop Do
Abstract: In the context of modern life, particularly in Industry 4.0 within the online space, emotions and moods are frequently conveyed through social media posts. The trend of sharing stories, thoughts, and feelings on these platforms generates a vast and promising data source for Big Data. This creates both a challenge and an opportunity for research in applying technology to develop more automated and accurate methods for detecting stress in social media users. In this study, we developed a real-time system for stress detection in online posts, using the "Dreaddit: A Reddit Dataset for Stress Analysis in Social Media," which comprises 187,444 posts across five different Reddit domains. Each domain contains texts with both stressful and non-stressful content, showcasing various expressions of stress. A labeled dataset of 3,553 lines was created for training. Apache Kafka, PySpark, and AirFlow were utilized to build and deploy the model. Logistic Regression yielded the best results for new streaming data, achieving 69,39% for measuring accuracy and 68,97 for measuring F1-scores.
Authors: Yi Shen, Hanyan Huang
Abstract: Offline reinforcement learning has received extensive attention from scholars because it avoids the interaction between the agent and the environment by learning a policy through a static dataset. However, general reinforcement learning methods cannot get satisfactory results in offline reinforcement learning due to the out-of-distribution state actions that the dataset cannot cover during training. To solve this problem, the policy regularization method that tries to directly clone policies used in static datasets has received numerous studies due to its simplicity and effectiveness. However, policy constraint methods make the agent choose the corresponding actions in the static dataset. This type of constraint is usually over-conservative, which results in suboptimal policies, especially in low-quality static datasets. In this paper, a hypercube policy regularization framework is proposed, this method alleviates the constraints of policy constraint methods by allowing the agent to explore the actions corresponding to similar states in the static dataset, which increases the effectiveness of algorithms in low-quality datasets. It was also theoretically demonstrated that the hypercube policy regularization framework can effectively improve the performance of original algorithms. In addition, the hypercube policy regularization framework is combined with TD3-BC and Diffusion-QL for experiments on D4RL datasets which are called TD3-BC-C and Diffusion-QL-C. The experimental results of the score demonstrate that TD3-BC-C and Diffusion-QL-C perform better than state-of-the-art algorithms like IQL, CQL, TD3-BC and Diffusion-QL in most D4RL environments in approximate time.
Authors: Qiang Wu, Gechang Yao, Zhixi Feng, Shuyuan Yang
Abstract: Time series analysis finds wide applications in fields such as weather forecasting, anomaly detection, and behavior recognition. Previous methods attempted to model temporal variations directly using 1D time series. However, this has been quite challenging due to the discrete nature of data points in time series and the complexity of periodic variation. In terms of periodicity, taking weather and traffic data as an example, there are multi-periodic variations such as yearly, monthly, weekly, and daily, etc. In order to break through the limitations of the previous methods, we decouple the implied complex periodic variations into inclusion and overlap relationships among different level periodic components based on the observation of the multi-periodicity therein and its inclusion relationships. This explicitly represents the naturally occurring pyramid-like properties in time series, where the top level is the original time series and lower levels consist of periodic components with gradually shorter periods, which we call the periodic pyramid. To further extract complex temporal variations, we introduce self-attention mechanism into the periodic pyramid, capturing complex periodic relationships by computing attention between periodic components based on their inclusion, overlap, and adjacency relationships. Our proposed Peri-midFormer demonstrates outstanding performance in five mainstream time series analysis tasks, including short- and long-term forecasting, imputation, classification, and anomaly detection.
Authors: Dasheng Fan, Xihan Mu, Yongkang Lai, Donghui Xie, Guangjian Yan
Abstract: For the retrieval of large-scale vegetation biophysical parameters, the inversion of radiative transfer models (RTMs) is the most commonly used approach. In recent years, Artificial Neural Network (ANN)-based methods have become the mainstream for inverting RTMs due to their high accuracy and computational efficiency. It has been widely used in the retrieval of biophysical variables (BV). However, due to the lack of the Bayesian inversion theory interpretation, it faces challenges in quantifying the retrieval uncertainty, a crucial metric for product quality validation and downstream applications such as data assimilation or ecosystem carbon cycling modeling. This study proved that the ANN trained with squared loss outputs the posterior mean, providing a rigorous foundation for its uncertainty quantification, regularization, and incorporation of prior information. A Bayesian theoretical framework was subsequently proposed for ANN-based methods. Using this framework, we derived a new algorithm called Uncertainty Prediction Neural Network (UpNet), which enables the simultaneous training of two ANNs to retrieve BV and provide retrieval uncertainty. To validate our method, we compared UpNet with the standard Bayesian inference method, i.e., Markov Chain Monte Carlo (MCMC), in the inversion of a widely used RTM called ProSAIL for retrieving BVs and estimating uncertainty. The results demonstrated that the BVs retrieved and the uncertainties estimated by UpNet were highly consistent with those from MCMC, achieving over a million-fold acceleration. These results indicated that UpNet has significant potential for fast retrieval and uncertainty quantification of BVs or other parameters with medium and high-resolution remote sensing data. Our Python implementation is available at: https://github.com/Dash-RSer/UpNet.
Authors: Marvin Alles, Philip Becker-Ehmck, Patrick van der Smagt, Maximilian Karl
Abstract: In offline reinforcement learning, a policy is learned using a static dataset in the absence of costly feedback from the environment. In contrast to the online setting, only using static datasets poses additional challenges, such as policies generating out-of-distribution samples. Model-based offline reinforcement learning methods try to overcome these by learning a model of the underlying dynamics of the environment and using it to guide policy search. It is beneficial but, with limited datasets, errors in the model and the issue of value overestimation among out-of-distribution states can worsen performance. Current model-based methods apply some notion of conservatism to the Bellman update, often implemented using uncertainty estimation derived from model ensembles. In this paper, we propose Constrained Latent Action Policies (C-LAP) which learns a generative model of the joint distribution of observations and actions. We cast policy learning as a constrained objective to always stay within the support of the latent action distribution, and use the generative capabilities of the model to impose an implicit constraint on the generated actions. Thereby eliminating the need to use additional uncertainty penalties on the Bellman update and significantly decreasing the number of gradient steps required to learn a policy. We empirically evaluate C-LAP on the D4RL and V-D4RL benchmark, and show that C-LAP is competitive to state-of-the-art methods, especially outperforming on datasets with visual observations.
Authors: Rahul Vashisht, P. Krishna Kumar, Harsha Vardhan Govind, Harish G. Ramaswamy
Abstract: Neural networks trained with stochastic gradient descent exhibit an inductive bias towards simpler decision boundaries, typically converging to a narrow family of functions, and often fail to capture more complex features. This phenomenon raises concerns about the capacity of deep models to adequately learn and represent real-world datasets. Traditional approaches such as explicit regularization, data augmentation, architectural modifications, etc., have largely proven ineffective in encouraging the models to learn diverse features. In this work, we investigate the impact of pre-training models with noisy labels on the dynamics of SGD across various architectures and datasets. We show that pretraining promotes learning complex functions and diverse features in the presence of noise. Our experiments demonstrate that pre-training with noisy labels encourages gradient descent to find alternate minima that do not solely depend upon simple features, rather learns more complex and broader set of features, without hurting performance.
Authors: Jhony H. Giraldo, Aref Einizade, Andjela Todorovic, Jhon A. Castro-Correa, Mohsen Badiey, Thierry Bouwmans, Fragkiskos D. Malliaros
Abstract: Graph Neural Networks (GNNs) have shown great promise in modeling relationships between nodes in a graph, but capturing higher-order relationships remains a challenge for large-scale networks. Previous studies have primarily attempted to utilize the information from higher-order neighbors in the graph, involving the incorporation of powers of the shift operator, such as the graph Laplacian or adjacency matrix. This approach comes with a trade-off in terms of increased computational and memory demands. Relying on graph spectral theory, we make a fundamental observation: the regular and the Hadamard power of the Laplacian matrix behave similarly in the spectrum. This observation has significant implications for capturing higher-order information in GNNs for various tasks such as node classification and semi-supervised learning. Consequently, we propose a novel graph convolutional operator based on the sparse Sobolev norm of graph signals. Our approach, known as Sparse Sobolev GNN (S2-GNN), employs Hadamard products between matrices to maintain the sparsity level in graph representations. S2-GNN utilizes a cascade of filters with increasing Hadamard powers to generate a diverse set of functions. We theoretically analyze the stability of S2-GNN to show the robustness of the model against possible graph perturbations. We also conduct a comprehensive evaluation of S2-GNN across various graph mining, semi-supervised node classification, and computer vision tasks. In particular use cases, our algorithm demonstrates competitive performance compared to state-of-the-art GNNs in terms of performance and running time.
Authors: Mary Scott, Graham Cormode, Carsten Maple
Abstract: Statistical heterogeneity is a measure of how skewed the samples of a dataset are. It is a common problem in the study of differential privacy that the usage of a statistically heterogeneous dataset results in a significant loss of accuracy. In federated scenarios, statistical heterogeneity is more likely to happen, and so the above problem is even more pressing. We explore the three most promising ways to measure statistical heterogeneity and give formulae for their accuracy, while simultaneously incorporating differential privacy. We find the optimum privacy parameters via an analytic mechanism, which incorporates root finding methods. We validate the main theorems and related hypotheses experimentally, and test the robustness of the analytic mechanism to different heterogeneity levels. The analytic mechanism in a distributed setting delivers superior accuracy to all combinations involving the classic mechanism and/or the centralized setting. All measures of statistical heterogeneity do not lose significant accuracy when a heterogeneous sample is used.
Authors: Benedikt Br\"uckner, Alessio Lomuscio
Abstract: We develop a method for the efficient verification of neural networks against convolutional perturbations such as blurring or sharpening. To define input perturbations we use well-known camera shake, box blur and sharpen kernels. We demonstrate that these kernels can be linearly parameterised in a way that allows for a variation of the perturbation strength while preserving desired kernel properties. To facilitate their use in neural network verification, we develop an efficient way of convolving a given input with these parameterised kernels. The result of this convolution can be used to encode the perturbation in a verification setting by prepending a linear layer to a given network. This leads to tight bounds and a high effectiveness in the resulting verification step. We add further precision by employing input splitting as a branch and bound strategy. We demonstrate that we are able to verify robustness on a number of standard benchmarks where the baseline is unable to provide any safety certificates. To the best of our knowledge, this is the first solution for verifying robustness against specific convolutional perturbations such as camera shake.
Authors: Heyang Zhao, Chenlu Ye, Quanquan Gu, Tong Zhang
Abstract: Reverse-Kullback-Leibler (KL) regularization has emerged to be a predominant technique used to enhance policy optimization in reinforcement learning (RL) and reinforcement learning from human feedback (RLHF), which forces the learned policy to stay close to a reference policy. While the effectiveness and necessity of KL-regularization have been empirically demonstrated in various practical scenarios, current theoretical analysis of KL-regularized RLHF still obtains the same $\mathcal{O}(1 / \epsilon^2)$ sample complexity as problems without KL-regularization. To understand the fundamental distinction between policy learning objectives with KL-regularization and ones without KL-regularization, we are the first to theoretically demonstrate the power of KL-regularization by providing a sharp analysis for KL-regularized contextual bandits and RLHF, revealing an $\mathcal{O}(1 / \epsilon)$ sample complexity when $\epsilon$ is sufficiently small. We further explore the role of data coverage in contextual bandits and RLHF. While the coverage assumption is commonly employed in offline RLHF to link the samples from the reference policy to the optimal policy, often at the cost of a multiplicative dependence on the coverage coefficient, its impact on the sample complexity of online RLHF remains unclear. Previous theoretical analyses of online RLHF typically require explicit exploration and additional structural assumptions on the reward function class. In contrast, we show that with sufficient coverage from the reference policy, a simple two-stage mixed sampling strategy can achieve a sample complexity with only an additive dependence on the coverage coefficient. Our results provide a comprehensive understanding of the roles of KL-regularization and data coverage in RLHF, shedding light on the design of more efficient RLHF algorithms.
Authors: Muhammad Al-Zafar Khan, Jamal Al-Karaki, Emad Mahafzah
Abstract: Inspired by the success of Geographically Weighted Regression and its accounting for spatial variations, we propose GeogGNN -- A graph neural network model that accounts for geographical latitude and longitudinal points. Using a synthetically generated dataset, we apply the algorithm for a 4-class classification problem in cybersecurity with seemingly realistic geographic coordinates centered in the Gulf Cooperation Council region. We demonstrate that it has higher accuracy than standard neural networks and convolutional neural networks that treat the coordinates as features. Encouraged by the speed-up in model accuracy by the GeogGNN model, we provide a general mathematical result that demonstrates that a geometrically weighted neural network will, in principle, always display higher accuracy in the classification of spatially dependent data by making use of spatial continuity and local averaging features.
Authors: Jonathan F. Carter, Lionel Tarassenko
Abstract: Accurate classification of sleep stages from less obtrusive sensor measurements such as the electrocardiogram (ECG) or photoplethysmogram (PPG) could enable important applications in sleep medicine. Existing approaches to this problem have typically used deep learning models designed and trained to operate on one or more specific input signals. However, the datasets used to develop these models often do not contain the same sets of input signals. Some signals, particularly PPG, are much less prevalent than others, and this has previously been addressed with techniques such as transfer learning. Additionally, only training on one or more fixed modalities precludes cross-modal information transfer from other sources, which has proved valuable in other problem domains. To address this, we introduce wav2sleep, a unified model designed to operate on variable sets of input signals during training and inference. After jointly training on over 10,000 overnight recordings from six publicly available polysomnography datasets, including SHHS and MESA, wav2sleep outperforms existing sleep stage classification models across test-time input combinations including ECG, PPG, and respiratory signals.
Authors: Yassine Abbahaddou, Fragkiskos D. Malliaros, Johannes F. Lutzeyer, Michalis Vazirgiannis
Abstract: Graph Shift Operators (GSOs), such as the adjacency and graph Laplacian matrices, play a fundamental role in graph theory and graph representation learning. Traditional GSOs are typically constructed by normalizing the adjacency matrix by the degree matrix, a local centrality metric. In this work, we instead propose and study Centrality GSOs (CGSOs), which normalize adjacency matrices by global centrality metrics such as the PageRank, $k$-core or count of fixed length walks. We study spectral properties of the CGSOs, allowing us to get an understanding of their action on graph signals. We confirm this understanding by defining and running the spectral clustering algorithm based on different CGSOs on several synthetic and real-world datasets. We furthermore outline how our CGSO can act as the message passing operator in any Graph Neural Network and in particular demonstrate strong performance of a variant of the Graph Convolutional Network and Graph Attention Network using our CGSOs on several real-world benchmark datasets.
Authors: Benjamin Ng, Chi-en Amy Tai, E. Zhixuan Zeng, Alexander Wong
Abstract: In the United States, prostate cancer is the second leading cause of deaths in males with a predicted 35,250 deaths in 2024. However, most diagnoses are non-lethal and deemed clinically insignificant which means that the patient will likely not be impacted by the cancer over their lifetime. As a result, numerous research studies have explored the accuracy of predicting clinical significance of prostate cancer based on magnetic resonance imaging (MRI) modalities and deep neural networks. Despite their high performance, these models are not trusted by most clinical scientists as they are trained solely on a single modality whereas clinical scientists often use multiple magnetic resonance imaging modalities during their diagnosis. In this paper, we investigate combining multiple MRI modalities to train a deep learning model to enhance trust in the models for clinically significant prostate cancer prediction. The promising performance and proposed training pipeline showcase the benefits of incorporating multiple MRI modalities for enhanced trust and accuracy.
Authors: Xinxing Zhou, Jiaqi Ye, Shubao Zhao, Ming Jin, Chengyi Yang, Yanlong Wen, Xiaojie Yuan
Abstract: The exponential growth of multivariate time series data from sensor networks in domains like industrial monitoring and smart cities requires efficient and accurate forecasting models. Current deep learning methods often fail to adequately capture long-range dependencies and complex inter-variable relationships, especially under real-time processing constraints. These limitations arise as many models are optimized for either short-term forecasting with limited receptive fields or long-term accuracy at the cost of efficiency. Additionally, dynamic and intricate interactions between variables in real-world data further complicate modeling efforts. To address these limitations, we propose EffiCANet, an Efficient Convolutional Attention Network designed to enhance forecasting accuracy while maintaining computational efficiency. EffiCANet integrates three key components: (1) a Temporal Large-kernel Decomposed Convolution (TLDC) module that captures long-term temporal dependencies while reducing computational overhead; (2) an Inter-Variable Group Convolution (IVGC) module that captures complex and evolving relationships among variables; and (3) a Global Temporal-Variable Attention (GTVA) mechanism that prioritizes critical temporal and inter-variable features. Extensive evaluations across nine benchmark datasets show that EffiCANet achieves the maximum reduction of 10.02% in MAE over state-of-the-art models, while cutting computational costs by 26.2% relative to conventional large-kernel convolution methods, thanks to its efficient decomposition strategy.
Authors: Zhiyu Shao, Qiong Wu, Pingyi Fan, Kezhi Wang, Qiang Fan, Wen Chen, Khaled B. Letaief
Abstract: This paper presents a semantic-aware multi-modal resource allocation (SAMRA) for multi-task using multi-agent reinforcement learning (MARL), termed SAMRAMARL, utilizing in platoon systems where cellular vehicle-to-everything (C-V2X) communication is employed. The proposed approach leverages the semantic information to optimize the allocation of communication resources. By integrating a distributed multi-agent reinforcement learning (MARL) algorithm, SAMRAMARL enables autonomous decision-making for each vehicle, channel assignment optimization, power allocation, and semantic symbol length based on the contextual importance of the transmitted information. This semantic-awareness ensures that both vehicle-to-vehicle (V2V) and vehicle-to-infrastructure (V2I) communications prioritize data that is critical for maintaining safe and efficient platoon operations. The framework also introduces a tailored quality of experience (QoE) metric for semantic communication, aiming to maximize QoE in V2V links while improving the success rate of semantic information transmission (SRS). Extensive simulations has demonstrated that SAMRAMARL outperforms existing methods, achieving significant gains in QoE and communication efficiency in C-V2X platooning scenarios.
Authors: Marlon Tobaben, Marcus Klasson, Rui Li, Arno Solin, Antti Honkela
Abstract: This work explores the intersection of continual learning (CL) and differential privacy (DP). Crucially, continual learning models must retain knowledge across tasks, but this conflicts with the differential privacy requirement of restricting individual samples to be memorised in the model. We propose using pre-trained models to address the trade-offs between privacy and performance in a continual learning setting.More specifically, we present necessary assumptions to enable privacy-preservation and propose combining pre-trained models with parameter-free classifiers and parameter-efficient adapters that are learned under differential privacy. Our experiments demonstrate their effectiveness and provide insights into balancing the competing demands of continual learning and privacy.
Authors: Coenraad Mouton, Randle Rabe, Dani\"el G. Haasbroek, Marthinus W. Theunissen, Hermanus L. Potgieter, Marelie H. Davel
Abstract: It has been observed that the input space of deep neural network classifiers can exhibit `fragmentation', where the model function rapidly changes class as the input space is traversed. The severity of this fragmentation tends to follow the double descent curve, achieving a maximum at the interpolation regime. We study this phenomenon in the context of image classification and ask whether fragmentation could be predictive of generalization performance. Using a fragmentation-based complexity measure, we show this to be possible by achieving good performance on the PGDL (Predicting Generalization in Deep Learning) benchmark. In addition, we report on new observations related to fragmentation, namely (i) fragmentation is not limited to the input space but occurs in the hidden representations as well, (ii) fragmentation follows the trends in the validation error throughout training, and (iii) fragmentation is not a direct result of increased weight norms. Together, this indicates that fragmentation is a phenomenon worth investigating further when studying the generalization ability of deep neural networks.
Authors: Samuel J. Bell, Skyler Wang
Abstract: Learning correlations from data forms the foundation of today's machine learning (ML) and artificial intelligence (AI) research. While such an approach enables the automatic discovery of patterned relationships within big data corpora, it is susceptible to failure modes when unintended correlations are captured. This vulnerability has expanded interest in interrogating spuriousness, often critiqued as an impediment to model performance, fairness, and robustness. In this article, we trace deviations from the conventional definition of statistical spuriousness-which denotes a non-causal observation arising from either coincidence or confounding variables-to articulate how ML researchers make sense of spuriousness in practice. Drawing on a broad survey of ML literature, we conceptualize the "multiple dimensions of spuriousness," encompassing: relevance ("Models should only use correlations that are relevant to the task."), generalizability ("Models should only use correlations that generalize to unseen data"), human-likeness ("Models should only use correlations that a human would use to perform the same task"), and harmfulness ("Models should only use correlations that are not harmful"). These dimensions demonstrate that ML spuriousness goes beyond the causal/non-causal dichotomy and that the disparate interpretative paths researchers choose could meaningfully influence the trajectory of ML development. By underscoring how a fundamental problem in ML is contingently negotiated in research contexts, we contribute to ongoing debates about responsible practices in AI development.
Authors: Chengxin Hu, Hao Li
Abstract: Following the milestones in large language models (LLMs) and multimodal models, we have seen a surge in applying LLMs to biochemical tasks. Leveraging graph features and molecular text representations, LLMs can tackle various tasks, such as predicting chemical reaction outcomes and describing molecular properties. However, most current work overlooks the multi-level nature of graph features. The impact of different feature levels on LLMs and the importance of each level remain unexplored, and it is possible that different chemistry tasks require different feature levels. In this work, we first investigate the effect of feature granularity by fusing GNN-generated feature tokens, discovering that even reducing all tokens to a single token does not significantly impact performance. We then explore the effect of various feature levels on performance, finding that both the quality of LLM-generated molecules and performance on different tasks benefit from different feature levels. We conclude with two key insights: (1) current molecular Multimodal LLMs(MLLMs) lack a comprehensive understanding of graph features, and (2) static processing is not sufficient for hierarchical graph feature. Our code will be publicly available soon.
Authors: Zheng Zhai, Xiaohui Li
Abstract: Matrix Factorization has emerged as a widely adopted framework for modeling data exhibiting low-rank structures. To address challenges in manifold learning, this paper presents a subspace-constrained quadratic matrix factorization model. The model is designed to jointly learn key low-dimensional structures, including the tangent space, the normal subspace, and the quadratic form that links the tangent space to a low-dimensional representation. We solve the proposed factorization model using an alternating minimization method, involving an in-depth investigation of nonlinear regression and projection subproblems. Theoretical properties of the quadratic projection problem and convergence characteristics of the alternating strategy are also investigated. To validate our approach, we conduct numerical experiments on synthetic and real-world datasets. Results demonstrate that our model outperforms existing methods, highlighting its robustness and efficacy in capturing core low-dimensional structures.
Authors: Wojciech {\L}apacz, Daniel Marczak, Filip Szatkowski, Tomasz Trzci\'nski
Abstract: Continual learning (CL) has emerged as a critical area in machine learning, enabling neural networks to learn from evolving data distributions while mitigating catastrophic forgetting. However, recent research has identified the stability gap -- a phenomenon where models initially lose performance on previously learned tasks before partially recovering during training. Such learning dynamics are contradictory to the intuitive understanding of stability in continual learning where one would expect the performance to degrade gradually instead of rapidly decreasing and then partially recovering later. To better understand and alleviate the stability gap, we investigate it at different levels of the neural network architecture, particularly focusing on the role of the classification head. We introduce the nearest-mean classifier (NMC) as a tool to attribute the influence of the backbone and the classification head on the stability gap. Our experiments demonstrate that NMC not only improves final performance, but also significantly enhances training stability across various continual learning benchmarks, including CIFAR100, ImageNet100, CUB-200, and FGVC Aircrafts. Moreover, we find that NMC also reduces task-recency bias. Our analysis provides new insights into the stability gap and suggests that the primary contributor to this phenomenon is the linear head, rather than the insufficient representation learning.
Authors: Dengyu Wu, Jiechen Chen, Bipin Rajendran, H. Vincent Poor, Osvaldo Simeone
Abstract: Inspired by biological processes, neuromorphic computing utilizes spiking neural networks (SNNs) to perform inference tasks, offering significant efficiency gains for workloads involving sequential data. Recent advances in hardware and software have demonstrated that embedding a few bits of payload in each spike exchanged between the spiking neurons can further enhance inference accuracy. In a split computing architecture, where the SNN is divided across two separate devices, the device storing the first layers must share information about the spikes generated by the local output neurons with the other device. Consequently, the advantages of multi-level spikes must be balanced against the challenges of transmitting additional bits between the two devices. This paper addresses these challenges by investigating a wireless neuromorphic split computing architecture employing multi-level SNNs. For this system, we present the design of digital and analog modulation schemes optimized for an orthogonal frequency division multiplexing (OFDM) radio interface. Simulation and experimental results using software-defined radios provide insights into the performance gains of multi-level SNN models and the optimal payload size as a function of the quality of the connection between a transmitter and receiver.
Authors: Felix Petersen, Hilde Kuehne, Christian Borgelt, Julian Welzel, Stefano Ermon
Abstract: With the increasing inference cost of machine learning models, there is a growing interest in models with fast and efficient inference. Recently, an approach for learning logic gate networks directly via a differentiable relaxation was proposed. Logic gate networks are faster than conventional neural network approaches because their inference only requires logic gate operators such as NAND, OR, and XOR, which are the underlying building blocks of current hardware and can be efficiently executed. We build on this idea, extending it by deep logic gate tree convolutions, logical OR pooling, and residual initializations. This allows scaling logic gate networks up by over one order of magnitude and utilizing the paradigm of convolution. On CIFAR-10, we achieve an accuracy of 86.29% using only 61 million logic gates, which improves over the SOTA while being 29x smaller.
Authors: Hanyang Wang, Juergen Branke, Matthias Poloczek
Abstract: In many real-world optimization problems, we have prior information about what objective function values are achievable. In this paper, we study the scenario that we have either exact knowledge of the minimum value or a, possibly inexact, lower bound on its value. We propose bound-aware Bayesian optimization (BABO), a Bayesian optimization method that uses a new surrogate model and acquisition function to utilize such prior information. We present SlogGP, a new surrogate model that incorporates bound information and adapts the Expected Improvement (EI) acquisition function accordingly. Empirical results on a variety of benchmarks demonstrate the benefit of taking prior information about the optimal value into account, and that the proposed approach significantly outperforms existing techniques. Furthermore, we notice that even in the absence of prior information on the bound, the proposed SlogGP surrogate model still performs better than the standard GP model in most cases, which we explain by its larger expressiveness.
Authors: Sanja Karilanova, Maxime Fabre, Emre Neftci, Ay\c{c}a \"Oz\c{c}elikkale
Abstract: Spiking Neural Networks (SNNs) are biologically-inspired deep neural networks that efficiently extract temporal information while offering promising gains in terms of energy efficiency and latency when deployed on neuromorphic devices. However, SNN model parameters are sensitive to temporal resolution, leading to significant performance drops when the temporal resolution of target data at the edge is not the same with that of the pre-deployment source data used for training, especially when fine-tuning is not possible at the edge. To address this challenge, we propose three novel domain adaptation methods for adapting neuron parameters to account for the change in time resolution without re-training on target time-resolution. The proposed methods are based on a mapping between neuron dynamics in SNNs and State Space Models (SSMs); and are applicable to general neuron models. We evaluate the proposed methods under spatio-temporal data tasks, namely the audio keyword spotting datasets SHD and MSWC as well as the image classification NMINST dataset. Our methods provide an alternative to - and in majority of the cases significantly outperform - the existing reference method that simply scales the time constant. Moreover, our results show that high accuracy on high temporal resolution data can be obtained by time efficient training on lower temporal resolution data and model adaptation.
Authors: Mohsen Dehghankar, Abolfazl Asudeh
Abstract: Due to a variety of reasons, such as privacy, data in the wild often misses the grouping information required for identifying minorities. On the other hand, it is known that machine learning models are only as good as the data they are trained on and, hence, may underperform for the under-represented minority groups. The missing grouping information presents a dilemma for responsible data scientists who find themselves in an unknown-unknown situation, where not only do they not have access to the grouping attributes but do not also know what groups to consider. This paper is an attempt to address this dilemma. Specifically, we propose a minority mining problem, where we find vectors in the attribute space that reveal potential groups that are under-represented and under-performing. Technically speaking, we propose a geometric transformation of data into a dual space and use notions such as the arrangement of hyperplanes to design an efficient algorithm for the problem in lower dimensions. Generalizing our solution to the higher dimensions is cursed by dimensionality. Therefore, we propose a solution based on smart exploration of the search space for such cases. We conduct comprehensive experiments using real-world and synthetic datasets alongside the theoretical analysis. Our experiment results demonstrate the effectiveness of our proposed solutions in mining the unknown, under-represented, and under-performing minorities.
Authors: Elija Deineko, Carina Kehrt
Abstract: Finding a feasible and prompt solution to the Vehicle Routing Problem (VRP) is a prerequisite for efficient freight transportation, seamless logistics, and sustainable mobility. Traditional optimization methods reach their limits when confronted with the real-world complexity of VRPs, which involve numerous constraints and objectives. Recently, the ability of generative Artificial Intelligence (AI) to solve combinatorial tasks, known as Neural Combinatorial Optimization (NCO), demonstrated promising results, offering new perspectives. In this study, we propose an NCO approach to solve a time-constrained capacitated VRP with a finite vehicle fleet size. The approach is based on an encoder-decoder architecture, formulated in line with the Policy Optimization with Multiple Optima (POMO) protocol and trained via a Proximal Policy Optimization (PPO) algorithm. We successfully trained the policy with multiple objectives (minimizing the total distance while maximizing vehicle utilization) and evaluated it on medium and large instances, benchmarking it against state-of-the-art heuristics. The method is able to find adequate and cost-efficient solutions, showing both flexibility and robust generalization. Finally, we provide a critical analysis of the solution generated by NCO and discuss the challenges and opportunities of this new branch of intelligent learning algorithms emerging in optimization science, focusing on freight transportation.
Authors: Lingyu Du, Yupei Liu, Jinyuan Jia, Guohao Lan
Abstract: Deep regression models are used in a wide variety of safety-critical applications, but are vulnerable to backdoor attacks. Although many defenses have been proposed for classification models, they are ineffective as they do not consider the uniqueness of regression models. First, the outputs of regression models are continuous values instead of discretized labels. Thus, the potential infected target of a backdoored regression model has infinite possibilities, which makes it impossible to be determined by existing defenses. Second, the backdoor behavior of backdoored deep regression models is triggered by the activation values of all the neurons in the feature space, which makes it difficult to be detected and mitigated using existing defenses. To resolve these problems, we propose DRMGuard, the first defense to identify if a deep regression model in the image domain is backdoored or not. DRMGuard formulates the optimization problem for reverse engineering based on the unique output-space and feature-space characteristics of backdoored deep regression models. We conduct extensive evaluations on two regression tasks and four datasets. The results show that DRMGuard can consistently defend against various backdoor attacks. We also generalize four state-of-the-art defenses designed for classifiers to regression models, and compare DRMGuard with them. The results show that DRMGuard significantly outperforms all those defenses.
Authors: Kirsten K\"obschall, Lisa Hartung, Stefan Kramer
Abstract: We propose soft Hoeffding trees (SoHoT) as a new differentiable and transparent model for possibly infinite and changing data streams. Stream mining algorithms such as Hoeffding trees grow based on the incoming data stream, but they currently lack the adaptability of end-to-end deep learning systems. End-to-end learning can be desirable if a feature representation is learned by a neural network and used in a tree, or if the outputs of trees are further processed in a deep learning model or workflow. Different from Hoeffding trees, soft trees can be integrated into such systems due to their differentiability, but are neither transparent nor explainable. Our novel model combines the extensibility and transparency of Hoeffding trees with the differentiability of soft trees. We introduce a new gating function to regulate the balance between univariate and multivariate splits in the tree. Experiments are performed on 20 data streams, comparing SoHoT to standard Hoeffding trees, Hoeffding trees with limited complexity, and soft trees applying a sparse activation function for sample routing. The results show that soft Hoeffding trees outperform Hoeffding trees in estimating class probabilities and, at the same time, maintain transparency compared to soft trees, with relatively small losses in terms of AUROC and cross-entropy. We also demonstrate how to trade off transparency against performance using a hyperparameter, obtaining univariate splits at one end of the spectrum and multivariate splits at the other.
Authors: W. Haensch
Abstract: Neuromorphic computing with crossbar arrays has emerged as a promising alternative to improve computing efficiency for machine learning. Previous work has focused on implementing crossbar arrays to perform basic mathematical operations. However, in this paper, we explore the impact of mapping the layers of an artificial neural network onto physical cross-bar arrays arranged in tiles across a chip. We have developed a simplified mapping algorithm to determine the number of physical tiles, with fixed optimal array dimensions, and to estimate the minimum area occupied by these tiles for a given design objective. This simplified algorithm is compared with conventional binary linear optimization, which solves the equivalent bin-packing problem. We have found that the optimum solution is not necessarily related to the minimum number of tiles; rather, it is shown to be an interaction between tile array capacity and the scaling properties of its peripheral circuits. Additionally, we have discovered that square arrays are not always the best choice for optimal mapping, and that performance optimization comes at the cost of total tile area
Authors: T. E. R\"ober, R. Goedhart, S. \.I. Birbil
Abstract: Explainable AI (XAI) holds the promise of advancing the implementation and adoption of AI-based tools in practice, especially in high-stakes environments like healthcare. However, most of the current research is disconnected from its practical applications and lacks input of end users. To address this, we conducted semi-structured interviews with clinicians to discuss their thoughts, hopes, and concerns. We find that clinicians generally think positively about developing AI-based tools for clinical practice, but they have concerns about how these will fit into their workflow and how it will impact clinician-patient relations. We further identify education of clinicians on AI as a crucial factor for the success of AI in healthcare and highlight aspects clinicians are looking for in (X)AI-based tools. In contrast to other studies, we take on a holistic and exploratory perspective to identify general requirements, which is necessary before moving on to testing specific (X)AI products for healthcare.
Authors: Klemens Fl\"oge, Srisruthi Udayakumar, Johanna Sommer, Marie Piraud, Stefan Kesselheim, Vincent Fortuin, Stephan G\"unneman, Karel J van der Weg, Holger Gohlke, Alina Bazarova, Erinc Merdivan
Abstract: Recent AI advances have enabled multi-modal systems to model and translate diverse information spaces. Extending beyond text and vision, we introduce OneProt, a multi-modal AI for proteins that integrates structural, sequence, alignment, and binding site data. Using the ImageBind framework, OneProt aligns the latent spaces of modality encoders along protein sequences. It demonstrates strong performance in retrieval tasks and surpasses state-of-the-art methods in various downstream tasks, including metal ion binding classification, gene-ontology annotation, and enzyme function prediction. This work expands multi-modal capabilities in protein models, paving the way for applications in drug discovery, biocatalytic reaction planning, and protein engineering.
Authors: Zhaoyang Zhang, Ziqi Chen, Qiao Liu, Jinhan Xie, Hongtu Zhu
Abstract: In this paper, we propose a novel framework, the Sampling-guided Heterogeneous Graph Neural Network (SHT-GNN), to effectively tackle the challenge of missing data imputation in longitudinal studies. Unlike traditional methods, which often require extensive preprocessing to handle irregular or inconsistent missing data, our approach accommodates arbitrary missing data patterns while maintaining computational efficiency. SHT-GNN models both observations and covariates as distinct node types, connecting observation nodes at successive time points through subject-specific longitudinal subnetworks, while covariate-observation interactions are represented by attributed edges within bipartite graphs. By leveraging subject-wise mini-batch sampling and a multi-layer temporal smoothing mechanism, SHT-GNN efficiently scales to large datasets, while effectively learning node representations and imputing missing data. Extensive experiments on both synthetic and real-world datasets, including the Alzheimer's Disease Neuroimaging Initiative (ADNI) dataset, demonstrate that SHT-GNN significantly outperforms existing imputation methods, even with high missing data rates. The empirical results highlight SHT-GNN's robust imputation capabilities and superior performance, particularly in the context of complex, large-scale longitudinal data.
Authors: Zhaoyang Zhang, Hongtu Zhu, Ziqi Chen, Yingjie Zhang, Hai Shu
Abstract: In this paper, we aim to address a significant challenge in the field of missing data imputation: identifying and leveraging the interdependencies among features to enhance missing data imputation for tabular data. We introduce a novel framework named the Bipartite and Complete Directed Graph Neural Network (BCGNN). Within BCGNN, observations and features are differentiated as two distinct node types, and the values of observed features are converted into attributed edges linking them. The bipartite segment of our framework inductively learns embedding representations for nodes, efficiently utilizing the comprehensive information encapsulated in the attributed edges. In parallel, the complete directed graph segment adeptly outlines and communicates the complex interdependencies among features. When compared to contemporary leading imputation methodologies, BCGNN consistently outperforms them, achieving a noteworthy average reduction of 15% in mean absolute error for feature imputation tasks under different missing mechanisms. Our extensive experimental investigation confirms that an in-depth grasp of the interdependence structure substantially enhances the model's feature embedding ability. We also highlight the model's superior performance in label prediction tasks involving missing data, and its formidable ability to generalize to unseen data points.
Authors: Sara Klein, Xiangyuan Zhang, Tamer Ba\c{s}ar, Simon Weissmann, Leif D\"oring
Abstract: In this work, we study $\gamma$-discounted infinite-horizon tabular Markov decision processes (MDPs) and introduce a framework called dynamic policy gradient (DynPG). The framework directly integrates dynamic programming with (any) policy gradient method, explicitly leveraging the Markovian property of the environment. DynPG dynamically adjusts the problem horizon during training, decomposing the original infinite-horizon MDP into a sequence of contextual bandit problems. By iteratively solving these contextual bandits, DynPG converges to the stationary optimal policy of the infinite-horizon MDP. To demonstrate the power of DynPG, we establish its non-asymptotic global convergence rate under the tabular softmax parametrization, focusing on the dependencies on salient but essential parameters of the MDP. By combining classical arguments from dynamic programming with more recent convergence arguments of policy gradient schemes, we prove that softmax DynPG scales polynomially in the effective horizon $(1-\gamma)^{-1}$. Our findings contrast recent exponential lower bound examples for vanilla policy gradient.
Authors: Bavo Lesy, Ali Anwar, Siegfried Mercelis
Abstract: Recently, there has been growing interest in autonomous shipping due to its potential to improve maritime efficiency and safety. The use of advanced technologies, such as artificial intelligence, can address the current navigational and operational challenges in autonomous shipping. In particular, inland waterway transport (IWT) presents a unique set of challenges, such as crowded waterways and variable environmental conditions. In such dynamic settings, the reliability and robustness of autonomous shipping solutions are critical factors for ensuring safe operations. This paper examines the robustness of benchmark deep reinforcement learning (RL) algorithms, implemented for IWT within an autonomous shipping simulator, and their ability to generate effective motion planning policies. We demonstrate that a model-free approach can achieve an adequate policy in the simulator, successfully navigating port environments never encountered during training. We focus particularly on Soft-Actor Critic (SAC), which we show to be inherently more robust to environmental disturbances compared to MuZero, a state-of-the-art model-based RL algorithm. In this paper, we take a significant step towards developing robust, applied RL frameworks that can be generalized to various vessel types and navigate complex port- and inland environments and scenarios.
Authors: Jiechao Gao, Yuangang Li, Syeda Faiza Ahmed
Abstract: The rapid acceleration of global urbanization has introduced novel challenges in enhancing urban infrastructure and services. Spatio-temporal data, integrating spatial and temporal dimensions, has emerged as a critical tool for understanding urban phenomena and promoting sustainability. In this context, Federated Learning (FL) has gained prominence as a distributed learning paradigm aligned with the privacy requirements of urban IoT environments. However, integrating traditional and deep learning models into the FL framework poses significant challenges, particularly in capturing complex spatio-temporal dependencies and adapting to diverse urban conditions. To address these challenges, we propose the Federated Local Data-Infused Graph Creation with Node-centric Model Refinement (Fed-LDR) algorithm. Fed-LDR leverages FL and Graph Convolutional Networks (GCN) to enhance spatio-temporal data analysis in urban environments. The algorithm comprises two key modules: (1) the Local Data-Infused Graph Creation (LDIGC) module, which dynamically reconfigures adjacency matrices to reflect evolving spatial relationships within urban environments, and (2) the Node-centric Model Refinement (NoMoR) module, which customizes model parameters for individual urban nodes to accommodate heterogeneity. Evaluations on the PeMSD4 and PeMSD8 datasets demonstrate Fed-LDR's superior performance over six baseline methods. Fed-LDR achieved the lowest Mean Absolute Error (MAE) values of 20.15 and 17.30, and the lowest Root Mean Square Error (RMSE) values of 32.30 and 27.15, respectively, while maintaining a high correlation coefficient of 0.96 across both datasets. Notably, on the PeMSD4 dataset, Fed-LDR reduced MAE and RMSE by up to 81\% and 78\%, respectively, compared to the best-performing baseline FedMedian.
Authors: Usman Anwar, Ashish Pandian, Jia Wan, David Krueger, Jakob Foerster
Abstract: Zero-shot coordination (ZSC) is a popular setting for studying the ability of reinforcement learning (RL) agents to coordinate with novel partners. Prior ZSC formulations assume the $\textit{problem setting}$ is common knowledge: each agent knows the underlying Dec-POMDP, knows others have this knowledge, and so on ad infinitum. However, this assumption rarely holds in complex real-world settings, which are often difficult to fully and correctly specify. Hence, in settings where this common knowledge assumption is invalid, agents trained using ZSC methods may not be able to coordinate well. To address this limitation, we formulate the $\textit{noisy zero-shot coordination}$ (NZSC) problem. In NZSC, agents observe different noisy versions of the ground truth Dec-POMDP, which are assumed to be distributed according to a fixed noise model. Only the distribution of ground truth Dec-POMDPs and the noise model are common knowledge. We show that a NZSC problem can be reduced to a ZSC problem by designing a meta-Dec-POMDP with an augmented state space consisting of all the ground-truth Dec-POMDPs. For solving NZSC problems, we propose a simple and flexible meta-learning method called NZSC training, in which the agents are trained across a distribution of coordination problems - which they only get to observe noisy versions of. We show that with NZSC training, RL agents can be trained to coordinate well with novel partners even when the (exact) problem setting of the coordination is not common knowledge.
Authors: Nikita Karagodin, Yury Polyanskiy, Philippe Rigollet
Abstract: This work presents a modification of the self-attention dynamics proposed by Geshkovski et al. (arXiv:2312.10794) to better reflect the practically relevant, causally masked attention used in transformer architectures for generative AI. This modification translates into an interacting particle system that cannot be interpreted as a mean-field gradient flow. Despite this loss of structure, we significantly strengthen the results of Geshkovski et al. (arXiv:2312.10794) in this context: While previous rigorous results focused on cases where all three matrices (Key, Query, and Value) were scaled identities, we prove asymptotic convergence to a single cluster for arbitrary key-query matrices and a value matrix equal to the identity. Additionally, we establish a connection to the classical R\'enyi parking problem from combinatorial geometry to make initial theoretical steps towards demonstrating the existence of meta-stable states.
Authors: Kieran A. Murphy, Zhuowen Yin, Dani S. Bassett
Abstract: Whether the system under study is a shoal of fish, a collection of neurons, or a set of interacting atmospheric and oceanic processes, transfer entropy measures the flow of information between time series and can detect possible causal relationships. Much like mutual information, transfer entropy is generally reported as a single value summarizing an amount of shared variation, yet a more fine-grained accounting might illuminate much about the processes under study. Here we propose to decompose transfer entropy and localize the bits of variation on both sides of information flow: that of the originating process's past and that of the receiving process's future. We employ the information bottleneck (IB) to compress the time series and identify the transferred entropy. We apply our method to decompose the transfer entropy in several synthetic recurrent processes and an experimental mouse dataset of concurrent behavioral and neural activity. Our approach highlights the nuanced dynamics within information flow, laying a foundation for future explorations into the intricate interplay of temporal processes in complex systems.
Authors: Marcos Faundez-Zanuy, Josep Lopez-Xarbau, Moises Diaz, Manuel Garnacho-Casta\~no
Abstract: This paper examines the saturation of pressure signals during various handwriting tasks, including drawings, cursive text, capital words text, and signature, under different levels of fatigue. Experimental results demonstrate a significant rise in the proportion of saturated samples following strenuous exercise in tasks performed without resting wrist. The analysis of saturation highlights significant differences when comparing the results to the baseline situation and strenuous fatigue.
Authors: Dante Everaert, Rohit Patki, Tianqi Zheng, Christopher Potts
Abstract: Query Autocomplete (QAC) is a critical feature in modern search engines, facilitating user interaction by predicting search queries based on input prefixes. Despite its widespread adoption, the absence of large-scale, realistic datasets has hindered advancements in QAC system development. This paper addresses this gap by introducing AmazonQAC, a new QAC dataset sourced from Amazon Search logs, comprising 395M samples. The dataset includes actual sequences of user-typed prefixes leading to final search terms, as well as session IDs and timestamps that support modeling the context-dependent aspects of QAC. We assess Prefix Trees, semantic retrieval, and Large Language Models (LLMs) with and without finetuning. We find that finetuned LLMs perform best, particularly when incorporating contextual information. However, even our best system achieves only half of what we calculate is theoretically possible on our test data, which implies QAC is a challenging problem that is far from solved with existing systems. This contribution aims to stimulate further research on QAC systems to better serve user needs in diverse environments. We open-source this data on Hugging Face at https://huggingface.co/datasets/amazon/AmazonQAC.
Authors: Keir Adams, Kento Abeywardane, Jenna Fromer, Connor W. Coley
Abstract: Engineering molecules to exhibit precise 3D intermolecular interactions with their environment forms the basis of chemical design. In ligand-based drug design, bioisosteric analogues of known bioactive hits are often identified by virtually screening chemical libraries with shape, electrostatic, and pharmacophore similarity scoring functions. We instead hypothesize that a generative model which learns the joint distribution over 3D molecular structures and their interaction profiles may facilitate 3D interaction-aware chemical design. We specifically design ShEPhERD, an SE(3)-equivariant diffusion model which jointly diffuses/denoises 3D molecular graphs and representations of their shapes, electrostatic potential surfaces, and (directional) pharmacophores to/from Gaussian noise. Inspired by traditional ligand discovery, we compose 3D similarity scoring functions to assess ShEPhERD's ability to conditionally generate novel molecules with desired interaction profiles. We demonstrate ShEPhERD's potential for impact via exemplary drug design tasks including natural product ligand hopping, protein-blind bioactive hit diversification, and bioisosteric fragment merging.
Authors: Xudong Wang, Hongyang Du, Dusit Niyato, Lijie Zhou, Lei Feng, Zhixiang Yang, Fanqin Zhou, Wenjing Li
Abstract: In wireless networks, applying deep learning models to solve matching problems between different entities has become a mainstream and effective approach. However, the complex network topology in 6G multiple access presents significant challenges for the real-time performance and stability of matching generation. Generative artificial intelligence (GenAI) has demonstrated strong capabilities in graph feature extraction, exploration, and generation, offering potential for graph-structured matching generation. In this paper, we propose a GenAI-enabled matching generation framework to support 6G multiple access. Specifically, we first summarize the classical matching theory, discuss common GenAI models and applications from the perspective of matching generation. Then, we propose a framework based on generative diffusion models (GDMs) that iteratively denoises toward reward maximization to generate a matching strategy that meets specific requirements. Experimental results show that, compared to decision-based AI approaches, our framework can generate more effective matching strategies based on given conditions and predefined rewards, helping to solve complex problems in 6G multiple access, such as task allocation.
Authors: Momin Haider, Ming Yin, Menglei Zhang, Arpit Gupta, Jing Zhu, Yu-Xiang Wang
Abstract: Mobile devices such as smartphones, laptops, and tablets can often connect to multiple access networks (e.g., Wi-Fi, LTE, and 5G) simultaneously. Recent advancements facilitate seamless integration of these connections below the transport layer, enhancing the experience for apps that lack inherent multi-path support. This optimization hinges on dynamically determining the traffic distribution across networks for each device, a process referred to as \textit{multi-access traffic splitting}. This paper introduces \textit{NetworkGym}, a high-fidelity network environment simulator that facilitates generating multiple network traffic flows and multi-access traffic splitting. This simulator facilitates training and evaluating different RL-based solutions for the multi-access traffic splitting problem. Our initial explorations demonstrate that the majority of existing state-of-the-art offline RL algorithms (e.g. CQL) fail to outperform certain hand-crafted heuristic policies on average. This illustrates the urgent need to evaluate offline RL algorithms against a broader range of benchmarks, rather than relying solely on popular ones such as D4RL. We also propose an extension to the TD3+BC algorithm, named Pessimistic TD3 (PTD3), and demonstrate that it outperforms many state-of-the-art offline RL algorithms. PTD3's behavioral constraint mechanism, which relies on value-function pessimism, is theoretically motivated and relatively simple to implement.
Authors: Radheesh Sharma Meda, Amir Barati Farimani
Abstract: Identifying drug-target interactions is essential for developing effective therapeutics. Binding affinity quantifies these interactions, and traditional approaches rely on computationally intensive 3D structural data. In contrast, language models can efficiently process sequential data, offering an alternative approach to molecular representation. In the current study, we introduce BAPULM, an innovative sequence-based framework that leverages the chemical latent representations of proteins via ProtT5-XL-U50 and ligands through MolFormer, eliminating reliance on complex 3D configurations. Our approach was validated extensively on benchmark datasets, achieving scoring power (R) values of 0.925 $\pm$ 0.043, 0.914 $\pm$ 0.004, and 0.8132 $\pm$ 0.001 on benchmark1k2101, Test2016_290, and CSAR-HiQ_36, respectively. These findings indicate the robustness and accuracy of BAPULM across diverse datasets and underscore the potential of sequence-based models in-silico drug discovery, offering a scalable alternative to 3D-centric methods for screening potential ligands.
Authors: Salma Hassan, Dawlat Akaila, Maryam Arjemandi, Vijay Papineni, Mohammad Yaqub
Abstract: In the complex realm of cognitive disorders, Alzheimer's disease (AD) and vascular dementia (VaD) are the two most prevalent dementia types, presenting entangled symptoms yet requiring distinct treatment approaches. The crux of effective treatment in slowing neurodegeneration lies in early, accurate diagnosis, as this significantly assists doctors in determining the appropriate course of action. However, current diagnostic practices often delay VaD diagnosis, impeding timely intervention and adversely affecting patient prognosis. This paper presents an innovative multi-omics approach to accurately differentiate AD from VaD, achieving a diagnostic accuracy of 89.25%. The proposed method segments the longitudinal MRI scans and extracts advanced radiomics features. Subsequently, it synergistically integrates the radiomics features with an ensemble of clinical, cognitive, and genetic data to provide state-of-the-art diagnostic accuracy, setting a new benchmark in classification accuracy on a large public dataset. The paper's primary contribution is proposing a comprehensive methodology utilizing multi-omics data to provide a nuanced understanding of dementia subtypes. Additionally, the paper introduces an interpretable model to enhance clinical decision-making coupled with a novel model architecture for evaluating treatment efficacy. These advancements lay the groundwork for future work not only aimed at improving differential diagnosis but also mitigating and preventing the progression of dementia.
Authors: Nana Lin, Youxiang Zhu, Xiaohui Liang, John A. Batsis, Caroline Summerour
Abstract: Mild cognitive impairment (MCI) is a major public health concern due to its high risk of progressing to dementia. This study investigates the potential of detecting MCI with spontaneous voice assistant (VA) commands from 35 older adults in a controlled setting. Specifically, a command-generation task is designed with pre-defined intents for participants to freely generate commands that are more associated with cognitive ability than read commands. We develop MCI classification and regression models with audio, textual, intent, and multimodal fusion features. We find the command-generation task outperforms the command-reading task with an average classification accuracy of 82%, achieved by leveraging multimodal fusion features. In addition, generated commands correlate more strongly with memory and attention subdomains than read commands. Our results confirm the effectiveness of the command-generation task and imply the promise of using longitudinal in-home commands for MCI detection.
Authors: Han Zhang, Medhat Elsayed, Majid Bavand, Raimundas Gaigalas, Yigit Ozcan, Melike Erol-Kantarci
Abstract: Federated learning (FL) is an innovative distributed artificial intelligence (AI) technique. It has been used for interdisciplinary studies in different fields such as healthcare, marketing and finance. However the application of FL in wireless networks is still in its infancy. In this work, we first overview benefits and concerns when applying FL to wireless networks. Next, we provide a new perspective on existing personalized FL frameworks by analyzing the relationship between cooperation and personalization in these frameworks. Additionally, we discuss the possibility of tuning the cooperation level with a choice-based approach. Our choice-based FL approach is a flexible and safe FL framework that allows participants to lower the level of cooperation when they feel unsafe or unable to benefit from the cooperation. In this way, the choice-based FL framework aims to address the safety and fairness concerns in FL and protect participants from malicious attacks.
Authors: Niklas Schmidinger, Lisa Schneckenreiter, Philipp Seidl, Johannes Schimunek, Pieter-Jan Hoedt, Johannes Brandstetter, Andreas Mayr, Sohvi Luukkonen, Sepp Hochreiter, G\"unter Klambauer
Abstract: Language models for biological and chemical sequences enable crucial applications such as drug discovery, protein engineering, and precision medicine. Currently, these language models are predominantly based on Transformer architectures. While Transformers have yielded impressive results, their quadratic runtime dependency on the sequence length complicates their use for long genomic sequences and in-context learning on proteins and chemical sequences. Recently, the recurrent xLSTM architecture has been shown to perform favorably compared to Transformers and modern state-space model (SSM) architectures in the natural language domain. Similar to SSMs, xLSTMs have a linear runtime dependency on the sequence length and allow for constant-memory decoding at inference time, which makes them prime candidates for modeling long-range dependencies in biological and chemical sequences. In this work, we tailor xLSTM towards these domains and propose a suite of architectural variants called Bio-xLSTM. Extensive experiments in three large domains, genomics, proteins, and chemistry, were performed to assess xLSTM's ability to model biological and chemical sequences. The results show that models based on Bio-xLSTM a) can serve as proficient generative models for DNA, protein, and chemical sequences, b) learn rich representations for those modalities, and c) can perform in-context learning for proteins and small molecules.
Authors: Jianyi Yang, Pengfei Li, Adam Wierman, Shaolei Ren
Abstract: Online Budgeted Matching (OBM) is a classic problem with important applications in online advertising, online service matching, revenue management, and beyond. Traditional online algorithms typically assume a small bid setting, where the maximum bid-to-budget ratio (\kappa) is infinitesimally small. While recent algorithms have tried to address scenarios with non-small or general bids, they often rely on the Fractional Last Matching (FLM) assumption, which allows for accepting partial bids when the remaining budget is insufficient. This assumption, however, does not hold for many applications with indivisible bids. In this paper, we remove the FLM assumption and tackle the open problem of OBM with general bids. We first establish an upper bound of 1-\kappa on the competitive ratio for any deterministic online algorithm. We then propose a novel meta algorithm, called MetaAd, which reduces to different algorithms with first known provable competitive ratios parameterized by the maximum bid-to-budget ratio \kappa \in [0, 1]. As a by-product, we extend MetaAd to the FLM setting and get provable competitive algorithms. Finally, we apply our competitive analysis to the design learning-augmented algorithms.
Authors: Kymani T. K. Armstrong-Williams, Edward Hirst, Blake Jackson, Kyu-Hwan Lee
Abstract: Machine learning (ML) has emerged as a powerful tool in mathematical research in recent years. This paper applies ML techniques to the study of quivers--a type of directed multigraph with significant relevance in algebra, combinatorics, computer science, and mathematical physics. Specifically, we focus on the challenging problem of determining the mutation-acyclicity of a quiver on 4 vertices, a property that is pivotal since mutation-acyclicity is often a necessary condition for theorems involving path algebras and cluster algebras. Although this classification is known for quivers with at most 3 vertices, little is known about quivers on more than 3 vertices. We give a computer-assisted proof of a theorem to prove that mutation-acyclicity is decidable for quivers on 4 vertices with edge weight at most 2. By leveraging neural networks (NNs) and support vector machines (SVMs), we then accurately classify more general 4-vertex quivers as mutation-acyclic or non-mutation-acyclic. Our results demonstrate that ML models can efficiently detect mutation-acyclicity, providing a promising computational approach to this combinatorial problem, from which the trained SVM equation provides a starting point to guide future theoretical development.
Authors: Alexander Decruyenaere, Heidelinde Dehaene, Paloma Rabaey, Christiaan Polet, Johan Decruyenaere, Thomas Demeester, Stijn Vansteelandt
Abstract: While synthetic data hold great promise for privacy protection, their statistical analysis poses significant challenges that necessitate innovative solutions. The use of deep generative models (DGMs) for synthetic data generation is known to induce considerable bias and imprecision into synthetic data analyses, compromising their inferential utility as opposed to original data analyses. This bias and uncertainty can be substantial enough to impede statistical convergence rates, even in seemingly straightforward analyses like mean calculation. The standard errors of such estimators then exhibit slower shrinkage with sample size than the typical 1 over root-$n$ rate. This complicates fundamental calculations like p-values and confidence intervals, with no straightforward remedy currently available. In response to these challenges, we propose a new strategy that targets synthetic data created by DGMs for specific data analyses. Drawing insights from debiased and targeted machine learning, our approach accounts for biases, enhances convergence rates, and facilitates the calculation of estimators with easily approximated large sample variances. We exemplify our proposal through a simulation study on toy data and two case studies on real-world data, highlighting the importance of tailoring DGMs for targeted data analysis. This debiasing strategy contributes to advancing the reliability and applicability of synthetic data in statistical inference.
Authors: Julian Strohmayer, Matthias W\"odlinger, Martin Kampel
Abstract: We propose WiFlexFormer, a highly efficient Transformer-based architecture designed for WiFi Channel State Information (CSI)-based person-centric sensing. We benchmark WiFlexFormer against state-of-the-art vision and specialized architectures for processing radio frequency data and demonstrate that it achieves comparable Human Activity Recognition (HAR) performance while offering a significantly lower parameter count and faster inference times. With an inference time of just 10 ms on an Nvidia Jetson Orin Nano, WiFlexFormer is optimized for real-time inference. Additionally, its low parameter count contributes to improved cross-domain generalization, where it often outperforms larger models. Our comprehensive evaluation shows that WiFlexFormer is a potential solution for efficient, scalable WiFi-based sensing applications. The PyTorch implementation of WiFlexFormer is publicly available at: https://github.com/StrohmayerJ/WiFlexFormer.
Authors: Taha Abdullah, Arjun Ashok, Brandon Estrada, Norman Matloff, Aditya Mittal
Abstract: The growing power of data science can play a crucial role in addressing social discrimination, necessitating nuanced understanding and effective mitigation strategies of potential biases. Data Science Looks At Discrimination (dsld) is an R and Python package designed to provide users with a comprehensive toolkit of statistical and graphical methods for assessing possible discrimination related to protected groups, such as race, gender, and age. Our software offers techniques for discrimination analysis by identifying and mitigating confounding variables, along with methods for reducing bias in predictive models. In educational settings, dsld offers instructors powerful tools to teach important statistical principles through motivating real world examples of discrimination analysis. The inclusion of an 80-page Quarto book further supports users, from statistics educators to legal professionals, in effectively applying these analytical tools to real world scenarios.
Authors: Praveen Nair, Payal Bhandari, Mohammadsajad Abavisani, Sergey Plis, David Danks
Abstract: In many causal learning problems, variables of interest are often not all measured over the same observations, but are instead distributed across multiple datasets with overlapping variables. Tillman et al. (2008) presented the first algorithm for enumerating the minimal equivalence class of ground-truth DAGs consistent with all input graphs by exploiting local independence relations, called ION. In this paper, this problem is formulated as a more computationally efficient answer set programming (ASP) problem, which we call ION-C, and solved with the ASP system clingo. The ION-C algorithm was run on random synthetic graphs with varying sizes, densities, and degrees of overlap between subgraphs, with overlap having the largest impact on runtime, number of solution graphs, and agreement within the output set. To validate ION-C on real-world data, we ran the algorithm on overlapping graphs learned from data from two successive iterations of the European Social Survey (ESS), using a procedure for conducting joint independence tests to prevent inconsistencies in the input.
Authors: Kaushik Ranade, Tanmay Khule, Riddhi More
Abstract: Human-computer interaction (HCI) has been a widely researched area for many years, with continuous advancements in technology leading to the development of new techniques that change the way we interact with computers. With the recent advent of powerful computers, we recognize human actions and interact accordingly, thus revolutionizing the way we interact with computers. The purpose of this paper is to provide a comparative analysis of various algorithms used for recognizing user faces and gestures in the context of computer vision and HCI. This study aims to explore and evaluate the performance of different algorithms in terms of accuracy, robustness, and efficiency. This study aims to provide a comprehensive analysis of algorithms for face and gesture recognition in the context of computer vision and HCI, with the goal of improving the design and development of interactive systems that are more intuitive, efficient, and user-friendly.
Authors: Mauricio Velasco, Kaiying O'Hare, Bernardo Rychtenberg, Soledad Villar
Abstract: Graph neural networks (GNNs) provide state-of-the-art results in a wide variety of tasks which typically involve predicting features at the vertices of a graph. They are built from layers of graph convolutions which serve as a powerful inductive bias for describing the flow of information among the vertices. Often, more than one data modality is available. This work considers a setting in which several graphs have the same vertex set and a common vertex-level learning task. This generalizes standard GNN models to GNNs with several graph operators that do not commute. We may call this model graph-tuple neural networks (GtNN). In this work, we develop the mathematical theory to address the stability and transferability of GtNNs using properties of non-commuting non-expansive operators. We develop a limit theory of graphon-tuple neural networks and use it to prove a universal transferability theorem that guarantees that all graph-tuple neural networks are transferable on convergent graph-tuple sequences. In particular, there is no non-transferable energy under the convergence we consider here. Our theoretical results extend well-known transferability theorems for GNNs to the case of several simultaneous graphs (GtNNs) and provide a strict improvement on what is currently known even in the GNN case. We illustrate our theoretical results with simple experiments on synthetic and real-world data. To this end, we derive a training procedure that provably enforces the stability of the resulting model.
Authors: Haolin Chen, Yihao Feng, Zuxin Liu, Weiran Yao, Akshara Prabhakar, Shelby Heinecke, Ricky Ho, Phil Mui, Silvio Savarese, Caiming Xiong, Huan Wang
Abstract: Large language models (LLMs) have shown impressive capabilities, but still struggle with complex reasoning tasks requiring multiple steps. While prompt-based methods like Chain-of-Thought (CoT) can improve LLM reasoning at inference time, optimizing reasoning capabilities during training remains challenging. We introduce LaTent Reasoning Optimization (LaTRO), a principled framework that formulates reasoning as sampling from a latent distribution and optimizes it via variational approaches. LaTRO enables LLMs to concurrently improve both their reasoning process and ability to evaluate reasoning quality, without requiring external feedback or reward models. We validate LaTRO through experiments on GSM8K and ARC-Challenge datasets using multiple model architectures. On GSM8K, LaTRO improves zero-shot accuracy by an average of 12.5% over base models and 9.6% over supervised fine-tuning across Phi-3.5-mini, Mistral-7B, and Llama-3.1-8B. Our findings suggest that pre-trained LLMs possess latent reasoning capabilities that can be unlocked and enhanced through our proposed optimization approach in a self-improvement manner. The code of LaTRO is available at \url{https://github.com/SalesforceAIResearch/LaTRO}.
Authors: Chen Ling, Mina Ghashami, Vianne Gao, Ali Torkamani, Ruslan Vaulin, Nivedita Mangam, Bhavya Jain, Farhan Diwan, Malini SS, Mingrui Cheng, Shreya Tarur Kumar, Felix Candelario
Abstract: Security controls are mechanisms or policies designed for cloud based services to reduce risk, protect information, and ensure compliance with security regulations. The development of security controls is traditionally a labor-intensive and time-consuming process. This paper explores the use of Generative AI to accelerate the generation of security controls. We specifically focus on generating Gherkin codes which are the domain-specific language used to define the behavior of security controls in a structured and understandable format. By leveraging large language models and in-context learning, we propose a structured framework that reduces the time required for developing security controls from 2-3 days to less than one minute. Our approach integrates detailed task descriptions, step-by-step instructions, and retrieval-augmented generation to enhance the accuracy and efficiency of the generated Gherkin code. Initial evaluations on AWS cloud services demonstrate promising results, indicating that GenAI can effectively streamline the security control development process, thus providing a robust and dynamic safeguard for cloud-based infrastructures.
Authors: Melusi Malinga, Isaac Lupanda, Mike Wa Nkongolo, Phil van Deventer
Abstract: South Africa and the Democratic Republic of Congo (DRC) present a complex linguistic landscape with languages such as Zulu, Sepedi, Afrikaans, French, English, and Tshiluba (Ciluba), which creates unique challenges for AI-driven translation and sentiment analysis systems due to a lack of accurately labeled data. This study seeks to address these challenges by developing a multilingual lexicon designed for French and Tshiluba, now expanded to include translations in English, Afrikaans, Sepedi, and Zulu. The lexicon enhances cultural relevance in sentiment classification by integrating language-specific sentiment scores. A comprehensive testing corpus is created to support translation and sentiment analysis tasks, with machine learning models such as Random Forest, Support Vector Machine (SVM), Decision Trees, and Gaussian Naive Bayes (GNB) trained to predict sentiment across low resource languages (LRLs). Among them, the Random Forest model performed particularly well, capturing sentiment polarity and handling language-specific nuances effectively. Furthermore, Bidirectional Encoder Representations from Transformers (BERT), a Large Language Model (LLM), is applied to predict context-based sentiment with high accuracy, achieving 99% accuracy and 98% precision, outperforming other models. The BERT predictions were clarified using Explainable AI (XAI), improving transparency and fostering confidence in sentiment classification. Overall, findings demonstrate that the proposed lexicon and machine learning models significantly enhance translation and sentiment analysis for LRLs in South Africa and the DRC, laying a foundation for future AI models that support underrepresented languages, with applications across education, governance, and business in multilingual contexts.
Authors: Mohammadhossein Malekpour, Nour Shaheen, Foutse Khomh, Amine Mhedhbi
Abstract: Text-to-SQL enables users to interact with databases through natural language, simplifying access to structured data. Although highly capable large language models (LLMs) achieve strong accuracy for complex queries, they incur unnecessary latency and dollar cost for simpler ones. In this paper, we introduce the first LLM routing approach for Text-to-SQL, which dynamically selects the most cost-effective LLM capable of generating accurate SQL for each query. We present two routing strategies (score- and classification-based) that achieve accuracy comparable to the most capable LLM while reducing costs. We design the routers for ease of training and efficient inference. In our experiments, we highlight a practical and explainable accuracy-cost trade-off on the BIRD dataset.
Authors: Xin Zhang, Victor S. Sheng
Abstract: Explainability is an essential reason limiting the application of neural networks in many vital fields. Although neuro-symbolic AI hopes to enhance the overall explainability by leveraging the transparency of symbolic learning, the results are less evident than imagined. This article proposes a classification for explainability by considering both model design and behavior of 191 studies from 2013, focusing on neuro-symbolic AI, hoping to inspire scholars who want to understand the explainability of neuro-symbolic AI. Precisely, we classify them into five categories by considering whether the form of bridging the representation differences is readable as their design factor, if there are representation differences between neural networks and symbolic logic learning, and whether a model decision or prediction process is understandable as their behavior factor: implicit intermediate representations and implicit prediction, partially explicit intermediate representations and partially explicit prediction, explicit intermediate representations or explicit prediction, explicit intermediate representation and explicit prediction, unified representation and explicit prediction. We also analyzed the research trends and three significant challenges: unified representations, explainability and transparency, and sufficient cooperation from neural networks and symbolic learning. Finally, we put forward suggestions for future research in three aspects: unified representations, enhancing model explainability, ethical considerations, and social impact.
Authors: Yijian Pan
Abstract: In this project, we reviewed a paper that deals graph-structured convex optimization (GSCO) problem with the approximate Frank-Wolfe (FW) algorithm. We analyzed and implemented the original algorithm and introduced some extensions based on that. Then we conducted experiments to compare the results and concluded that our backtracking line-search method effectively reduced the number of iterations, while our new DMO method (Top-g+ optimal visiting) did not make satisfying enough improvements.
Authors: Xin Zhang, Victor S. Sheng
Abstract: Neuro-symbolic AI is an effective method for improving the overall performance of AI models by combining the advantages of neural networks and symbolic learning. However, there are differences between the two in terms of how they process data, primarily because they often use different data representation methods, which is often an important factor limiting the overall performance of the two. From this perspective, we analyzed 191 studies from 2013 by constructing a four-level classification framework. The first level defines five types of representation spaces, and the second level focuses on five types of information modalities that the representation space can represent. Then, the third level describes four symbolic logic methods. Finally, the fourth-level categories propose three collaboration strategies between neural networks and symbolic learning. Furthermore, we conducted a detailed analysis of 46 research based on their representation space.
Authors: Yan Shuo Tan, Jason M. Klusowski, Krishnakumar Balasubramanian
Abstract: Models based on recursive partitioning such as decision trees and their ensembles are popular for high-dimensional regression as they can potentially avoid the curse of dimensionality. Because empirical risk minimization (ERM) is computationally infeasible, these models are typically trained using greedy algorithms. Although effective in many cases, these algorithms have been empirically observed to get stuck at local optima. We explore this phenomenon in the context of learning sparse regression functions over $d$ binary features, showing that when the true regression function $f^*$ does not satisfy the so-called Merged Staircase Property (MSP), greedy training requires $\exp(\Omega(d))$ to achieve low estimation error. Conversely, when $f^*$ does satisfy MSP, greedy training can attain small estimation error with only $O(\log d)$ samples. This performance mirrors that of two-layer neural networks trained with stochastic gradient descent (SGD) in the mean-field regime, thereby establishing a head-to-head comparison between SGD-trained neural networks and greedy recursive partitioning estimators. Furthermore, ERM-trained recursive partitioning estimators achieve low estimation error with $O(\log d)$ samples irrespective of whether $f^*$ satisfies MSP, thereby demonstrating a statistical-computational trade-off for greedy training. Our proofs are based on a novel interpretation of greedy recursive partitioning using stochastic process theory and a coupling technique that may be of independent interest.
Authors: Walter Gerych, Haoran Zhang, Kimia Hamidieh, Eileen Pan, Maanas Sharma, Thomas Hartvigsen, Marzyeh Ghassemi
Abstract: Vision-language model (VLM) embeddings have been shown to encode biases present in their training data, such as societal biases that prescribe negative characteristics to members of various racial and gender identities. VLMs are being quickly adopted for a variety of tasks ranging from few-shot classification to text-guided image generation, making debiasing VLM embeddings crucial. Debiasing approaches that fine-tune the VLM often suffer from catastrophic forgetting. On the other hand, fine-tuning-free methods typically utilize a "one-size-fits-all" approach that assumes that correlation with the spurious attribute can be explained using a single linear direction across all possible inputs. In this work, we propose Bend-VLM, a nonlinear, fine-tuning-free approach for VLM embedding debiasing that tailors the debiasing operation to each unique input. This allows for a more flexible debiasing approach. Additionally, we do not require knowledge of the set of inputs a priori to inference time, making our method more appropriate for online, open-set tasks such as retrieval and text guided image generation.
Authors: Prashank Kadam
Abstract: With the increasing number of financial services available online, the rate of financial fraud has also been increasing. The traffic and transaction rates on the internet have increased considerably, leading to a need for fast decision-making. Financial institutions also have stringent regulations that often require transparency and explainability of the decision-making process. However, most state-of-the-art algorithms currently used in the industry are highly parameterized black-box models that rely on complex computations to generate a score. These algorithms are inherently slow and lack the explainability and speed of traditional rule-based learners. This work introduces SR-MCTS (Symbolic Regression MCTS), which utilizes a foundational GPT model to guide the MCTS, significantly enhancing its convergence speed and the quality of the generated expressions which are further extracted to rules. Our experiments show that SR-MCTS can detect fraud more efficiently than widely used methods in the industry while providing substantial insights into the decision-making process.
Authors: Tao Wang, Xinlin Zhang, Yuanbin Chen, Yuanbo Zhou, Longxuan Zhao, Tao Tan, Tong Tong
Abstract: Semi-supervised learning has received considerable attention for its potential to leverage abundant unlabeled data to enhance model robustness. Pseudo labeling is a widely used strategy in semi supervised learning. However, existing methods often suffer from noise contamination, which can undermine model performance. To tackle this challenge, we introduce a novel Synergy-Guided Regional Supervision of Pseudo Labels (SGRS-Net) framework. Built upon the mean teacher network, we employ a Mix Augmentation module to enhance the unlabeled data. By evaluating the synergy before and after augmentation, we strategically partition the pseudo labels into distinct regions. Additionally, we introduce a Region Loss Evaluation module to assess the loss across each delineated area. Extensive experiments conducted on the LA dataset have demonstrated superior performance over state-of-the-art techniques, underscoring the efficiency and practicality of our framework.
Authors: Yunfan Zhang, Zekun Niu, Minghui Shi, Weisheng Hu, Lilin Yi
Abstract: We utilize the Feature Decoupling Distributed (FDD) method to enhance the capability of deep learning to fit the Nonlinear Schrodinger Equation (NLSE), significantly reducing the NLSE loss compared to non decoupling model.
Authors: Haim Fisher, Moni Shahar, Yehezkel S. Resheff
Abstract: Deep learning models for image classification have become standard tools in recent years. A well known vulnerability of these models is their susceptibility to adversarial examples. These are generated by slightly altering an image of a certain class in a way that is imperceptible to humans but causes the model to classify it wrongly as another class. Many algorithms have been proposed to address this problem, falling generally into one of two categories: (i) building robust classifiers (ii) directly detecting attacked images. Despite the good performance of these detectors, we argue that in a white-box setting, where the attacker knows the configuration and weights of the network and the detector, they can overcome the detector by running many examples on a local copy, and sending only those that were not detected to the actual model. This problem is common in security applications where even a very good model is not sufficient to ensure safety. In this paper we propose to overcome this inherent limitation of any static defence with randomization. To do so, one must generate a very large family of detectors with consistent performance, and select one or more of them randomly for each input. For the individual detectors, we suggest the method of neural fingerprints. In the training phase, for each class we repeatedly sample a tiny random subset of neurons from certain layers of the network, and if their average is sufficiently different between clean and attacked images of the focal class they are considered a fingerprint and added to the detector bank. During test time, we sample fingerprints from the bank associated with the label predicted by the model, and detect attacks using a likelihood ratio test. We evaluate our detectors on ImageNet with different attack methods and model architectures, and show near-perfect detection with low rates of false detection.
Authors: Yecheng Jason Ma, Joey Hejna, Ayzaan Wahid, Chuyuan Fu, Dhruv Shah, Jacky Liang, Zhuo Xu, Sean Kirmani, Peng Xu, Danny Driess, Ted Xiao, Jonathan Tompson, Osbert Bastani, Dinesh Jayaraman, Wenhao Yu, Tingnan Zhang, Dorsa Sadigh, Fei Xia
Abstract: Predicting temporal progress from visual trajectories is important for intelligent robots that can learn, adapt, and improve. However, learning such progress estimator, or temporal value function, across different tasks and domains requires both a large amount of diverse data and methods which can scale and generalize. To address these challenges, we present Generative Value Learning (\GVL), a universal value function estimator that leverages the world knowledge embedded in vision-language models (VLMs) to predict task progress. Naively asking a VLM to predict values for a video sequence performs poorly due to the strong temporal correlation between successive frames. Instead, GVL poses value estimation as a temporal ordering problem over shuffled video frames; this seemingly more challenging task encourages VLMs to more fully exploit their underlying semantic and temporal grounding capabilities to differentiate frames based on their perceived task progress, consequently producing significantly better value predictions. Without any robot or task specific training, GVL can in-context zero-shot and few-shot predict effective values for more than 300 distinct real-world tasks across diverse robot platforms, including challenging bimanual manipulation tasks. Furthermore, we demonstrate that GVL permits flexible multi-modal in-context learning via examples from heterogeneous tasks and embodiments, such as human videos. The generality of GVL enables various downstream applications pertinent to visuomotor policy learning, including dataset filtering, success detection, and advantage-weighted regression -- all without any model training or finetuning.
Authors: Borjan Geshkovski, Philippe Rigollet, Dom\`enec Ruiz-Balet
Abstract: Transformers are deep neural network architectures that underpin the recent successes of large language models. Unlike more classical architectures that can be viewed as point-to-point maps, a Transformer acts as a measure-to-measure map implemented as specific interacting particle system on the unit sphere: the input is the empirical measure of tokens in a prompt and its evolution is governed by the continuity equation. In fact, Transformers are not limited to empirical measures and can in principle process any input measure. As the nature of data processed by Transformers is expanding rapidly, it is important to investigate their expressive power as maps from an arbitrary measure to another arbitrary measure. To that end, we provide an explicit choice of parameters that allows a single Transformer to match $N$ arbitrary input measures to $N$ arbitrary target measures, under the minimal assumption that every pair of input-target measures can be matched by some transport map.
Authors: Rohan Kumar Yadav, Bimal Bhattarai, Abhik Jana, Lei Jiao, Seid Muhie Yimam
Abstract: Designing an explainable model becomes crucial now for Natural Language Processing(NLP) since most of the state-of-the-art machine learning models provide a limited explanation for the prediction. In the spectrum of an explainable model, Tsetlin Machine(TM) is promising because of its capability of providing word-level explanation using proposition logic. However, concern rises over the elaborated combination of literals (propositional logic) in the clause that makes the model difficult for humans to comprehend, despite having a transparent learning process. In this paper, we design a post-hoc pruning of clauses that eliminate the randomly placed literals in the clause thereby making the model more efficiently interpretable than the vanilla TM. Experiments on the publicly available YELP-HAT Dataset demonstrate that the proposed pruned TM's attention map aligns more with the human attention map than the vanilla TM's attention map. In addition, the pairwise similarity measure also surpasses the attention map-based neural network models. In terms of accuracy, the proposed pruning method does not degrade the accuracy significantly but rather enhances the performance up to 4% to 9% in some test data.
Authors: Hung Guei, Yan-Ru Ju, Wei-Yu Chen, Ti-Rong Wu
Abstract: MuZero has achieved superhuman performance in various games by using a dynamics network to predict environment dynamics for planning, without relying on simulators. However, the latent states learned by the dynamics network make its planning process opaque. This paper aims to demystify MuZero's model by interpreting the learned latent states. We incorporate observation reconstruction and state consistency into MuZero training and conduct an in-depth analysis to evaluate latent states across two board games: 9x9 Go and Outer-Open Gomoku, and three Atari games: Breakout, Ms. Pacman, and Pong. Our findings reveal that while the dynamics network becomes less accurate over longer simulations, MuZero still performs effectively by using planning to correct errors. Our experiments also show that the dynamics network learns better latent states in board games than in Atari games. These insights contribute to a better understanding of MuZero and offer directions for future research to improve the playing performance, robustness, and interpretability of the MuZero algorithm.
Authors: Aitor Martinez-Seras, Javier Del Ser, Alain Andres, Pablo Garcia-Bringas
Abstract: Robustness is a fundamental aspect for developing safe and trustworthy models, particularly when they are deployed in the open world. In this work we analyze the inherent capability of one-stage object detectors to robustly operate in the presence of out-of-distribution (OoD) data. Specifically, we propose a novel detection algorithm for detecting unknown objects in image data, which leverages the features extracted by the model from each sample. Differently from other recent approaches in the literature, our proposal does not require retraining the object detector, thereby allowing for the use of pretrained models. Our proposed OoD detector exploits the application of supervised dimensionality reduction techniques to mitigate the effects of the curse of dimensionality on the features extracted by the model. Furthermore, it utilizes high-resolution feature maps to identify potential unknown objects in an unsupervised fashion. Our experiments analyze the Pareto trade-off between the performance detecting known and unknown objects resulting from different algorithmic configurations and inference confidence thresholds. We also compare the performance of our proposed algorithm to that of logits-based post-hoc OoD methods, as well as possible fusion strategies. Finally, we discuss on the competitiveness of all tested methods against state-of-the-art OoD approaches for object detection models over the recently published Unknown Object Detection benchmark. The obtained results verify that the performance of avant-garde post-hoc OoD detectors can be further improved when combined with our proposed algorithm.
Authors: Johanna Engman, Karl {\AA}str\"om, Magnus Oskarsson
Abstract: In this paper we present a method for line segment detection in images, based on a semi-supervised framework. Leveraging the use of a consistency loss based on differently augmented and perturbed unlabeled images with a small amount of labeled data, we show comparable results to fully supervised methods. This opens up application scenarios where annotation is difficult or expensive, and for domain specific adaptation of models. We are specifically interested in real-time and online applications, and investigate small and efficient learning backbones. Our method is to our knowledge the first to target line detection using modern state-of-the-art methodologies for semi-supervised learning. We test the method on both standard benchmarks and domain specific scenarios for forestry applications, showing the tractability of the proposed method.
Authors: Andr\'e Ferreira, Gijs Luijten, Behrus Puladi, Jens Kleesiek, Victor Alves, Jan Egger
Abstract: This paper presents the second-placed solution for task 8 and the participation solution for task 7 of BraTS 2024. The adoption of automated brain analysis algorithms to support clinical practice is increasing. However, many of these algorithms struggle with the presence of brain lesions or the absence of certain MRI modalities. The alterations in the brain's morphology leads to high variability and thus poor performance of predictive models that were trained only on healthy brains. The lack of information that is usually provided by some of the missing MRI modalities also reduces the reliability of the prediction models trained with all modalities. In order to improve the performance of these models, we propose the use of conditional 3D wavelet diffusion models. The wavelet transform enabled full-resolution image training and prediction on a GPU with 48 GB VRAM, without patching or downsampling, preserving all information for prediction. For the inpainting task of BraTS 2024, the use of a large and variable number of healthy masks and the stability and efficiency of the 3D wavelet diffusion model resulted in 0.007, 22.61 and 0.842 in the validation set and 0.07 , 22.8 and 0.91 in the testing set (MSE, PSNR and SSIM respectively). The code for these tasks is available at https://github.com/ShadowTwin41/BraTS_2023_2024_solutions.
URLs: https://github.com/ShadowTwin41/BraTS_2023_2024_solutions.
Authors: Andr\'e Ferreira, Tiago Jesus, Behrus Puladi, Jens Kleesiek, Victor Alves, Jan Egger
Abstract: This paper presents the winning solution of task 1 and the third-placed solution of task 3 of the BraTS challenge. The use of automated tools in clinical practice has increased due to the development of more and more sophisticated and reliable algorithms. However, achieving clinical standards and developing tools for real-life scenarios is a major challenge. To this end, BraTS has organised tasks to find the most advanced solutions for specific purposes. In this paper, we propose the use of synthetic data to train state-of-the-art frameworks in order to improve the segmentation of adult gliomas in a post-treatment scenario, and the segmentation of meningioma for radiotherapy planning. Our results suggest that the use of synthetic data leads to more robust algorithms, although the synthetic data generation pipeline is not directly suited to the meningioma task. The code for these tasks is available at https://github.com/ShadowTwin41/BraTS_2023_2024_solutions.
URLs: https://github.com/ShadowTwin41/BraTS_2023_2024_solutions.
Authors: Zijian Zhang, Vinay Setty, Yumeng Wang, Avishek Anand
Abstract: With the rapid advancement of neural language models, the deployment of over-parameterized models has surged, increasing the need for interpretable explanations comprehensible to human inspectors. Existing post-hoc interpretability methods, which often focus on unigram features of single input textual instances, fail to capture the models' decision-making process fully. Additionally, many methods do not differentiate between decisions based on spurious correlations and those based on a holistic understanding of the input. Our paper introduces DISCO, a novel method for discovering global, rule-based explanations by identifying causal n-gram associations with model predictions. This method employs a scalable sequence mining technique to extract relevant text spans from training data, associate them with model predictions, and conduct causality checks to distill robust rules that elucidate model behavior. These rules expose potential overfitting and provide insights into misleading feature combinations. We validate DISCO through extensive testing, demonstrating its superiority over existing methods in offering comprehensive insights into complex model behaviors. Our approach successfully identifies all shortcuts manually introduced into the training data (100% detection rate on the MultiRC dataset), resulting in an 18.8% regression in model performance -- a capability unmatched by any other method. Furthermore, DISCO supports interactive explanations, enabling human inspectors to distinguish spurious causes in the rule-based output. This alleviates the burden of abundant instance-wise explanations and helps assess the model's risk when encountering out-of-distribution (OOD) data.
Authors: Cl\'emence Grislain, Risto Vuorio, Cong Lu, Shimon Whiteson
Abstract: Developing autonomous vehicles that can navigate complex environments with human-level safety and efficiency is a central goal in self-driving research. A common approach to achieving this is imitation learning, where agents are trained to mimic human expert demonstrations collected from real-world driving scenarios. However, discrepancies between human perception and the self-driving car's sensors can introduce an \textit{imitation gap}, leading to imitation learning failures. In this work, we introduce \textbf{IGDrivSim}, a benchmark built on top of the Waymax simulator, designed to investigate the effects of the imitation gap in learning autonomous driving policy from human expert demonstrations. Our experiments show that this perception gap between human experts and self-driving agents can hinder the learning of safe and effective driving behaviors. We further show that combining imitation with reinforcement learning, using a simple penalty reward for prohibited behaviors, effectively mitigates these failures. Our code is open-sourced at: https://github.com/clemgris/IGDrivSim.git.
Authors: Levin Gerdes, Carlos P\'erez del Pulgar, Ra\'ul Castilla Arquillo, Martin Azkarate
Abstract: Proprioceptive sensors on planetary rovers serve for state estimation and for understanding terrain and locomotion performance. While inertial measurement units (IMUs) are widely used to this effect, force-torque sensors are less explored for planetary navigation despite their potential to directly measure interaction forces and provide insights into traction performance. This paper presents an evaluation of the performance and use cases of force-torque sensors based on data collected from a six-wheeled rover during tests over varying terrains, speeds, and slopes. We discuss challenges, such as sensor signal reliability and terrain response accuracy, and identify opportunities regarding the use of these sensors. The data is openly accessible and includes force-torque measurements from each of the six-wheel assemblies as well as IMU data from within the rover chassis. This paper aims to inform the design of future studies and rover upgrades, particularly in sensor integration and control algorithms, to improve navigation capabilities.
Authors: Shivanshu Shekhar, Shreyas Singh, Tong Zhang
Abstract: Direct Preference Optimization (DPO) has been successfully used to align large language models (LLMs) according to human preferences, and more recently it has also been applied to improving the quality of text-to-image diffusion models. However, DPO-based methods such as SPO, Diffusion-DPO, and D3PO are highly susceptible to overfitting and reward hacking, especially when the generative model is optimized to fit out-of-distribution during prolonged training. To overcome these challenges and stabilize the training of diffusion models, we introduce a self-entropy regularization mechanism in reinforcement learning from human feedback. This enhancement improves DPO training by encouraging broader exploration and greater robustness. Our regularization technique effectively mitigates reward hacking, leading to improved stability and enhanced image quality across the latent space. Extensive experiments demonstrate that integrating human feedback with self-entropy regularization can significantly boost image diversity and specificity, achieving state-of-the-art results on key image generation metrics.
Authors: Zachary Schwehr
Abstract: Cancer is the second leading cause of death, with chemotherapy as one of the primary forms of treatment. As a result, researchers are turning to drug combination therapy to decrease drug resistance and increase efficacy. Current methods of drug combination screening, such as in vivo and in vitro, are inefficient due to stark time and monetary costs. In silico methods have become increasingly important for screening drugs, but current methods are inaccurate and generalize poorly to unseen anticancer drugs. In this paper, I employ a geometric deep-learning model utilizing a graph attention network that is equivariant to 3D rotations, translations, and reflections with structural motifs. Additionally, the gene expression of cancer cell lines is utilized to classify synergistic drug combinations specific to each cell line. I compared the proposed geometric deep learning framework to current state-of-the-art (SOTA) methods, and the proposed model architecture achieved greater performance on all 12 benchmark tasks performed on the DrugComb dataset. Specifically, the proposed framework outperformed other SOTA methods by an accuracy difference greater than 28%. Based on these results, I believe that the equivariant graph attention network's capability of learning geometric data accounts for the large performance improvements. The model's ability to generalize to foreign drugs is thought to be due to the structural motifs providing a better representation of the molecule. Overall, I believe that the proposed equivariant geometric deep learning framework serves as an effective tool for virtually screening anticancer drug combinations for further validation in a wet lab environment. The code for this work is made available online at: https://github.com/WeToTheMoon/EGAT_DrugSynergy.
Authors: Mohammad Tabish, Neil K. Chada, Stefan Klus
Abstract: The Koopman operator plays a crucial role in analyzing the global behavior of dynamical systems. Existing data-driven methods for approximating the Koopman operator or discovering the governing equations of the underlying system typically require a fixed set of basis functions, also called dictionary. The optimal choice of basis functions is highly problem-dependent and often requires domain knowledge. We present a novel gradient descent-based optimization framework for learning suitable and interpretable basis functions from data and show how it can be used in combination with EDMD, SINDy, and PDE-FIND. We illustrate the efficacy of the proposed approach with the aid of various benchmark problems such as the Ornstein-Uhlenbeck process, Chua's circuit, a nonlinear heat equation, as well as protein-folding data.
Authors: Zuzanna Osika, Jazmin Zatarain-Salazar, Frans A. Oliehoek, Pradeep K. Murukannaiah
Abstract: Multi-objective reinforcement learning (MORL) is used to solve problems involving multiple objectives. An MORL agent must make decisions based on the diverse signals provided by distinct reward functions. Training an MORL agent yields a set of solutions (policies), each presenting distinct trade-offs among the objectives (expected returns). MORL enhances explainability by enabling fine-grained comparisons of policies in the solution set based on their trade-offs as opposed to having a single policy. However, the solution set is typically large and multi-dimensional, where each policy (e.g., a neural network) is represented by its objective values. We propose an approach for clustering the solution set generated by MORL. By considering both policy behavior and objective values, our clustering method can reveal the relationship between policy behaviors and regions in the objective space. This approach can enable decision makers (DMs) to identify overarching trends and insights in the solution set rather than examining each policy individually. We tested our method in four multi-objective environments and found it outperformed traditional k-medoids clustering. Additionally, we include a case study that demonstrates its real-world application.
Authors: Xuewen Han, Neng Wang, Shangkun Che, Hongyang Yang, Kunpeng Zhang, Sean Xin Xu
Abstract: In recent years, the application of generative artificial intelligence (GenAI) in financial analysis and investment decision-making has gained significant attention. However, most existing approaches rely on single-agent systems, which fail to fully utilize the collaborative potential of multiple AI agents. In this paper, we propose a novel multi-agent collaboration system designed to enhance decision-making in financial investment research. The system incorporates agent groups with both configurable group sizes and collaboration structures to leverage the strengths of each agent group type. By utilizing a sub-optimal combination strategy, the system dynamically adapts to varying market conditions and investment scenarios, optimizing performance across different tasks. We focus on three sub-tasks: fundamentals, market sentiment, and risk analysis, by analyzing the 2023 SEC 10-K forms of 30 companies listed on the Dow Jones Index. Our findings reveal significant performance variations based on the configurations of AI agents for different tasks. The results demonstrate that our multi-agent collaboration system outperforms traditional single-agent models, offering improved accuracy, efficiency, and adaptability in complex financial environments. This study highlights the potential of multi-agent systems in transforming financial analysis and investment decision-making by integrating diverse analytical perspectives.
Authors: Yuxin Zuo, Wenxuan Jiang, Wenxuan Liu, Zixuan Li, Long Bai, Hanbin Wang, Yutao Zeng, Xiaolong Jin, Jiafeng Guo, Xueqi Cheng
Abstract: Empirical evidence suggests that LLMs exhibit spontaneous cross-lingual alignment. Our findings suggest that although LLMs also demonstrate promising cross-lingual alignment in Information Extraction, there remains significant imbalance across languages, revealing an underlying deficiency in the IE alignment. To address this issue, we propose AlignXIE, a powerful code-based LLM that significantly enhances cross-lingual IE alignment through two strategies. Firstly, AlignXIE formulates IE across different languages, especially non-English ones, as code generation tasks, standardizing the representation of various schemas using Python classes to ensure consistency of the same ontology in different languages and align the schema. Secondly, it incorporates an IE cross-lingual alignment phase through a translated instance prediction task proposed in this paper to align the extraction process, utilizing ParallelNER, an IE bilingual parallel dataset with 257,190 samples, generated by our proposed LLM-based automatic pipeline for IE parallel data construction, with manual annotation to ensure quality. Ultimately, we obtain AlignXIE through multilingual IE instruction tuning. Although without training in 9 unseen languages, AlignXIE surpasses ChatGPT by $30.17\%$ and SoTA by $20.03\%$, thereby demonstrating superior cross-lingual IE capabilities. Comprehensive evaluations on 63 IE benchmarks in Chinese and English under various settings, demonstrate that AlignXIE significantly enhances cross-lingual and multilingual IE through boosting the IE alignment.
Authors: Ming Cheng, Jiaying Gong, Chenhan Yuan, William A. Ingram, Edward Fox, Hoda Eldardiry
Abstract: Existing text simplification or paraphrase datasets mainly focus on sentence-level text generation in a general domain. These datasets are typically developed without using domain knowledge. In this paper, we release a novel dataset, VTechAGP, which is the first academic-to-general-audience text paraphrase dataset consisting of 4,938 document-level these and dissertation academic and general-audience abstract pairs from 8 colleges authored over 25 years. We also propose a novel dynamic soft prompt generative language model, DSPT5. For training, we leverage a contrastive-generative loss function to learn the keyword vectors in the dynamic prompt. For inference, we adopt a crowd-sampling decoding strategy at both semantic and structural levels to further select the best output candidate. We evaluate DSPT5 and various state-of-the-art large language models (LLMs) from multiple perspectives. Results demonstrate that the SOTA LLMs does not provide satisfactory outcomes, while the lightweight DSPT5 can achieve competitive results. To the best of our knowledge, we are the first to build a benchmark dataset and solutions for academic-to-general-audience text paraphrase dataset.
Authors: Siyu Chen, Hong Liu, Wenhao Li, Ying Zhu, Guoquan Wang, Jianbing Wu
Abstract: Depth estimation is a crucial technology in robotics. Recently, self-supervised depth estimation methods have demonstrated great potential as they can efficiently leverage large amounts of unlabelled real-world data. However, most existing methods are designed under the assumption of static scenes, which hinders their adaptability in dynamic environments. To address this issue, we present D$^3$epth, a novel method for self-supervised depth estimation in dynamic scenes. It tackles the challenge of dynamic objects from two key perspectives. First, within the self-supervised framework, we design a reprojection constraint to identify regions likely to contain dynamic objects, allowing the construction of a dynamic mask that mitigates their impact at the loss level. Second, for multi-frame depth estimation, we introduce a cost volume auto-masking strategy that leverages adjacent frames to identify regions associated with dynamic objects and generate corresponding masks. This provides guidance for subsequent processes. Furthermore, we propose a spectral entropy uncertainty module that incorporates spectral entropy to guide uncertainty estimation during depth fusion, effectively addressing issues arising from cost volume computation in dynamic environments. Extensive experiments on KITTI and Cityscapes datasets demonstrate that the proposed method consistently outperforms existing self-supervised monocular depth estimation baselines. Code is available at \url{https://github.com/Csyunling/D3epth}.
Authors: Timo Klein, Lukas Miklautz, Kevin Sidak, Claudia Plant, Sebastian Tschiatschek
Abstract: Akin to neuroplasticity in human brains, the plasticity of deep neural networks enables their quick adaption to new data. This makes plasticity particularly crucial for deep Reinforcement Learning (RL) agents: Once plasticity is lost, an agent's performance will inevitably plateau because it cannot improve its policy to account for changes in the data distribution, which are a necessary consequence of its learning process. Thus, developing well-performing and sample-efficient agents hinges on their ability to remain plastic during training. Furthermore, the loss of plasticity can be connected to many other issues plaguing deep RL, such as training instabilities, scaling failures, overestimation bias, and insufficient exploration. With this survey, we aim to provide an overview of the emerging research on plasticity loss for academics and practitioners of deep reinforcement learning. First, we propose a unified definition of plasticity loss based on recent works, relate it to definitions from the literature, and discuss metrics for measuring plasticity loss. Then, we categorize and discuss numerous possible causes of plasticity loss before reviewing currently employed mitigation strategies. Our taxonomy is the first systematic overview of the current state of the field. Lastly, we discuss prevalent issues within the literature, such as a necessity for broader evaluation, and provide recommendations for future research, like gaining a better understanding of an agent's neural activity and behavior.
Authors: Andrea E. V. Ferrari, Prateek Gupta, Nabil Iqbal
Abstract: The notion of duality -- that a given physical system can have two different mathematical descriptions -- is a key idea in modern theoretical physics. Establishing a duality in lattice statistical mechanics models requires the construction of a dual Hamiltonian and a map from the original to the dual observables. By using simple neural networks to parameterize these maps and introducing a loss function that penalises the difference between correlation functions in original and dual models, we formulate the process of duality discovery as an optimization problem. We numerically solve this problem and show that our framework can rediscover the celebrated Kramers-Wannier duality for the 2d Ising model, reconstructing the known mapping of temperatures. We also discuss an alternative approach which uses known features of the mapping of topological lines to reduce the problem to optimizing the couplings in a dual Hamiltonian, and explore next-to-nearest neighbour deformations of the 2d Ising duality. We discuss future directions and prospects for discovering new dualities within this framework.
Authors: Giannis Fikioris, Robert Kleinberg, Yoav Kolumbus, Raunak Kumar, Yishay Mansour, \'Eva Tardos
Abstract: In many repeated auction settings, participants care not only about how frequently they win but also how their winnings are distributed over time. This problem arises in various practical domains where avoiding congested demand is crucial, such as online retail sales and compute services, as well as in advertising campaigns that require sustained visibility over time. We introduce a simple model of this phenomenon, modeling it as a budgeted auction where the value of a win is a concave function of the time since the last win. This implies that for a given number of wins, even spacing over time is optimal. We also extend our model and results to the case when not all wins result in "conversions" (realization of actual gains), and the probability of conversion depends on a context. The goal is to maximize and evenly space conversions rather than just wins. We study the optimal policies for this setting in second-price auctions and offer learning algorithms for the bidders that achieve low regret against the optimal bidding policy in a Bayesian online setting. Our main result is a computationally efficient online learning algorithm that achieves $\tilde O(\sqrt T)$ regret. We achieve this by showing that an infinite-horizon Markov decision process (MDP) with the budget constraint in expectation is essentially equivalent to our problem, even when limiting that MDP to a very small number of states. The algorithm achieves low regret by learning a bidding policy that chooses bids as a function of the context and the system's state, which will be the time elapsed since the last win (or conversion). We show that state-independent strategies incur linear regret even without uncertainty of conversions. We complement this by showing that there are state-independent strategies that, while still having linear regret, achieve a $(1-\frac 1 e)$ approximation to the optimal reward.
Authors: Nicholas Pischke, Thomas Powell
Abstract: We provide abstract, general and highly uniform rates of asymptotic regularity for a generalized stochastic Halpern-style iteration, which incorporates a second mapping in the style of a Krasnoselskii-Mann iteration. This iteration is general in two ways: First, it incorporates stochasticity in a completely abstract way rather than fixing a sampling method; secondly, it includes as special cases stochastic versions of various schemes from the optimization literature, including Halpern's iteration as well as a Krasnoselskii-Mann iteration with Tikhonov regularization terms in the sense of Bo\c{t}, Csetnek and Meier. For these particular cases, we in particular obtain linear rates of asymptotic regularity, matching (or improving) the currently best known rates for these iterations in stochastic optimization, and quadratic rates of asymptotic regularity are obtained in the context of inner product spaces for the general iteration. We utilize these rates to give bounds on the oracle complexity of such iterations under suitable variance assumptions and batching strategies, again presented in an abstract style. Finally, we sketch how the schemes presented here can be instantiated in the context of reinforcement learning to yield novel methods for Q-learning.
Authors: Michele Caprio, David Stutz, Shuo Li, Arnaud Doucet
Abstract: An open question in \emph{Imprecise Probabilistic Machine Learning} is how to empirically derive a credal region (i.e., a closed and convex family of probabilities on the output space) from the available data, without any prior knowledge or assumption. In classification problems, credal regions are a tool that is able to provide provable guarantees under realistic assumptions by characterizing the uncertainty about the distribution of the labels. Building on previous work, we show that credal regions can be directly constructed using conformal methods. This allows us to provide a novel extension of classical conformal prediction to problems with ambiguous ground truth, that is, when the exact labels for given inputs are not exactly known. The resulting construction enjoys desirable practical and theoretical properties: (i) conformal coverage guarantees, (ii) smaller prediction sets (compared to classical conformal prediction regions) and (iii) disentanglement of uncertainty sources (epistemic, aleatoric). We empirically verify our findings on both synthetic and real datasets.
Authors: Satchit Chatterji, Erman Acar
Abstract: An important challenge for enabling the deployment of reinforcement learning (RL) algorithms in the real world is safety. This has resulted in the recent research field of Safe RL, which aims to learn optimal policies that are safe. One successful approach in that direction is probabilistic logic shields (PLS), a model-based Safe RL technique that uses formal specifications based on probabilistic logic programming, constraining an agent's policy to comply with those specifications in a probabilistic sense. However, safety is inherently a multi-agent concept, since real-world environments often involve multiple agents interacting simultaneously, leading to a complex system which is hard to control. Moreover, safe multi-agent RL (Safe MARL) is still underexplored. In order to address this gap, in this paper we ($i$) introduce Shielded MARL (SMARL) by extending PLS to MARL -- in particular, we introduce Probabilistic Logic Temporal Difference Learning (PLTD) to enable shielded independent Q-learning (SIQL), and introduce shielded independent PPO (SIPPO) using probabilistic logic policy gradients; ($ii$) show its positive effect and use as an equilibrium selection mechanism in various game-theoretic environments including two-player simultaneous games, extensive-form games, stochastic games, and some grid-world extensions in terms of safety, cooperation, and alignment with normative behaviors; and ($iii$) look into the asymmetric case where only one agent is shielded, and show that the shielded agent has a significant influence on the unshielded one, providing further evidence of SMARL's ability to enhance safety and cooperation in diverse multi-agent environments.
Authors: Roshni G. Iyer, Yewen Wang, Wei Wang, Yizhou Sun
Abstract: It is largely agreed that social network links are formed due to either homophily or social influence. Inspired by this, we aim at understanding the generation of links via providing a novel embedding-based graph formation model. Different from existing graph representation learning, where link generation probabilities are defined as a simple function of the corresponding node embeddings, we model the link generation as a mixture model of the two factors. In addition, we model the homophily factor in spherical space and the influence factor in hyperbolic space to accommodate the fact that (1) homophily results in cycles and (2) influence results in hierarchies in networks. We also design a special projection to align these two spaces. We call this model Non-Euclidean Mixture Model, i.e., NMM. We further integrate NMM with our non-Euclidean graph variational autoencoder (VAE) framework, NMM-GNN. NMM-GNN learns embeddings through a unified framework which uses non-Euclidean GNN encoders, non-Euclidean Gaussian priors, a non-Euclidean decoder, and a novel space unification loss component to unify distinct non-Euclidean geometric spaces. Experiments on public datasets show NMM-GNN significantly outperforms state-of-the-art baselines on social network generation and classification tasks, demonstrating its ability to better explain how the social network is formed.
Authors: Cyrille Kone, Marc Jourdan, Emilie Kaufmann
Abstract: The problem of identifying the best answer among a collection of items having real-valued distribution is well-understood. Despite its practical relevance for many applications, fewer works have studied its extension when multiple and potentially conflicting metrics are available to assess an item's quality. Pareto set identification (PSI) aims to identify the set of answers whose means are not uniformly worse than another. This paper studies PSI in the transductive linear setting with potentially correlated objectives. Building on posterior sampling in both the stopping and the sampling rules, we propose the PSIPS algorithm that deals simultaneously with structure and correlation without paying the computational cost of existing oracle-based algorithms. Both from a frequentist and Bayesian perspective, PSIPS is asymptotically optimal. We demonstrate its good empirical performance in real-world and synthetic instances.
Authors: Amir M. Vahedi, Horea T. Ilies
Abstract: Optimization algorithms are pivotal in advancing various scientific and industrial fields but often encounter obstacles such as trapping in local minima, saddle points, and plateaus (flat regions), which makes the convergence to reasonable or near-optimal solutions particularly challenging. This paper presents the Steepest Perturbed Gradient Descent (SPGD), a novel algorithm that innovatively combines the principles of the gradient descent method with periodic uniform perturbation sampling to effectively circumvent these impediments and lead to better solutions whenever possible. SPGD is distinctively designed to generate a set of candidate solutions and select the one exhibiting the steepest loss difference relative to the current solution. It enhances the traditional gradient descent approach by integrating a strategic exploration mechanism that significantly increases the likelihood of escaping sub-optimal local minima and navigating complex optimization landscapes effectively. Our approach not only retains the directed efficiency of gradient descent but also leverages the exploratory benefits of stochastic perturbations, thus enabling a more comprehensive search for global optima across diverse problem spaces. We demonstrate the efficacy of SPGD in solving the 3D component packing problem, an NP-hard challenge. Preliminary results show a substantial improvement over four established methods, particularly on response surfaces with complex topographies and in multidimensional non-convex continuous optimization problems. Comparative analyses with established 2D benchmark functions highlight SPGD's superior performance, showcasing its ability to navigate complex optimization landscapes. These results emphasize SPGD's potential as a versatile tool for a wide range of optimization problems.
Authors: Hongyu Wang, Shuming Ma, Furu Wei
Abstract: Recent research on the 1-bit Large Language Models (LLMs), such as BitNet b1.58, presents a promising direction for reducing the inference cost of LLMs while maintaining their performance. In this work, we introduce BitNet a4.8, enabling 4-bit activations for 1-bit LLMs. BitNet a4.8 employs a hybrid quantization and sparsification strategy to mitigate the quantization errors introduced by the outlier channels. Specifically, we utilize 4-bit activations for inputs to the attention and feed-forward network layers, while sparsifying intermediate states followed with 8-bit quantization. Extensive experiments demonstrate that BitNet a4.8 achieves performance comparable to BitNet b1.58 with equivalent training costs, while being faster in inference with enabling 4-bit (INT4/FP4) kernels. Additionally, BitNet a4.8 activates only 55% of parameters and supports 3-bit KV cache, further enhancing the efficiency of large-scale LLM deployment and inference.
Authors: Anil Kag, Huseyin Coskun, Jierun Chen, Junli Cao, Willi Menapace, Aliaksandr Siarohin, Sergey Tulyakov, Jian Ren
Abstract: Neural network architecture design requires making many crucial decisions. The common desiderata is that similar decisions, with little modifications, can be reused in a variety of tasks and applications. To satisfy that, architectures must provide promising latency and performance trade-offs, support a variety of tasks, scale efficiently with respect to the amounts of data and compute, leverage available data from other tasks, and efficiently support various hardware. To this end, we introduce AsCAN -- a hybrid architecture, combining both convolutional and transformer blocks. We revisit the key design principles of hybrid architectures and propose a simple and effective \emph{asymmetric} architecture, where the distribution of convolutional and transformer blocks is \emph{asymmetric}, containing more convolutional blocks in the earlier stages, followed by more transformer blocks in later stages. AsCAN supports a variety of tasks: recognition, segmentation, class-conditional image generation, and features a superior trade-off between performance and latency. We then scale the same architecture to solve a large-scale text-to-image task and show state-of-the-art performance compared to the most recent public and commercial models. Notably, even without any computation optimization for transformer blocks, our models still yield faster inference speed than existing works featuring efficient attention mechanisms, highlighting the advantages and the value of our approach.
Authors: Gabriele Oliaro, Zhihao Jia, Daniel Campos, Aurick Qiao
Abstract: We present SuffixDecoding, a novel model-free approach to accelerating large language model (LLM) inference through speculative decoding. Unlike existing methods that rely on draft models or specialized decoding heads, SuffixDecoding leverages suffix trees built from previously generated outputs to efficiently predict candidate token sequences. Our approach enables flexible tree-structured speculation without the overhead of maintaining and orchestrating additional models. SuffixDecoding builds and dynamically updates suffix trees to capture patterns in the generated text, using them to construct speculation trees through a principled scoring mechanism based on empirical token frequencies. SuffixDecoding requires only CPU memory which is plentiful and underutilized on typical LLM serving nodes. We demonstrate that SuffixDecoding achieves competitive speedups compared to model-based approaches across diverse workloads including open-domain chat, code generation, and text-to-SQL tasks. For open-ended chat and code generation tasks, SuffixDecoding achieves up to $1.4\times$ higher output throughput than SpecInfer and up to $1.1\times$ lower time-per-token (TPOT) latency. For a proprietary multi-LLM text-to-SQL application, SuffixDecoding achieves up to $2.9\times$ higher output throughput and $3\times$ lower latency than speculative decoding. Our evaluation shows that SuffixDecoding maintains high acceptance rates even with small reference corpora of 256 examples, while continuing to improve performance as more historical outputs are incorporated.
Authors: Aviv Netanyahu, Yilun Du, Antonia Bronars, Jyothish Pari, Joshua Tenenbaum, Tianmin Shu, Pulkit Agrawal
Abstract: Learning the intents of an agent, defined by its goals or motion style, is often extremely challenging from just a few examples. We refer to this problem as task concept learning and present our approach, Few-Shot Task Learning through Inverse Generative Modeling (FTL-IGM), which learns new task concepts by leveraging invertible neural generative models. The core idea is to pretrain a generative model on a set of basic concepts and their demonstrations. Then, given a few demonstrations of a new concept (such as a new goal or a new action), our method learns the underlying concepts through backpropagation without updating the model weights, thanks to the invertibility of the generative model. We evaluate our method in five domains -- object rearrangement, goal-oriented navigation, motion caption of human actions, autonomous driving, and real-world table-top manipulation. Our experimental results demonstrate that via the pretrained generative model, we successfully learn novel concepts and generate agent plans or motion corresponding to these concepts in (1) unseen environments and (2) in composition with training concepts.
Authors: Koichi Namekata, Sherwin Bahmani, Ziyi Wu, Yash Kant, Igor Gilitschenski, David B. Lindell
Abstract: Methods for image-to-video generation have achieved impressive, photo-realistic quality. However, adjusting specific elements in generated videos, such as object motion or camera movement, is often a tedious process of trial and error, e.g., involving re-generating videos with different random seeds. Recent techniques address this issue by fine-tuning a pre-trained model to follow conditioning signals, such as bounding boxes or point trajectories. Yet, this fine-tuning procedure can be computationally expensive, and it requires datasets with annotated object motion, which can be difficult to procure. In this work, we introduce SG-I2V, a framework for controllable image-to-video generation that is self-guided$\unicode{x2013}$offering zero-shot control by relying solely on the knowledge present in a pre-trained image-to-video diffusion model without the need for fine-tuning or external knowledge. Our zero-shot method outperforms unsupervised baselines while being competitive with supervised models in terms of visual quality and motion fidelity.
Authors: AmirEhsan Khorashadizadeh, Tob\'ias I. Liaudat, Tianlin Liu, Jason D. McEwen, Ivan Dokmani\'c
Abstract: Neural fields or implicit neural representations (INRs) have attracted significant attention in machine learning and signal processing due to their efficient continuous representation of images and 3D volumes. In this work, we build on INRs and introduce a coordinate-based local processing framework for solving imaging inverse problems, termed LoFi (Local Field). Unlike conventional methods for image reconstruction, LoFi processes local information at each coordinate \textit{separately} by multi-layer perceptrons (MLPs), recovering the object at that specific coordinate. Similar to INRs, LoFi can recover images at any continuous coordinate, enabling image reconstruction at multiple resolutions. With comparable or better performance than standard CNNs for image reconstruction, LoFi achieves excellent generalization to out-of-distribution data and memory usage almost independent of image resolution. Remarkably, training on $1024 \times 1024$ images requires just 3GB of memory -- over 20 times less than the memory typically needed by standard CNNs. Additionally, LoFi's local design allows it to train on extremely small datasets with less than 10 samples, without overfitting or the need for regularization or early stopping. Finally, we use LoFi as a denoising prior in a plug-and-play framework for solving general inverse problems to benefit from its continuous image representation and strong generalization. Although trained on low-resolution images, LoFi can be used as a low-dimensional prior to solve inverse problems at any resolution. We validate our framework across a variety of imaging modalities, from low-dose computed tomography to radio interferometric imaging.
Authors: Keshigeyan Chandrasegaran, Agrim Gupta, Lea M. Hadzic, Taran Kota, Jimming He, Crist\'obal Eyzaguirre, Zane Durante, Manling Li, Jiajun Wu, Li Fei-Fei
Abstract: We present HourVideo, a benchmark dataset for hour-long video-language understanding. Our dataset consists of a novel task suite comprising summarization, perception (recall, tracking), visual reasoning (spatial, temporal, predictive, causal, counterfactual), and navigation (room-to-room, object retrieval) tasks. HourVideo includes 500 manually curated egocentric videos from the Ego4D dataset, spanning durations of 20 to 120 minutes, and features 12,976 high-quality, five-way multiple-choice questions. Benchmarking results reveal that multimodal models, including GPT-4 and LLaVA-NeXT, achieve marginal improvements over random chance. In stark contrast, human experts significantly outperform the state-of-the-art long-context multimodal model, Gemini Pro 1.5 (85.0% vs. 37.3%), highlighting a substantial gap in multimodal capabilities. Our benchmark, evaluation toolkit, prompts, and documentation are available at https://hourvideo.stanford.edu
Authors: Peiqi Liu, Zhanqiu Guo, Mohit Warke, Soumith Chintala, Chris Paxton, Nur Muhammad Mahi Shafiullah, Lerrel Pinto
Abstract: Significant progress has been made in open-vocabulary mobile manipulation, where the goal is for a robot to perform tasks in any environment given a natural language description. However, most current systems assume a static environment, which limits the system's applicability in real-world scenarios where environments frequently change due to human intervention or the robot's own actions. In this work, we present DynaMem, a new approach to open-world mobile manipulation that uses a dynamic spatio-semantic memory to represent a robot's environment. DynaMem constructs a 3D data structure to maintain a dynamic memory of point clouds, and answers open-vocabulary object localization queries using multimodal LLMs or open-vocabulary features generated by state-of-the-art vision-language models. Powered by DynaMem, our robots can explore novel environments, search for objects not found in memory, and continuously update the memory as objects move, appear, or disappear in the scene. We run extensive experiments on the Stretch SE3 robots in three real and nine offline scenes, and achieve an average pick-and-drop success rate of 70% on non-stationary objects, which is more than a 2x improvement over state-of-the-art static systems. Our code as well as our experiment and deployment videos are open sourced and can be found on our project website: https://dynamem.github.io/
Authors: David M. Chan, Rodolfo Corona, Joonyong Park, Cheol Jun Cho, Yutong Bai, Trevor Darrell
Abstract: With the introduction of transformer-based models for vision and language tasks, such as LLaVA and Chameleon, there has been renewed interest in the discrete tokenized representation of images. These models often treat image patches as discrete tokens, analogous to words in natural language, learning joint alignments between visual and human languages. However, little is known about the statistical behavior of these visual languages - whether they follow similar frequency distributions, grammatical structures, or topologies as natural languages. In this paper, we take a natural-language-centric approach to analyzing discrete visual languages and uncover striking similarities and fundamental differences. We demonstrate that, although visual languages adhere to Zipfian distributions, higher token innovation drives greater entropy and lower compression, with tokens predominantly representing object parts, indicating intermediate granularity. We also show that visual languages lack cohesive grammatical structures, leading to higher perplexity and weaker hierarchical organization compared to natural languages. Finally, we demonstrate that, while vision models align more closely with natural languages than other models, this alignment remains significantly weaker than the cohesion found within natural languages. Through these experiments, we demonstrate how understanding the statistical properties of discrete visual languages can inform the design of more effective computer vision models.
Authors: David Junhao Zhang, Roni Paiss, Shiran Zada, Nikhil Karnad, David E. Jacobs, Yael Pritch, Inbar Mosseri, Mike Zheng Shou, Neal Wadhwa, Nataniel Ruiz
Abstract: Recently, breakthroughs in video modeling have allowed for controllable camera trajectories in generated videos. However, these methods cannot be directly applied to user-provided videos that are not generated by a video model. In this paper, we present ReCapture, a method for generating new videos with novel camera trajectories from a single user-provided video. Our method allows us to re-generate the reference video, with all its existing scene motion, from vastly different angles and with cinematic camera motion. Notably, using our method we can also plausibly hallucinate parts of the scene that were not observable in the reference video. Our method works by (1) generating a noisy anchor video with a new camera trajectory using multiview diffusion models or depth-based point cloud rendering and then (2) regenerating the anchor video into a clean and temporally consistent reangled video using our proposed masked video fine-tuning technique.
Authors: Shuhong Zheng, Zhipeng Bao, Ruoyu Zhao, Martial Hebert, Yu-Xiong Wang
Abstract: Beyond high-fidelity image synthesis, diffusion models have recently exhibited promising results in dense visual perception tasks. However, most existing work treats diffusion models as a standalone component for perception tasks, employing them either solely for off-the-shelf data augmentation or as mere feature extractors. In contrast to these isolated and thus sub-optimal efforts, we introduce a unified, versatile, diffusion-based framework, Diff-2-in-1, that can simultaneously handle both multi-modal data generation and dense visual perception, through a unique exploitation of the diffusion-denoising process. Within this framework, we further enhance discriminative visual perception via multi-modal generation, by utilizing the denoising network to create multi-modal data that mirror the distribution of the original training set. Importantly, Diff-2-in-1 optimizes the utilization of the created diverse and faithful data by leveraging a novel self-improving learning mechanism. Comprehensive experimental evaluations validate the effectiveness of our framework, showcasing consistent performance improvements across various discriminative backbones and high-quality multi-modal data generation characterized by both realism and usefulness.
Authors: Muyang Li, Yujun Lin, Zhekai Zhang, Tianle Cai, Xiuyu Li, Junxian Guo, Enze Xie, Chenlin Meng, Jun-Yan Zhu, Song Han
Abstract: Diffusion models have been proven highly effective at generating high-quality images. However, as these models grow larger, they require significantly more memory and suffer from higher latency, posing substantial challenges for deployment. In this work, we aim to accelerate diffusion models by quantizing their weights and activations to 4 bits. At such an aggressive level, both weights and activations are highly sensitive, where conventional post-training quantization methods for large language models like smoothing become insufficient. To overcome this limitation, we propose SVDQuant, a new 4-bit quantization paradigm. Different from smoothing which redistributes outliers between weights and activations, our approach absorbs these outliers using a low-rank branch. We first consolidate the outliers by shifting them from activations to weights, then employ a high-precision low-rank branch to take in the weight outliers with Singular Value Decomposition (SVD). This process eases the quantization on both sides. However, na\"{\i}vely running the low-rank branch independently incurs significant overhead due to extra data movement of activations, negating the quantization speedup. To address this, we co-design an inference engine Nunchaku that fuses the kernels of the low-rank branch into those of the low-bit branch to cut off redundant memory access. It can also seamlessly support off-the-shelf low-rank adapters (LoRAs) without the need for re-quantization. Extensive experiments on SDXL, PixArt-$\Sigma$, and FLUX.1 validate the effectiveness of SVDQuant in preserving image quality. We reduce the memory usage for the 12B FLUX.1 models by 3.5$\times$, achieving 3.0$\times$ speedup over the 4-bit weight-only quantized baseline on the 16GB laptop 4090 GPU, paving the way for more interactive applications on PCs. Our quantization library and inference engine are open-sourced.
Authors: Cristian Munoz, Kleyton da Costa, Bernardo Modenesi, Adriano Koshiyama
Abstract: The rapid integration of artificial intelligence (AI) into various industries has introduced new challenges in governance and regulation, particularly regarding the understanding of complex AI systems. A critical demand from decision-makers is the ability to explain the results of machine learning models, which is essential for fostering trust and ensuring ethical AI practices. In this paper, we develop six distinct model-agnostic metrics designed to quantify the extent to which model predictions can be explained. These metrics measure different aspects of model explainability, ranging from local importance, global importance, and surrogate predictions, allowing for a comprehensive evaluation of how models generate their outputs. Furthermore, by computing our metrics, we can rank models in terms of explainability criteria such as importance concentration and consistency, prediction fluctuation, and surrogate fidelity and stability, offering a valuable tool for selecting models based not only on accuracy but also on transparency. We demonstrate the practical utility of these metrics on classification and regression tasks, and integrate these metrics into an existing Python package for public use.
Authors: Zirui Liu, Guanchu Wang, Shaochen Zhong, Zhaozhuo Xu, Daochen Zha, Ruixiang Tang, Zhimeng Jiang, Kaixiong Zhou, Vipin Chaudhary, Shuai Xu, Xia Hu
Abstract: With the rapid growth in model size, fine-tuning the large pre-trained language model has become increasingly difficult due to its extensive memory usage. Previous works usually focus on reducing the number of trainable parameters in the network. While the model parameters do contribute to memory usage, the primary memory bottleneck during training arises from storing feature maps, also known as activations, as they are crucial for gradient calculation. Notably, neural networks are usually trained using stochastic gradient descent. We argue that in stochastic optimization, models can handle noisy gradients as long as the gradient estimator is unbiased with reasonable variance. Following this motivation, we propose a new family of unbiased estimators called WTA-CRS, for matrix production with reduced variance, which only requires storing the sub-sampled activations for calculating the gradient. Our work provides both theoretical and experimental evidence that, in the context of tuning transformers, our proposed estimators exhibit lower variance compared to existing ones. By replacing the linear operation with our approximated one in transformers, we can achieve up to 2.7$\times$ peak memory reduction with almost no accuracy drop and enables up to $6.4\times$ larger batch size. Under the same hardware, WTA-CRS enables better down-streaming task performance by applying larger models and/or faster training speed with larger batch sizes.
Authors: Can Demircan, Tankred Saanum, Leonardo Pettini, Marcel Binz, Blazej M Baczkowski, Christian F Doeller, Mona M Garvert, Eric Schulz
Abstract: Humans represent scenes and objects in rich feature spaces, carrying information that allows us to generalise about category memberships and abstract functions with few examples. What determines whether a neural network model generalises like a human? We tested how well the representations of $86$ pretrained neural network models mapped to human learning trajectories across two tasks where humans had to learn continuous relationships and categories of natural images. In these tasks, both human participants and neural networks successfully identified the relevant stimulus features within a few trials, demonstrating effective generalisation. We found that while training dataset size was a core determinant of alignment with human choices, contrastive training with multi-modal data (text and imagery) was a common feature of currently publicly available models that predicted human generalisation. Intrinsic dimensionality of representations had different effects on alignment for different model types. Lastly, we tested three sets of human-aligned representations and found no consistent improvements in predictive accuracy compared to the baselines. In conclusion, pretrained neural networks can serve to extract representations for cognitive models, as they appear to capture some fundamental aspects of cognition that are transferable across tasks. Both our paradigms and modelling approach offer a novel way to quantify alignment between neural networks and humans and extend cognitive science into more naturalistic domains.
Authors: Wenwei Gu, Jinyang Liu, Zhuangbin Chen, Jianping Zhang, Yuxin Su, Jiazhen Gu, Cong Feng, Zengyin Yang, Yongqiang Yang, Michael Lyu
Abstract: Cloud systems are susceptible to performance issues, which may cause service-level agreement violations and financial losses. In current practice, crucial metrics are monitored periodically to provide insight into the operational status of components. Identifying performance issues is often formulated as an anomaly detection problem, which is tackled by analyzing each metric independently. However, this approach overlooks the complex dependencies existing among cloud components. Some graph neural network-based methods take both temporal and relational information into account, however, the correlation violations in the metrics that serve as indicators of underlying performance issues are difficult for them to identify. Furthermore, a large volume of components in a cloud system results in a vast array of noisy metrics. This complexity renders it impractical for engineers to fully comprehend the correlations, making it challenging to identify performance issues accurately. To address these limitations, we propose Identifying Performance Issues based on Relational-Temporal Features (ISOLATE ), a learning-based approach that leverages both the relational and temporal features of metrics to identify performance issues. In particular, it adopts a graph neural network with attention to characterizing the relations among metrics and extracts long-term and multi-scale temporal patterns using a GRU and a convolution network, respectively. The learned graph attention weights can be further used to localize the correlation-violated metrics. Moreover, to relieve the impact of noisy data, ISOLATE utilizes a positive unlabeled learning strategy that tags pseudo-labels based on a small portion of confirmed negative examples. Extensive evaluation on both public and industrial datasets shows that ISOLATE outperforms all baseline models with 0.945 F1-score and 0.920 Hit rate@3.
Authors: Jonathan Crabb\'e, Pau Rodr\'iguez, Vaishaal Shankar, Luca Zappella, Arno Blaas
Abstract: What distinguishes robust models from non-robust ones? While for ImageNet distribution shifts it has been shown that such differences in robustness can be traced back predominantly to differences in training data, so far it is not known what that translates to in terms of what the model has learned. In this work, we bridge this gap by probing the representation spaces of 16 robust zero-shot CLIP vision encoders with various backbones (ResNets and ViTs) and pretraining sets (OpenAI, LAION-400M, LAION-2B, YFCC15M, CC12M and {DataComp}), and comparing them to the representation spaces of less robust models with identical backbones, but different (pre)training sets or objectives (CLIP pretraining on ImageNet-Captions, and supervised training or finetuning on ImageNet).Through this analysis, we generate three novel insights. Firstly, we detect the presence of outlier features in robust zero-shot CLIP vision encoders, which to the best of our knowledge is the first time these are observed in non-language and non-transformer models. Secondly, we find the existence of outlier features to be an indication of ImageNet shift robustness in models, since we only find them in robust models in our analysis. Lastly, we also investigate the number of unique encoded concepts in the representation space and find zero-shot CLIP models to encode a higher number of unique concepts in their representation space. However, we do not find this to be an indicator of ImageNet shift robustness and hypothesize that it is rather related to the language supervision. Since the presence of outlier features can be detected without access to any data from shifted datasets, we believe that they could be a useful tool for practitioners to get a feeling for the distribution shift robustness of a pretrained model during deployment.
Authors: Oliver Urs Lenz, Henri Bollaert, Chris Cornelis
Abstract: We present the first comprehensive and large-scale evaluation of classical (NN), fuzzy (FNN) and fuzzy rough (FRNN) nearest neighbour classification. We standardise existing proposals for nearest neighbour weighting with kernel functions, applied to the distance values and/or ranks of the nearest neighbours of a test instance. In particular, we show that the theoretically optimal Samworth weights converge to a kernel. Kernel functions are closely related to fuzzy negation operators, and we propose a new kernel based on Yager negation. We also consider various distance and scaling measures, which we show can be related to each other. Through a systematic series of experiments on 85 real-life classification datasets, we find that NN, FNN and FRNN all perform best with Boscovich distance, and that NN and FRNN perform best with a combination of Samworth rank- and distance-weights and scaling by the mean absolute deviation around the median ($r_1$), the standard deviation ($r_2$) or the semi-interquartile range ($r_{\infty}^*$), while FNN performs best with only Samworth distance-weights and $r_1$- or $r_2$-scaling. However, NN achieves comparable performance with Yager-$\frac{1}{2}$ distance-weights, which are simpler to implement than a combination of Samworth distance- and rank-weights. Finally, FRNN generally outperforms NN, which in turn performs systematically better than FNN.
Authors: B\'alint M\'at\'e, Fran\c{c}ois Fleuret
Abstract: We consider the problem of sampling lattice field configurations on a lattice from the Boltzmann distribution corresponding to some action. Since such densities arise as approximationw of an underlying functional density, we frame the task as an instance of operator learning. We propose to approximate a time-dependent neural operator whose time integral provides a mapping between the functional distributions of the free and target theories. Once a particular lattice is chosen, the neural operator can be discretized to a finite-dimensional, time-dependent vector field which in turn induces a continuous normalizing flow between finite dimensional distributions over the chosen lattice. This flow can then be trained to be a diffeormorphism between the discretized free and target theories on the chosen lattice, and, by construction, can be evaluated on different discretizations of spacetime. We experimentally validate the proposal on the 2-dimensional $\phi^4$-theory to explore to what extent such operator-based flow architectures generalize to lattice sizes they were not trained on, and show that pretraining on smaller lattices can lead to a speedup over training directly on the target lattice size.
Authors: Sk Miraj Ahmed, Fahim Faisal Niloy, Xiangyu Chang, Dripta S. Raychaudhuri, Samet Oymak, Amit K. Roy-Chowdhury
Abstract: Adapting to dynamic data distributions is a practical yet challenging task. One effective strategy is to use a model ensemble, which leverages the diverse expertise of different models to transfer knowledge to evolving data distributions. However, this approach faces difficulties when the dynamic test distribution is available only in small batches and without access to the original source data. To address the challenge of adapting to dynamic distributions in such practical settings, we propose Continual Multi-source Adaptation to Dynamic Distributions (CONTRAST), a novel method that optimally combines multiple source models to adapt to the dynamic test data. CONTRAST has two distinguishing features. First, it efficiently computes the optimal combination weights to combine the source models to adapt to the test data distribution continuously as a function of time. Second, it identifies which of the source model parameters to update so that only the model which is most correlated to the target data is adapted, leaving the less correlated ones untouched; this mitigates the issue of ``forgetting" the source model parameters by focusing only on the source model that exhibits the strongest correlation with the test batch distribution. Through theoretical analysis we show that the proposed method is able to optimally combine the source models and prioritize updates to the model least prone to forgetting. Experimental analysis on diverse datasets demonstrates that the combination of multiple source models does at least as well as the best source (with hindsight knowledge), and performance does not degrade as the test data distribution changes over time (robust to forgetting).
Authors: Siddharth Krishna Kumar
Abstract: This paper critically examines the fundamental distinctions between gradient methods applied to non-differentiable functions (NGDMs) and classical gradient descents (GDs) for differentiable functions, revealing significant gaps in current deep learning optimization theory. We demonstrate that NGDMs exhibit markedly different convergence properties compared to GDs, strongly challenging the applicability of extensive neural network convergence literature based on $L-smoothness$ to non-smooth neural networks. Our analysis reveals paradoxical behavior of NDGM solutions for $L_{1}$-regularized problems, where increasing regularization counterintuitively leads to larger $L_{1}$ norms of optimal solutions. This finding calls into question widely adopted $L_{1}$ penalization techniques for network pruning. We further challenge the common assumption that optimization algorithms like RMSProp behave similarly in differentiable and non-differentiable contexts. Expanding on the Edge of Stability phenomenon, we demonstrate its occurrence in a broader class of functions, including Lipschitz continuous convex differentiable functions. This finding raises important questions about its relevance and interpretation in non-convex, non-differentiable neural networks, particularly those using ReLU activations. Our work identifies critical misunderstandings of NDGMs in influential literature, stemming from an overreliance on strong smoothness assumptions. These findings necessitate a reevaluation of optimization dynamics in deep learning, emphasizing the crucial need for more nuanced theoretical foundations in analyzing these complex systems.
Authors: Matthew A. Chan, Maria J. Molina, Christopher A. Metzler
Abstract: Estimating and disentangling epistemic uncertainty, uncertainty that is reducible with more training data, and aleatoric uncertainty, uncertainty that is inherent to the task at hand, is critically important when applying machine learning to high-stakes applications such as medical imaging and weather forecasting. Conditional diffusion models' breakthrough ability to accurately and efficiently sample from the posterior distribution of a dataset now makes uncertainty estimation conceptually straightforward: One need only train and sample from a large ensemble of diffusion models. Unfortunately, training such an ensemble becomes computationally intractable as the complexity of the model architecture grows. In this work we introduce a new approach to ensembling, hyper-diffusion models (HyperDM), which allows one to accurately estimate both epistemic and aleatoric uncertainty with a single model. Unlike existing single-model uncertainty methods like Monte-Carlo dropout and Bayesian neural networks, HyperDM offers prediction accuracy on par with, and in some cases superior to, multi-model ensembles. Furthermore, our proposed approach scales to modern network architectures such as Attention U-Net and yields more accurate uncertainty estimates compared to existing methods. We validate our method on two distinct real-world tasks: x-ray computed tomography reconstruction and weather temperature forecasting.
Authors: Liu Ziyin, Mingze Wang, Hongchao Li, Lei Wu
Abstract: Symmetries are prevalent in deep learning and can significantly influence the learning dynamics of neural networks. In this paper, we examine how exponential symmetries -- a broad subclass of continuous symmetries present in the model architecture or loss function -- interplay with stochastic gradient descent (SGD). We first prove that gradient noise creates a systematic motion (a ``Noether flow") of the parameters $\theta$ along the degenerate direction to a unique initialization-independent fixed point $\theta^*$. These points are referred to as the {\it noise equilibria} because, at these points, noise contributions from different directions are balanced and aligned. Then, we show that the balance and alignment of gradient noise can serve as a novel alternative mechanism for explaining important phenomena such as progressive sharpening/flattening and representation formation within neural networks and have practical implications for understanding techniques like representation normalization and warmup.
Authors: Itay Safran, Daniel Reichman, Paul Valiant
Abstract: We prove an exponential size separation between depth 2 and depth 3 neural networks (with real inputs), when approximating a $\mathcal{O}(1)$-Lipschitz target function to constant accuracy, with respect to a distribution with support in the unit ball, under the mild assumption that the weights of the depth 2 network are exponentially bounded. This resolves an open problem posed in \citet{safran2019depth}, and proves that the curse of dimensionality manifests itself in depth 2 approximation, even in cases where the target function can be represented efficiently using a depth 3 network. Previously, lower bounds that were used to separate depth 2 from depth 3 networks required that at least one of the Lipschitz constant, target accuracy or (some measure of) the size of the domain of approximation scale \emph{polynomially} with the input dimension, whereas in our result these parameters are fixed to be \emph{constants} independent of the input dimension: our parameters are simultaneously optimal. Our lower bound holds for a wide variety of activation functions, and is based on a novel application of a worst- to average-case random self-reducibility argument, allowing us to leverage depth 2 threshold circuits lower bounds in a new domain.
Authors: Yuxiao Wen, Yanjun Han, Zhengyuan Zhou
Abstract: We consider contextual bandits with graph feedback, a class of interactive learning problems with richer structures than vanilla contextual bandits, where taking an action reveals the rewards for all neighboring actions in the feedback graph under all contexts. Unlike the multi-armed bandits setting where a growing literature has painted a near-complete understanding of graph feedback, much remains unexplored in the contextual bandits counterpart. In this paper, we make inroads into this inquiry by establishing a regret lower bound $\Omega(\sqrt{\beta_M(G) T})$, where $M$ is the number of contexts, $G$ is the feedback graph, and $\beta_M(G)$ is our proposed graph-theoretic quantity that characterizes the fundamental learning limit for this class of problems. Interestingly, $\beta_M(G)$ interpolates between $\alpha(G)$ (the independence number of the graph) and $\mathsf{m}(G)$ (the maximum acyclic subgraph (MAS) number of the graph) as the number of contexts $M$ varies. We also provide algorithms that achieve near-optimal regret for important classes of context sequences and/or feedback graphs, such as transitively closed graphs that find applications in auctions and inventory control. In particular, with many contexts, our results show that the MAS number essentially characterizes the statistical complexity for contextual bandits, as opposed to the independence number in multi-armed bandits.
Authors: Raffaele Paolino, Sohir Maskey, Pascal Welke, Gitta Kutyniok
Abstract: We introduce $r$-loopy Weisfeiler-Leman ($r$-$\ell{}$WL), a novel hierarchy of graph isomorphism tests and a corresponding GNN framework, $r$-$\ell{}$MPNN, that can count cycles up to length $r + 2$. Most notably, we show that $r$-$\ell{}$WL can count homomorphisms of cactus graphs. This strictly extends classical 1-WL, which can only count homomorphisms of trees and, in fact, is incomparable to $k$-WL for any fixed $k$. We empirically validate the expressive and counting power of the proposed $r$-$\ell{}$MPNN on several synthetic datasets and present state-of-the-art predictive performance on various real-world datasets. The code is available at https://github.com/RPaolino/loopy
Authors: Yi Shen, Hanyan Huang
Abstract: Offline reinforcement learning learns from a static dataset without interacting with environments, which ensures security and thus owns a good application prospect. However, directly applying naive reinforcement learning algorithm usually fails in an offline environment due to inaccurate Q value approximation caused by out-of-distribution (OOD) state-actions. It is an effective way to solve this problem by penalizing the Q-value of OOD state-actions. Among the methods of punishing OOD state-actions, count-based methods have achieved good results in discrete domains in a simple form. Inspired by it, a novel pseudo-count method for continuous domains called Grid-Mapping Pseudo-Count method (GPC) is proposed by extending the count-based method from discrete to continuous domains. Firstly, the continuous state and action space are mapped to discrete space using Grid-Mapping, then the Q-values of OOD state-actions are constrained through pseudo-count. Secondly, the theoretical proof is given to show that GPC can obtain appropriate uncertainty constraints under fewer assumptions than other pseudo-count methods. Thirdly, GPC is combined with Soft Actor-Critic algorithm (SAC) to get a new algorithm called GPC-SAC. Lastly, experiments on D4RL datasets are given to show that GPC-SAC has better performance and less computational cost than other algorithms that constrain the Q-value.
Authors: Fabiana Ferracina, Bala Krishnamoorthy, Mahantesh Halappanavar, Shengwei Hu, Vidyasagar Sathuvalli
Abstract: We explore the application of machine learning algorithms specifically to enhance the selection process of Russet potato clones in breeding trials by predicting their suitability for advancement. This study addresses the challenge of efficiently identifying high-yield, disease-resistant, and climate-resilient potato varieties that meet processing industry standards. Leveraging manually collected data from trials in the state of Oregon, we investigate the potential of a wide variety of state-of-the-art binary classification models. The dataset includes 1086 clones, with data on 38 attributes recorded for each clone, focusing on yield, size, appearance, and frying characteristics, with several control varieties planted consistently across four Oregon regions from 2013-2021. We conduct a comprehensive analysis of the dataset that includes preprocessing, feature engineering, and imputation to address missing values. We focus on several key metrics such as accuracy, F1-score, and Matthews correlation coefficient (MCC) for model evaluation. The top-performing models, namely a neural network classifier (Neural Net), histogram-based gradient boosting classifier (HGBC), and a support vector machine classifier (SVM), demonstrate consistent and significant results. To further validate our findings, we conduct a simulation study. By simulating different data-generating scenarios, we assess model robustness and performance through true positive, true negative, false positive, and false negative distributions, area under the receiver operating characteristic curve (AUC-ROC) and MCC. The simulation results highlight that non-linear models like SVM and HGBC consistently show higher AUC-ROC and MCC than logistic regression (LR), thus outperforming the traditional linear model across various distributions, and emphasizing the importance of model selection and tuning in agricultural trials.
Authors: Yichen Bao, Han Lu, Quanxue Gao
Abstract: Fuzzy K-Means clustering is a critical technique in unsupervised data analysis. Unlike traditional hard clustering algorithms such as K-Means, it allows data points to belong to multiple clusters with varying degrees of membership, determined through iterative optimization to establish optimal cluster centers and memberships, thereby achieving fuzzy partitioning of data. However, the performance of popular Fuzzy K-Means algorithms is sensitive to the selection of initial cluster centroids and is also affected by noise when updating mean cluster centroids. To address these challenges, this paper proposes a novel Fuzzy \textit{K}-Means clustering algorithm that entirely eliminates the reliance on cluster centroids, obtaining membership metrics solely through distance matrix computation. This innovation enhances flexibility in distance measurement between sample points, thus improving the algorithm's performance and robustness. The paper also establishes theoretical connections between the proposed model and popular Fuzzy K-Means clustering techniques. Experimental results on several real datasets demonstrate the effectiveness of the algorithm.
Authors: Guanghao Wei, Yining Huang, Chenru Duan, Yue Song, Yuanqi Du
Abstract: Recent progress of deep generative models in the vision and language domain has stimulated significant interest in more structured data generation such as molecules. However, beyond generating new random molecules, efficient exploration and a comprehensive understanding of the vast chemical space are of great importance to molecular science and applications in drug design and materials discovery. In this paper, we propose a new framework, ChemFlow, to traverse chemical space through navigating the latent space learned by molecule generative models through flows. We introduce a dynamical system perspective that formulates the problem as learning a vector field that transports the mass of the molecular distribution to the region with desired molecular properties or structure diversity. Under this framework, we unify previous approaches on molecule latent space traversal and optimization and propose alternative competing methods incorporating different physical priors. We validate the efficacy of ChemFlow on molecule manipulation and single- and multi-objective molecule optimization tasks under both supervised and unsupervised molecular discovery settings. Codes and demos are publicly available on GitHub at https://github.com/garywei944/ChemFlow.
Authors: Junfeng Hu, Xu Liu, Zhencheng Fan, Yifang Yin, Shili Xiang, Savitha Ramasamy, Roger Zimmermann
Abstract: Spatio-temporal graph neural networks have proven efficacy in capturing complex dependencies for urban computing tasks such as forecasting and kriging. Yet, their performance is constrained by the reliance on extensive data for training on a specific task, thereby limiting their adaptability to new urban domains with varied task demands. Although transfer learning has been proposed to remedy this problem by leveraging knowledge across domains, the cross-task generalization still remains under-explored in spatio-temporal graph transfer learning due to the lack of a unified framework. To bridge the gap, we propose Spatio-Temporal Graph Prompting (STGP), a prompt-based framework capable of adapting to multi-diverse tasks in a data-scarce domain. Specifically, we first unify different tasks into a single template and introduce a task-agnostic network architecture that aligns with this template. This approach enables capturing dependencies shared across tasks. Furthermore, we employ learnable prompts to achieve domain and task transfer in a two-stage prompting pipeline, facilitating the prompts to effectively capture domain knowledge and task-specific properties. Our extensive experiments demonstrate that STGP outperforms state-of-the-art baselines in three tasks-forecasting, kriging, and extrapolation-achieving an improvement of up to 10.7%.
Authors: Md Abrar Jahin, Asef Shahriar, Md Al Amin
Abstract: Accurate demand forecasting is crucial for optimizing supply chain management. Traditional methods often fail to capture complex patterns from seasonal variability and special events. Despite advancements in deep learning, interpretable forecasting models remain a challenge. To address this, we introduce the Multi-Channel Data Fusion Network (MCDFN), a hybrid architecture that integrates Convolutional Neural Networks (CNN), Long Short-Term Memory networks (LSTM), and Gated Recurrent Units (GRU) to enhance predictive performance by extracting spatial and temporal features from time series data. Our comparative benchmarking demonstrates that MCDFN outperforms seven other deep-learning models, achieving superior metrics: MSE (23.5738), RMSE (4.8553), MAE (3.9991), and MAPE (20.1575%). Additionally, MCDFN's predictions were statistically indistinguishable from actual values, confirmed by a paired t-test with a 5% p-value and a 10-fold cross-validated statistical paired t-test. We apply explainable AI techniques like ShapTime and Permutation Feature Importance to enhance interpretability. This research advances demand forecasting methodologies and offers practical guidelines for integrating MCDFN into supply chain systems, highlighting future research directions for scalability and user-friendly deployment.
Authors: Zheng Zhai, Jialu Xu, Mingxin Wu, Xiaohui Li
Abstract: This paper introduces a regularized projection matrix approximation framework designed to recover cluster information from the affinity matrix. The model is formulated as a projection approximation problem, incorporating an entry-wise penalty function. We investigate three distinct penalty functions, each specifically tailored to address bounded, positive, and sparse scenarios. To solve this problem, we propose direct optimization on the Stiefel manifold, utilizing the Cayley transformation along with the Alternating Direction Method of Multipliers (ADMM) algorithm. Additionally, we provide a theoretical analysis that establishes the convergence properties of ADMM, demonstrating that the convergence point satisfies the KKT conditions of the original problem. Numerical experiments conducted on both synthetic and real-world datasets reveal that our regularized projection matrix approximation approach significantly outperforms state-of-the-art methods in clustering performance.
Authors: Hyunseok Lee, Jihoon Tack, Jinwoo Shin
Abstract: The remarkable capabilities and easy accessibility of large language models (LLMs) have significantly increased societal risks (e.g., fake news generation), necessitating the development of LLM-generated text (LGT) detection methods for safe usage. However, detecting LGTs is challenging due to the vast number of LLMs, making it impractical to account for each LLM individually; hence, it is crucial to identify the common characteristics shared by these models. In this paper, we draw attention to a common feature of recent powerful LLMs, namely the alignment training, i.e., training LLMs to generate human-preferable texts. Our key finding is that as these aligned LLMs are trained to maximize the human preferences, they generate texts with higher estimated preferences even than human-written texts; thus, such texts are easily detected by using the reward model (i.e., an LLM trained to model human preference distribution). Based on this finding, we propose two training schemes to further improve the detection ability of the reward model, namely (i) continual preference fine-tuning to make the reward model prefer aligned LGTs even further and (ii) reward modeling of Human/LLM mixed texts (a rephrased texts from human-written texts using aligned LLMs), which serves as a median preference text corpus between LGTs and human-written texts to learn the decision boundary better. We provide an extensive evaluation by considering six text domains across twelve aligned LLMs, where our method demonstrates state-of-the-art results. Code is available at https://github.com/hyunseoklee-ai/ReMoDetect.
Authors: Robert Wu, Vardan Papyan
Abstract: Neural collapse ($\mathcal{NC}$) is a phenomenon observed in classification tasks where top-layer representations collapse into their class means, which become equinorm, equiangular and aligned with the classifiers. These behaviors -- associated with generalization and robustness -- would manifest under specific conditions: models are trained towards zero loss, with noise-free labels belonging to balanced classes, which do not outnumber the model's hidden dimension. Recent studies have explored $\mathcal{NC}$ in the absence of one or more of these conditions to extend and capitalize on the associated benefits of ideal geometries. Language modeling presents a curious frontier, as \textit{training by token prediction} constitutes a classification task where none of the conditions exist: the vocabulary is imbalanced and exceeds the embedding dimension; different tokens might correspond to similar contextual embeddings; and large language models (LLMs) in particular are typically only trained for a few epochs. This paper empirically investigates the impact of scaling the architectures and training of causal language models (CLMs) on their progression towards $\mathcal{NC}$. We find that $\mathcal{NC}$ properties that develop with scale (and regularization) are linked to generalization. Moreover, there is evidence of some relationship between $\mathcal{NC}$ and generalization independent of scale. Our work thereby underscores the generality of $\mathcal{NC}$ as it extends to the novel and more challenging setting of language modeling. Downstream, we seek to inspire further research on the phenomenon to deepen our understanding of LLMs -- and neural networks at large -- and improve existing architectures based on $\mathcal{NC}$-related properties. Our code is hosted on GitHub at https://github.com/rhubarbwu/linguistic-collapse .
Authors: Bobby He, Lorenzo Noci, Daniele Paliotta, Imanol Schlag, Thomas Hofmann
Abstract: Outlier Features (OFs) are neurons whose activation magnitudes significantly exceed the average over a neural network's (NN) width. They are well known to emerge during standard transformer training and have the undesirable effect of hindering quantisation in afflicted models. Despite their practical importance, little is known behind why OFs emerge during training, nor how one can minimise them. Our work focuses on the above questions, first identifying several quantitative metrics, such as the kurtosis over neuron activation norms, to measure OFs. With these metrics, we study how architectural and optimisation choices influence OFs, and provide practical insights to minimise OFs during training. As highlights, we introduce a novel unnormalised transformer block, the Outlier Protected block, and present a previously unknown benefit of non-diagonal preconditioning optimisers, finding both approaches to significantly reduce OFs and improve quantisation without compromising convergence speed, at scales of up to 7B parameters. Notably, our combination of OP block and non-diagonal preconditioner (SOAP) achieves 14.87 int8 weight-and-activation perplexity (from 14.71 in standard precision), compared to 63.4 int8 perplexity (from 16.00) with a default OF-prone combination of Pre-Norm model and Adam, when quantising OPT-125m models post-training. Overall, our findings shed new light on our understanding of, our ability to prevent, and the complexity of this important aspect of NN training dynamics.
Authors: B. N. Kausik
Abstract: Deep learning neural network models must be large enough to adapt to their problem domain, while small enough to avoid overfitting training data during gradient descent. To balance these competing demands, overprovisioned deep learning models such as transformers are trained for a single epoch on large data sets, and hence inefficient with both computing resources and training data. In response to these inefficiencies, we exploit learning theory to derive Occam Gradient Descent, an algorithm that interleaves adaptive reduction of model size to minimize generalization error, with gradient descent on model weights to minimize fitting error. In contrast, traditional gradient descent greedily minimizes fitting error without regard to generalization error. Our algorithm simultaneously descends the space of weights and topological size of any neural network without modification. With respect to loss, compute and model size, our experiments show (a) on image classification benchmarks, linear and convolutional neural networks trained with Occam Gradient Descent outperform traditional gradient descent with or without post-train pruning; (b) on a range of tabular data classification tasks, neural networks trained with Occam Gradient Descent outperform traditional gradient descent, as well as Random Forests; (c) on natural language transformers, Occam Gradient Descent outperforms traditional gradient descent.
Authors: Sharmila Duppala, Juan Luque, John P. Dickerson, Seyed A. Esmaeili
Abstract: We study the canonical fair clustering problem where each cluster is constrained to have close to population-level representation of each group. Despite significant attention, the salient issue of having incomplete knowledge about the group membership of each point has been superficially addressed. In this paper, we consider a setting where the assigned group memberships are noisy. We introduce a simple noise model that requires a small number of parameters to be given by the decision maker. We then present an algorithm for fair clustering with provable \emph{robustness} guarantees. Our framework enables the decision maker to trade off between the robustness and the clustering quality. Unlike previous work, our algorithms are backed by worst-case theoretical guarantees. Finally, we empirically verify the performance of our algorithm on real world datasets and show its superior performance over existing baselines.
Authors: Ben Shaw, Abram Magner, Kevin R. Moon
Abstract: Symmetry detection can improve various machine learning tasks. In the context of continuous symmetry detection, current state of the art experiments are limited to detecting affine transformations. Under the manifold assumption, we outline a framework for discovering continuous symmetry in data beyond the affine transformation group. We also provide a similar framework for discovering discrete symmetry. We experimentally compare our method to an existing method known as LieGAN and show that our method is competitive at detecting affine symmetries for large sample sizes and superior than LieGAN for small sample sizes. We also show our method is able to detect continuous symmetries beyond the affine group and is generally more computationally efficient than LieGAN.
Authors: Tomas Kulvicius, Dajie Zhang, Luise Poustka, Sven B\"olte, Lennart Jahn, Sarah Fl\"ugge, Marc Kraft, Markus Zweckstetter, Karin Nielsen-Saines, Florentin W\"org\"otter, Peter B Marschik
Abstract: To assess the integrity of the developing nervous system, the Prechtl general movement assessment (GMA) is recognized for its clinical value in diagnosing neurological impairments in early infancy. GMA has been increasingly augmented through machine learning approaches intending to scale-up its application, circumvent costs in the training of human assessors and further standardize classification of spontaneous motor patterns. Available deep learning tools, all of which are based on single sensor modalities, are however still considerably inferior to that of well-trained human assessors. These approaches are hardly comparable as all models are designed, trained and evaluated on proprietary/silo-data sets. With this study we propose a sensor fusion approach for assessing fidgety movements (FMs). FMs were recorded from 51 typically developing participants. We compared three different sensor modalities (pressure, inertial, and visual sensors). Various combinations and two sensor fusion approaches (late and early fusion) for infant movement classification were tested to evaluate whether a multi-sensor system outperforms single modality assessments. Convolutional neural network (CNN) architectures were used to classify movement patterns. The performance of the three-sensor fusion (classification accuracy of 94.5%) was significantly higher than that of any single modality evaluated. We show that the sensor fusion approach is a promising avenue for automated classification of infant motor patterns. The development of a robust sensor fusion system may significantly enhance AI-based early recognition of neurofunctions, ultimately facilitating automated early detection of neurodevelopmental conditions.
Authors: Jacob Dunefsky, Philippe Chlenski, Neel Nanda
Abstract: A key goal in mechanistic interpretability is circuit analysis: finding sparse subgraphs of models corresponding to specific behaviors or capabilities. However, MLP sublayers make fine-grained circuit analysis on transformer-based language models difficult. In particular, interpretable features -- such as those found by sparse autoencoders (SAEs) -- are typically linear combinations of extremely many neurons, each with its own nonlinearity to account for. Circuit analysis in this setting thus either yields intractably large circuits or fails to disentangle local and global behavior. To address this we explore transcoders, which seek to faithfully approximate a densely activating MLP layer with a wider, sparsely-activating MLP layer. We introduce a novel method for using transcoders to perform weights-based circuit analysis through MLP sublayers. The resulting circuits neatly factorize into input-dependent and input-invariant terms. We then successfully train transcoders on language models with 120M, 410M, and 1.4B parameters, and find them to perform at least on par with SAEs in terms of sparsity, faithfulness, and human-interpretability. Finally, we apply transcoders to reverse-engineer unknown circuits in the model, and we obtain novel insights regarding the "greater-than circuit" in GPT2-small. Our results suggest that transcoders can prove effective in decomposing model computations involving MLPs into interpretable circuits. Code is available at https://github.com/jacobdunefsky/transcoder_circuits/.
URLs: https://github.com/jacobdunefsky/transcoder_circuits/.
Authors: Wei Zhuo, Guang Tan
Abstract: Graph Neural Networks (GNNs) have shown remarkable success in learning from graph-structured data. However, their application to directed graphs (digraphs) presents unique challenges, primarily due to the inherent asymmetry in node relationships. Traditional GNNs are adept at capturing unidirectional relations but fall short in encoding the mutual path dependencies between nodes, such as asymmetrical shortest paths typically found in digraphs. Recognizing this gap, we introduce Commute Graph Neural Networks (CGNN), an approach that seamlessly integrates node-wise commute time into the message passing scheme. The cornerstone of CGNN is an efficient method for computing commute time using a newly formulated digraph Laplacian. Commute time is then integrated into the neighborhood aggregation process, with neighbor contributions weighted according to their respective commute time to the central node in each layer. It enables CGNN to directly capture the mutual, asymmetric relationships in digraphs. Extensive experiments confirm the superior performance of CGNN.
Authors: Ahmad Naser Eddin, Jacopo Bono, David Apar\'icio, Hugo Ferreira, Pedro Ribeiro, Pedro Bizarro
Abstract: Continuous-time dynamic graphs (CTDGs) are essential for modeling interconnected, evolving systems. Traditional methods for extracting knowledge from these graphs often depend on feature engineering or deep learning. Feature engineering is limited by the manual and time-intensive nature of crafting features, while deep learning approaches suffer from high inference latency, making them impractical for real-time applications. This paper introduces Deep-Graph-Sprints (DGS), a novel deep learning architecture designed for efficient representation learning on CTDGs with low-latency inference requirements. We benchmark DGS against state-of-the-art (SOTA) feature engineering and graph neural network methods using five diverse datasets. The results indicate that DGS achieves competitive performance while inference speed improves between 4x and 12x compared to other deep learning approaches on our benchmark datasets. Our method effectively bridges the gap between deep representation learning and low-latency application requirements for CTDGs.
Authors: Qingyun Sun, Zhen Guo
Abstract: We propose a scaling law hypothesis for multimodal models processing text, audio, images, and video within a shared token and embedding space. Our framework predicts model performance based on modality-specific compression and tokenization efficiency, extending established scaling laws from text-based decoder models to mixed-modality systems. We explore whether leveraging more training data in multiple modalities can reduce the size of the multimodal model, enabling efficient deployment on resource-constrained devices.
Authors: Lei Gao, Amir Ziashahabi, Yue Niu, Salman Avestimehr, Murali Annavaram
Abstract: Large Language Models (LLMs) are currently pre-trained and fine-tuned on large cloud servers. The next frontier is LLM personalization, where a foundation model can be fine-tuned with user/task-specific data. Given the sensitive nature of such private data, it is desirable to fine-tune these models on edge devices to improve user trust. However, fine-tuning on resource-constrained edge devices presents significant challenges due to substantial memory and computational demands, as well as limited infrastructure support. We observe that inference engines (e.g., ExecuTorch) can be repurposed for fine-tuning by leveraging zeroth-order (ZO) optimization, which uses multiple forward passes to approximate gradients. However, directly applying ZO methods on edge devices is impractical due to the high computational cost of multiple model perturbations required to achieve accuracy improvements. Based on these observations, we propose a memory- and computation-efficient LLM fine-tuning method for edge devices. Our approach has three key innovations: (1) We introduce a parallelized randomized gradient estimation (P-RGE) technique that achieves high parallel efficiency by leveraging outer-loop and inner-loop parallelization. This enables multiple function queries and forward passes to be executed in parallel, reducing training time. (2) We integrate P-RGE with parameter-efficient fine-tuning methods (e.g. LoRA) to further reduce computational and memory overhead. (3) We implement a P-RGE LoRA-FA module that fully supports fine-tuning with ExecuTorch. Our approach requires no modifications to ExecuTorch's runtime code, as it can be implemented with server-side code changes only. Experiments demonstrate that P-RGE achieves substantial runtime speedups and memory savings while improving fine-tuning accuracy, paving the way for practical deployment of LLMs in real-time, on-device applications.
Authors: Jett Janiak, Jacek Karwowski, Chatrik Singh Mangat, Giorgi Giglemiani, Nora Petrova, Stefan Heimersheim
Abstract: We identify stable regions in the residual stream of Transformers, where the model's output remains insensitive to small activation changes, but exhibits high sensitivity at region boundaries. These regions emerge during training and become more defined as training progresses or model size increases. The regions appear to be much larger than previously studied polytopes. Our analysis suggests that these stable regions align with semantic distinctions, where similar prompts cluster within regions, and activations from the same region lead to similar next token predictions. This work provides a promising research direction for understanding the complexity of neural networks, shedding light on training dynamics, and advancing interpretability.
Authors: Anthony Costarelli, Mat Allen, Severin Field
Abstract: As Large Language Models (LLMs) become increasingly integrated into our daily lives, the potential harms from deceptive behavior underlie the need for faithfully interpreting their decision-making. While traditional probing methods have shown some effectiveness, they remain best for narrowly scoped tasks while more comprehensive explanations are still necessary. To this end, we investigate meta-models-an architecture using a "meta-model" that takes activations from an "input-model" and answers natural language questions about the input-model's behaviors. We evaluate the meta-model's ability to generalize by training them on selected task types and assessing their out-of-distribution performance in deceptive scenarios. Our findings show that meta-models generalize well to out-of-distribution tasks and point towards opportunities for future research in this area. Our code is available at https://github.com/acostarelli/meta-models-public .
Authors: Tianyu Guo, Druv Pai, Yu Bai, Jiantao Jiao, Michael I. Jordan, Song Mei
Abstract: Practitioners have consistently observed three puzzling phenomena in transformer-based large language models (LLMs): attention sinks, value-state drains, and residual-state peaks, collectively referred to as extreme-token phenomena. These phenomena are characterized by certain so-called "sink tokens" receiving disproportionately high attention weights, exhibiting significantly smaller value states, and having much larger residual-state norms than those of other tokens. These extreme tokens give rise to various challenges in LLM inference, quantization, and interpretability. We elucidate the mechanisms behind extreme-token phenomena. First, we show that these phenomena arise in very simple architectures -- transformers with one to three layers -- trained on a toy model, the Bigram-Backcopy (BB) task. In this setting, we identify an active-dormant mechanism, where attention heads become sinks for specific input domains while remaining non-sinks for others. Our theoretical analysis of the training dynamics reveals that these phenomena are driven by a mutual reinforcement mechanism. Building on these insights, we propose strategies to mitigate extreme-token phenomena during pretraining, including replacing softmax with ReLU and Adam with SGD. Next, we extend our analysis to pretrained LLMs, including Llama and OLMo, showing that many attention heads exhibit a similar active-dormant mechanism as in the BB task, and that the mutual reinforcement mechanism also governs the emergence of extreme-token phenomena during LLM pretraining. Our results reveal that many of the static and dynamic properties of extreme-token phenomena predicted by the BB task align with observations in pretrained LLMs.
Authors: Marco Nurisso, Pierrick Leroy, Francesco Vaccarino
Abstract: Studying the interplay between the geometry of the loss landscape and the optimization trajectories of simple neural networks is a fundamental step for understanding their behavior in more complex settings. This paper reveals the presence of topological obstruction in the loss landscape of shallow ReLU neural networks trained using gradient flow. We discuss how the homogeneous nature of the ReLU activation function constrains the training trajectories to lie on a product of quadric hypersurfaces whose shape depends on the particular initialization of the network's parameters. When the neural network's output is a single scalar, we prove that these quadrics can have multiple connected components, limiting the set of reachable parameters during training. We analytically compute the number of these components and discuss the possibility of mapping one to the other through neuron rescaling and permutation. In this simple setting, we find that the non-connectedness results in a topological obstruction, which, depending on the initialization, can make the global optimum unreachable. We validate this result with numerical experiments.
Authors: Thomas Robert, Mher Safaryan, Ionut-Vlad Modoranu, Dan Alistarh
Abstract: We introduce LDAdam, a memory-efficient optimizer for training large models, that performs adaptive optimization steps within lower dimensional subspaces, while consistently exploring the full parameter space during training. This strategy keeps the optimizer's memory footprint to a fraction of the model size. LDAdam relies on a new projection-aware update rule for the optimizer states that allows for transitioning between subspaces, i.e., estimation of the statistics of the projected gradients. To mitigate the errors due to low-rank projection, LDAdam integrates a new generalized error feedback mechanism, which explicitly accounts for both gradient and optimizer state compression. We prove the convergence of LDAdam under standard assumptions, and show that LDAdam allows for accurate and efficient fine-tuning and pre-training of language models.
Authors: Tang Li, Mengmeng Ma, Xi Peng
Abstract: Large pretrained foundation models demonstrate exceptional performance and, in some high-stakes applications, even surpass human experts. However, most of these models are currently evaluated primarily on prediction accuracy, overlooking the validity of the rationales behind their accurate predictions. For the safe deployment of foundation models, there is a pressing need to ensure double-correct predictions, i.e., correct prediction backed by correct rationales. To achieve this, we propose a two-phase scheme: First, we curate a new dataset that offers structured rationales for visual recognition tasks. Second, we propose a rationale-informed optimization method to guide the model in disentangling and localizing visual evidence for each rationale, without requiring manual annotations. Extensive experiments and ablation studies demonstrate that our model outperforms state-of-the-art models by up to 10.1% in prediction accuracy across a wide range of tasks. Furthermore, our method significantly improves the model's rationale correctness, improving localization by 7.5% and disentanglement by 36.5%. Our dataset, source code, and pretrained weights: https://github.com/deep-real/DCP
Authors: Tempest A. van Schaik, Xinggang Liu, Louis Atallah, Omar Badawi
Abstract: This work proposes a fairness monitoring approach for machine learning models that predict patient mortality in the ICU. We investigate how well models perform for patient groups with different race, sex and medical diagnoses. We investigate Documentation bias in clinical measurement, showing how fairness analysis provides a more detailed and insightful comparison of model performance than traditional accuracy metrics alone.
Authors: Yunshi Wen, Tengfei Ma, Tsui-Wei Weng, Lam M. Nguyen, Anak Agung Julius
Abstract: In time-series analysis, many recent works seek to provide a unified view and representation for time-series across multiple domains, leading to the development of foundation models for time-series data. Despite diverse modeling techniques, existing models are black boxes and fail to provide insights and explanations about their representations. In this paper, we present VQShape, a pre-trained, generalizable, and interpretable model for time-series representation learning and classification. By introducing a novel representation for time-series data, we forge a connection between the latent space of VQShape and shape-level features. Using vector quantization, we show that time-series from different domains can be described using a unified set of low-dimensional codes, where each code can be represented as an abstracted shape in the time domain. On classification tasks, we show that the representations of VQShape can be utilized to build interpretable classifiers, achieving comparable performance to specialist models. Additionally, in zero-shot learning, VQShape and its codebook can generalize to previously unseen datasets and domains that are not included in the pre-training process. The code and pre-trained weights are available at https://github.com/YunshiWen/VQShape.
Authors: Hrithik Ravi, Clayton Scott, Daniel Soudry, Yutong Wang
Abstract: Implicit bias describes the phenomenon where optimization-based training algorithms, without explicit regularization, show a preference for simple estimators even when more complex estimators have equal objective values. Multiple works have developed the theory of implicit bias for binary classification under the assumption that the loss satisfies an exponential tail property. However, there is a noticeable gap in analysis for multiclass classification, with only a handful of results which themselves are restricted to the cross-entropy loss. In this work, we employ the framework of Permutation Equivariant and Relative Margin-based (PERM) losses [Wang and Scott, 2024] to introduce a multiclass extension of the exponential tail property. This class of losses includes not only cross-entropy but also other losses. Using this framework, we extend the implicit bias result of Soudry et al. [2018] to multiclass classification. Furthermore, our proof techniques closely mirror those of the binary case, thus illustrating the power of the PERM framework for bridging the binary-multiclass gap.
Authors: Aofeng Su, Aowen Wang, Chao Ye, Chen Zhou, Ga Zhang, Gang Chen, Guangcheng Zhu, Haobo Wang, Haokai Xu, Hao Chen, Haoze Li, Haoxuan Lan, Jiaming Tian, Jing Yuan, Junbo Zhao, Junlin Zhou, Kaizhe Shou, Liangyu Zha, Lin Long, Liyao Li, Pengzuo Wu, Qi Zhang, Qingyi Huang, Saisai Yang, Tao Zhang, Wentao Ye, Wufang Zhu, Xiaomeng Hu, Xijun Gu, Xinjie Sun, Xiang Li, Yuhang Yang, Zhiqing Xiao
Abstract: The emergence of models like GPTs, Claude, LLaMA, and Qwen has reshaped AI applications, presenting vast new opportunities across industries. Yet, the integration of tabular data remains notably underdeveloped, despite its foundational role in numerous real-world domains. This gap is critical for three main reasons. First, database or data warehouse data integration is essential for advanced applications; second, the vast and largely untapped resource of tabular data offers immense potential for analysis; and third, the business intelligence domain specifically demands adaptable, precise solutions that many current LLMs may struggle to provide. In response, we introduce TableGPT2, a model rigorously pre-trained and fine-tuned with over 593.8K tables and 2.36M high-quality query-table-output tuples, a scale of table-related data unprecedented in prior research. This extensive training enables TableGPT2 to excel in table-centric tasks while maintaining strong general language and coding abilities. One of TableGPT2's key innovations is its novel table encoder, specifically designed to capture schema-level and cell-level information. This encoder strengthens the model's ability to handle ambiguous queries, missing column names, and irregular tables commonly encountered in real-world applications. Similar to visual language models, this pioneering approach integrates with the decoder to form a robust large multimodal model. We believe the results are compelling: over 23 benchmarking metrics, TableGPT2 achieves an average performance improvement of 35.20% in the 7B model and 49.32% in the 72B model over prior benchmark-neutral LLMs, with robust general-purpose capabilities intact.
Authors: Marcello Bullo, Seifallah Jardak, Pietro Carnelli, Deniz G\"und\"uz
Abstract: The growing demand for intelligent applications beyond the network edge, coupled with the need for sustainable operation, are driving the seamless integration of deep learning (DL) algorithms into energy-limited, and even energy-harvesting end-devices. However, the stochastic nature of ambient energy sources often results in insufficient harvesting rates, failing to meet the energy requirements for inference and causing significant performance degradation in energy-agnostic systems. To address this problem, we consider an on-device adaptive inference system equipped with an energy-harvester and finite-capacity energy storage. We then allow the device to reduce the run-time execution cost on-demand, by either switching between differently-sized neural networks, referred to as multi-model selection (MMS), or by enabling earlier predictions at intermediate layers, called early exiting (EE). The model to be employed, or the exit point is then dynamically chosen based on the energy storage and harvesting process states. We also study the efficacy of integrating the prediction confidence into the decision-making process. We derive a principled policy with theoretical guarantees for confidence-aware and -agnostic controllers. Moreover, in multi-exit networks, we study the advantages of taking decisions incrementally, exit-by-exit, by designing a lightweight reinforcement learning-based controller. Experimental results show that, as the rate of the ambient energy increases, energy- and confidence-aware control schemes show approximately 5% improvement in accuracy compared to their energy-aware confidence-agnostic counterparts. Incremental approaches achieve even higher accuracy, particularly when the energy storage capacity is limited relative to the energy consumption of the inference model.
Authors: Marco Wiedmann, Maniraman Periyasamy, Daniel D. Scherer
Abstract: VQC can be understood through the lens of Fourier analysis. It is already well-known that the function space represented by any circuit architecture can be described through a truncated Fourier sum. We show that the spectrum available to that truncated Fourier sum is not entirely determined by the encoding gates of the circuit, since the variational part of the circuit can constrain certain coefficients to zero, effectively removing that frequency from the spectrum. To the best of our knowledge, we give the first description of the functional dependence of the Fourier coefficients on the variational parameters as trigonometric polynomials. This allows us to provide an algorithm which computes the exact spectrum of any given circuit and the corresponding Fourier coefficients. Finally, we demonstrate that by comparing the Fourier transform of the dataset to the available spectra, it is possible to predict which VQC out of a given list of choices will be able to best fit the data.
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, but we can train a small transformer to achieve perfect accuracy. Building on our set-up, we then pursue an understanding of precisely how a three-layer transformer, trained from scratch, solves this problem. We are able to identify certain "planning" and "reasoning" circuits in the network that necessitate cooperation between the attention blocks to implement the desired logic. To expand our findings, we then study a larger model, Mistral 7B. Using activation patching, we characterize internal components that are critical in solving our logic problem. Overall, our work systemically uncovers novel aspects of small and large transformers, and continues the study of how they plan and reason.
Authors: Vivek Borkar, Shuhang Chen, Adithya Devraj, Ioannis Kontoyiannis, Sean Meyn
Abstract: The paper concerns the $d$-dimensional stochastic approximation recursion, $$ \theta_{n+1}= \theta_n + \alpha_{n + 1} f(\theta_n, \Phi_{n+1}) $$ where $ \{ \Phi_n \}$ is a stochastic process on a general state space, satisfying a conditional Markov property that allows for parameter-dependent noise. The main results are established under additional conditions on the mean flow and a version of the Donsker-Varadhan Lyapunov drift condition known as (DV3): {(i)} An appropriate Lyapunov function is constructed that implies convergence of the estimates in $L_4$. {(ii)} A functional central limit theorem (CLT) is established, as well as the usual one-dimensional CLT for the normalized error. Moment bounds combined with the CLT imply convergence of the normalized covariance $\textsf{E} [ z_n z_n^T ]$ to the asymptotic covariance in the CLT, where $z_n{=:} (\theta_n-\theta^*)/\sqrt{\alpha_n}$. {(iii)} The CLT holds for the normalized version $z^{\text{PR}}_n{=:} \sqrt{n} [\theta^{\text{PR}}_n -\theta^*]$, of the averaged parameters $\theta^{\text{PR}}_n {=:} n^{-1} \sum_{k=1}^n\theta_k$, subject to standard assumptions on the step-size. Moreover, the covariance in the CLT coincides with the minimal covariance of Polyak and Ruppert. {(iv)} An example is given where $f$ and $\bar{f}$ are linear in $\theta$, and $\Phi$ is a geometrically ergodic Markov chain but does not satisfy (DV3). While the algorithm is convergent, the second moment of $\theta_n$ is unbounded and in fact diverges. {\bf This arXiv version 3 represents a major extension of the results in prior versions.} The main results now allow for parameter-dependent noise, as is often the case in applications to reinforcement learning.
Authors: Maximillian Chen, Zhou Yu
Abstract: Speech models have long been known to overfit individual speakers for many classification tasks. This leads to poor generalization in settings where the speakers are out-of-domain or out-of-distribution, as is common in production environments. We view speaker adaptation as a few-shot learning problem and propose investigating transfer learning approaches inspired by recent success with pre-trained models in natural language tasks. We propose pre-finetuning speech models on difficult tasks to distill knowledge into few-shot downstream classification objectives. We pre-finetune Wav2Vec2.0 on every permutation of four multiclass emotional speech recognition corpora and evaluate our pre-finetuned models through 33,600 few-shot fine-tuning trials on the Emotional Speech Dataset.
Authors: Philipp Dominic Siedler
Abstract: Finding a balance between collaboration and competition is crucial for artificial agents in many real-world applications. We investigate this using a Multi-Agent Reinforcement Learning (MARL) setup on the back of a high-impact problem. The accumulation and yearly growth of plastic in the ocean cause irreparable damage to many aspects of oceanic health and the marina system. To prevent further damage, we need to find ways to reduce macroplastics from known plastic patches in the ocean. Here we propose a Graph Neural Network (GNN) based communication mechanism that increases the agents' observation space. In our custom environment, agents control a plastic collecting vessel. The communication mechanism enables agents to develop a communication protocol using a binary signal. While the goal of the agent collective is to clean up as much as possible, agents are rewarded for the individual amount of macroplastics collected. Hence agents have to learn to communicate effectively while maintaining high individual performance. We compare our proposed communication mechanism with a multi-agent baseline without the ability to communicate. Results show communication enables collaboration and increases collective performance significantly. This means agents have learned the importance of communication and found a balance between collaboration and competition.
Authors: Navami Kairanda, Marc Habermann, Christian Theobalt, Vladislav Golyanik
Abstract: Despite existing 3D cloth simulators producing realistic results, they predominantly operate on discrete surface representations (e.g. points and meshes) with a fixed spatial resolution, which often leads to large memory consumption and resolution-dependent simulations. Moreover, back-propagating gradients through the existing solvers is difficult, and they cannot be easily integrated into modern neural architectures. In response, this paper re-thinks physically plausible cloth simulation: We propose NeuralClothSim, i.e., a new quasistatic cloth simulator using thin shells, in which surface deformation is encoded in neural network weights in the form of a neural field. Our memory-efficient solver operates on a new continuous coordinate-based surface representation called neural deformation fields (NDFs); it supervises NDF equilibria with the laws of the non-linear Kirchhoff-Love shell theory with a non-linear anisotropic material model. NDFs are adaptive: They 1) allocate their capacity to the deformation details and 2) allow surface state queries at arbitrary spatial resolutions without re-training. We show how to train NeuralClothSim while imposing hard boundary conditions and demonstrate multiple applications, such as material interpolation and simulation editing. The experimental results highlight the effectiveness of our continuous neural formulation. See our project page: https://4dqv.mpi-inf.mpg.de/NeuralClothSim/.
Authors: Hongjian Wang, Aaditya Ramdas
Abstract: In 1976, Lai constructed a nontrivial confidence sequence for the mean $\mu$ of a Gaussian distribution with unknown variance $\sigma^2$. Curiously, he employed both an improper (right Haar) mixture over $\sigma$ and an improper (flat) mixture over $\mu$. Here, we elaborate carefully on the details of his construction, which use generalized nonintegrable martingales and an extended Ville's inequality. While this does yield a sequential t-test, it does not yield an "e-process" (due to the nonintegrability of his martingale). In this paper, we develop two new e-processes and confidence sequences for the same setting: one is a test martingale in a reduced filtration, while the other is an e-process in the canonical data filtration. These are respectively obtained by swapping Lai's flat mixture for a Gaussian mixture, and swapping the right Haar mixture over $\sigma$ with the maximum likelihood estimate under the null, as done in universal inference. We also analyze the width of resulting confidence sequences, which have a curious polynomial dependence on the error probability $\alpha$ that we prove to be not only unavoidable, but (for universal inference) even better than the classical fixed-sample t-test. Numerical experiments are provided along the way to compare and contrast the various approaches, including some recent suboptimal ones.
Authors: Mihir Prabhudesai, Anirudh Goyal, Deepak Pathak, Katerina Fragkiadaki
Abstract: Text-to-image diffusion models have recently emerged at the forefront of image generation, powered by very large-scale unsupervised or weakly supervised text-to-image training datasets. Due to their unsupervised training, controlling their behavior in downstream tasks, such as maximizing human-perceived image quality, image-text alignment, or ethical image generation, is difficult. Recent works finetune diffusion models to downstream reward functions using vanilla reinforcement learning, notorious for the high variance of the gradient estimators. In this paper, we propose AlignProp, a method that aligns diffusion models to downstream reward functions using end-to-end backpropagation of the reward gradient through the denoising process. While naive implementation of such backpropagation would require prohibitive memory resources for storing the partial derivatives of modern text-to-image models, AlignProp finetunes low-rank adapter weight modules and uses gradient checkpointing, to render its memory usage viable. We test AlignProp in finetuning diffusion models to various objectives, such as image-text semantic alignment, aesthetics, compressibility and controllability of the number of objects present, as well as their combinations. We show AlignProp achieves higher rewards in fewer training steps than alternatives, while being conceptually simpler, making it a straightforward choice for optimizing diffusion models for differentiable reward functions of interest. Code and Visualization results are available at https://align-prop.github.io/.
Authors: Dominik Klein, Th\'eo Uscidda, Fabian Theis, Marco Cuturi
Abstract: Single-cell genomics has significantly advanced our understanding of cellular behavior, catalyzing innovations in treatments and precision medicine. However, single-cell sequencing technologies are inherently destructive and can only measure a limited array of data modalities simultaneously. This limitation underscores the need for new methods capable of realigning cells. Optimal transport (OT) has emerged as a potent solution, but traditional discrete solvers are hampered by scalability, privacy, and out-of-sample estimation issues. These challenges have spurred the development of neural network-based solvers, known as neural OT solvers, that parameterize OT maps. Yet, these models often lack the flexibility needed for broader life science applications. To address these deficiencies, our approach learns stochastic maps (i.e. transport plans), allows for any cost function, relaxes mass conservation constraints and integrates quadratic solvers to tackle the complex challenges posed by the (Fused) Gromov-Wasserstein problem. Utilizing flow matching as a backbone, our method offers a flexible and effective framework. We demonstrate its versatility and robustness through applications in cell development studies, cellular drug response modeling, and cross-modality cell translation, illustrating significant potential for enhancing therapeutic strategies.
Authors: Daesoo Lee, Oscar Ovanger, Jo Eidsvik, Erlend Aune, Jacob Skauvold, Ragnar Hauge
Abstract: Creating accurate and geologically realistic reservoir facies based on limited measurements is crucial for field development and reservoir management, especially in the oil and gas sector. Traditional two-point geostatistics, while foundational, often struggle to capture complex geological patterns. Multi-point statistics offers more flexibility, but comes with its own challenges related to pattern configurations and storage limits. With the rise of Generative Adversarial Networks (GANs) and their success in various fields, there has been a shift towards using them for facies generation. However, recent advances in the computer vision domain have shown the superiority of diffusion models over GANs. Motivated by this, a novel Latent Diffusion Model is proposed, which is specifically designed for conditional generation of reservoir facies. The proposed model produces high-fidelity facies realizations that rigorously preserve conditioning data. It significantly outperforms a GAN-based alternative. Our implementation on GitHub: \url{https://github.com/ML4ITS/Latent-Diffusion-Model-for-Conditional-Reservoir-Facies-Generation}.
URLs: https://github.com/ML4ITS/Latent-Diffusion-Model-for-Conditional-Reservoir-Facies-Generation
Authors: Yifei Xiong, Xiliang Yang, Sanguo Zhang, Zhijian He
Abstract: Sequential neural posterior estimation (SNPE) techniques have been recently proposed for dealing with simulation-based models with intractable likelihoods. Unlike approximate Bayesian computation, SNPE techniques learn the posterior from sequential simulation using neural network-based conditional density estimators by minimizing a specific loss function. The SNPE method proposed by Lueckmann et al. (2017) used a calibration kernel to boost the sample weights around the observed data, resulting in a concentrated loss function. However, the use of calibration kernels may increase the variances of both the empirical loss and its gradient, making the training inefficient. To improve the stability of SNPE, this paper proposes to use an adaptive calibration kernel and several variance reduction techniques. The proposed method greatly speeds up the process of training and provides a better approximation of the posterior than the original SNPE method and some existing competitors as confirmed by numerical experiments. We also manage to demonstrate the superiority of the proposed method for a high-dimensional model with real-world dataset.
Authors: Xuyang Wu, Changxin Liu, Sindri Magnusson, Mikael Johansson
Abstract: Existing asynchronous distributed optimization algorithms often use diminishing step-sizes that cause slow practical convergence, or use fixed step-sizes that depend on and decrease with an upper bound of the delays. Not only are such delay bounds hard to obtain in advance, but they also tend to be large and rarely attained, resulting in unnecessarily slow convergence. This paper develops asynchronous versions of two distributed algorithms, Prox-DGD and DGD-ATC, for solving consensus optimization problems over undirected networks. In contrast to alternatives, our algorithms can converge to the fixed point set of their synchronous counterparts using step-sizes that are independent of the delays. We establish convergence guarantees for convex and strongly convex problems under both partial and total asynchrony. We also show that the convergence speed of the two asynchronous methods adjusts to the actual level of asynchrony rather than being constrained by the worst-case. Numerical experiments demonstrate a strong practical performance of our asynchronous algorithms.
Authors: Ketan Suhaas Saichandran
Abstract: Medical imaging refers to the technologies and methods utilized to view the human body and its inside, in order to diagnose, monitor, or even treat medical disorders. This paper aims to explore the application of deep learning techniques in the semantic segmentation of Cardiac short-axis MRI (Magnetic Resonance Imaging) images, aiming to enhance the diagnosis, monitoring, and treatment of medical disorders related to the heart. The focus centers on implementing various architectures that are derivatives of U-Net, to effectively isolate specific parts of the heart for comprehensive anatomical and functional analysis. Through a combination of images, graphs, and quantitative metrics, the efficacy of the models and their predictions are showcased. Additionally, this paper addresses encountered challenges and outline strategies for future improvements. This abstract provides a concise overview of the efforts in utilizing deep learning for cardiac image segmentation, emphasizing both the accomplishments and areas for further refinement.
Authors: Pragnya Ramjee, Bhuvan Sachdeva, Satvik Golechha, Shreyas Kulkarni, Geeta Fulari, Kaushik Murali, Mohit Jain
Abstract: The healthcare landscape is evolving, with patients seeking reliable information about their health conditions and available treatment options. Despite the abundance of information sources, the digital age overwhelms individuals with excess, often inaccurate information. Patients primarily trust medical professionals, highlighting the need for expert-endorsed health information. However, increased patient loads on experts has led to reduced communication time, impacting information sharing. To address this gap, we developed CataractBot, an experts-in-the-loop chatbot powered by LLMs, in collaboration with an eye hospital in India. CataractBot answers cataract surgery related questions instantly by querying a curated knowledge base and provides expert-verified responses asynchronously. It has multimodal and multilingual capabilities. In an in-the-wild deployment study with 55 participants, CataractBot proved valuable, providing anytime accessibility, saving time, accommodating diverse literacy levels, alleviating power differences, and adding a privacy layer between patients and doctors. Users reported that their trust in the system was established through expert verification. Broadly, our results could inform future work on designing expert-mediated LLM bots.
Authors: Prathamesh Dharangutte, Jie Gao, Ruobin Gong, Guanyang Wang
Abstract: This work proposes a class of differentially private mechanisms for linear queries, in particular range queries, that leverages correlated input perturbation to simultaneously achieve unbiasedness, consistency, statistical transparency, and control over utility requirements in terms of accuracy targets expressed either in certain query margins or as implied by the hierarchical database structure. The proposed Cascade Sampling algorithm instantiates the mechanism exactly and efficiently. Our theoretical and empirical analysis demonstrates that we achieve near-optimal utility, effectively compete with other methods, and retain all the favorable statistical properties discussed earlier.
Authors: Xiaomeng Hu, Pin-Yu Chen, Tsung-Yi Ho
Abstract: Large Language Models (LLMs) are becoming a prominent generative AI tool, where the user enters a query and the LLM generates an answer. To reduce harm and misuse, efforts have been made to align these LLMs to human values using advanced training techniques such as Reinforcement Learning from Human Feedback (RLHF). However, recent studies have highlighted the vulnerability of LLMs to adversarial jailbreak attempts aiming at subverting the embedded safety guardrails. To address this challenge, this paper defines and investigates the Refusal Loss of LLMs and then proposes a method called Gradient Cuff to detect jailbreak attempts. Gradient Cuff exploits the unique properties observed in the refusal loss landscape, including functional values and its smoothness, to design an effective two-step detection strategy. Experimental results on two aligned LLMs (LLaMA-2-7B-Chat and Vicuna-7B-V1.5) and six types of jailbreak attacks (GCG, AutoDAN, PAIR, TAP, Base64, and LRL) show that Gradient Cuff can significantly improve the LLM's rejection capability for malicious jailbreak queries, while maintaining the model's performance for benign user queries by adjusting the detection threshold.
Authors: Nikita Tsoy, Anna Mihalkova, Teodora Todorova, Nikola Konstantinov
Abstract: Cross-silo federated learning (FL) allows data owners to train accurate machine learning models by benefiting from each others private datasets. Unfortunately, the model accuracy benefits of collaboration are often undermined by privacy defenses. Therefore, to incentivize client participation in privacy-sensitive domains, a FL protocol should strike a delicate balance between privacy guarantees and end-model accuracy. In this paper, we study the question of when and how a server could design a FL protocol provably beneficial for all participants. First, we provide necessary and sufficient conditions for the existence of mutually beneficial protocols in the context of mean estimation and convex stochastic optimization. We also derive protocols that maximize the total clients' utility, given symmetric privacy preferences. Finally, we design protocols maximizing end-model accuracy and demonstrate their benefits in synthetic experiments.
Authors: Jerry Wei, Chengrun Yang, Xinying Song, Yifeng Lu, Nathan Hu, Jie Huang, Dustin Tran, Daiyi Peng, Ruibo Liu, Da Huang, Cosmo Du, Quoc V. Le
Abstract: Large language models (LLMs) often generate content that contains factual errors when responding to fact-seeking prompts on open-ended topics. To benchmark a model's long-form factuality in open domains, we first use GPT-4 to generate LongFact, a prompt set comprising thousands of questions spanning 38 topics. We then propose that LLM agents can be used as automated evaluators for long-form factuality through a method which we call Search-Augmented Factuality Evaluator (SAFE). SAFE utilizes an LLM to break down a long-form response into a set of individual facts and to evaluate the accuracy of each fact using a multi-step reasoning process comprising sending search queries to Google Search and determining whether a fact is supported by the search results. Furthermore, we propose extending F1 score as an aggregated metric for long-form factuality. To do so, we balance the percentage of supported facts in a response (precision) with the percentage of provided facts relative to a hyperparameter representing a user's preferred response length (recall). Empirically, we demonstrate that LLM agents can outperform crowdsourced human annotators - on a set of ~16k individual facts, SAFE agrees with crowdsourced human annotators 72% of the time, and on a random subset of 100 disagreement cases, SAFE wins 76% of the time. At the same time, SAFE is more than 20 times cheaper than human annotators. We also benchmark thirteen language models on LongFact across four model families (Gemini, GPT, Claude, and PaLM-2), finding that larger language models generally achieve better long-form factuality. LongFact, SAFE, and all experimental code are available at https://github.com/google-deepmind/long-form-factuality.
URLs: https://github.com/google-deepmind/long-form-factuality.
Authors: Dawei Zhu, Liang Wang, Nan Yang, Yifan Song, Wenhao Wu, Furu Wei, Sujian Li
Abstract: Embedding models play a pivot role in modern NLP applications such as IR and RAG. While the context limit of LLMs has been pushed beyond 1 million tokens, embedding models are still confined to a narrow context window not exceeding 8k tokens, refrained from application scenarios requiring long inputs such as legal contracts. This paper explores context window extension of existing embedding models, pushing the limit to 32k without requiring additional training. First, we examine the performance of current embedding models for long context retrieval on our newly constructed LongEmbed benchmark. LongEmbed comprises two synthetic tasks and four carefully chosen real-world tasks, featuring documents of varying length and dispersed target information. Benchmarking results underscore huge room for improvement in these models. Based on this, comprehensive experiments show that training-free context window extension strategies like position interpolation can effectively extend the context window of existing embedding models by several folds, regardless of their original context being 512 or beyond 4k. Furthermore, for models employing absolute position encoding (APE), we show the possibility of further fine-tuning to harvest notable performance gains while strictly preserving original behavior for short inputs. For models using rotary position embedding (RoPE), significant enhancements are observed when employing RoPE-specific methods, such as NTK and SelfExtend, indicating RoPE's superiority over APE for context window extension. To facilitate future research, we release E5-Base-4k and E5-RoPE-Base, along with the LongEmbed benchmark.
Authors: Luise Ge, Daniel Halpern, Evi Micha, Ariel D. Procaccia, Itai Shapira, Yevgeniy Vorobeychik, Junlin Wu
Abstract: In the context of reinforcement learning from human feedback (RLHF), the reward function is generally derived from maximum likelihood estimation of a random utility model based on pairwise comparisons made by humans. The problem of learning a reward function is one of preference aggregation that, we argue, largely falls within the scope of social choice theory. From this perspective, we can evaluate different aggregation methods via established axioms, examining whether these methods meet or fail well-known standards. We demonstrate that both the Bradley-Terry-Luce Model and its broad generalizations fail to meet basic axioms. In response, we develop novel rules for learning reward functions with strong axiomatic guarantees. A key innovation from the standpoint of social choice is that our problem has a linear structure, which greatly restricts the space of feasible rules and leads to a new paradigm that we call linear social choice.
Authors: Jaewoo Lee, Sujin Yun, Taeyoung Yun, Jinkyoo Park
Abstract: Offline Reinforcement Learning (Offline RL) presents challenges of learning effective decision-making policies from static datasets without any online interactions. Data augmentation techniques, such as noise injection and data synthesizing, aim to improve Q-function approximation by smoothing the learned state-action region. However, these methods often fall short of directly improving the quality of offline datasets, leading to suboptimal results. In response, we introduce GTA, Generative Trajectory Augmentation, a novel generative data augmentation approach designed to enrich offline data by augmenting trajectories to be both high-rewarding and dynamically plausible. GTA applies a diffusion model within the data augmentation framework. GTA partially noises original trajectories and then denoises them with classifier-free guidance via conditioning on amplified return value. Our results show that GTA, as a general data augmentation strategy, enhances the performance of widely used offline RL algorithms across various tasks with unique challenges. Furthermore, we conduct a quality analysis of data augmented by GTA and demonstrate that GTA improves the quality of the data. Our code is available at https://github.com/Jaewoopudding/GTA
Authors: Nikita Tsoy, Nikola Konstantinov
Abstract: Simplicity bias, the propensity of deep models to over-rely on simple features, has been identified as a potential reason for limited out-of-distribution generalization of neural networks (Shah et al., 2020). Despite the important implications, this phenomenon has been theoretically confirmed and characterized only under strong dataset assumptions, such as linear separability (Lyu et al., 2021). In this work, we characterize simplicity bias for general datasets in the context of two-layer neural networks initialized with small weights and trained with gradient flow. Specifically, we prove that in the early training phases, network features cluster around a few directions that do not depend on the size of the hidden layer. Furthermore, for datasets with an XOR-like pattern, we precisely identify the learned features and demonstrate that simplicity bias intensifies during later training stages. These results indicate that features learned in the middle stages of training may be more useful for OOD transfer. We support this hypothesis with experiments on image data.
Authors: Markus Heinonen, Ba-Hien Tran, Michael Kampffmeyer, Maurizio Filippone
Abstract: Introducing training-time augmentations is a key technique to enhance generalization and prepare deep neural networks against test-time corruptions. Inspired by the success of generative diffusion models, we propose a novel approach of coupling data mollification, in the form of image noising and blurring, with label smoothing to align predicted label confidences with image degradation. The method is simple to implement, introduces negligible overheads, and can be combined with existing augmentations. We demonstrate improved robustness and uncertainty quantification on the corrupted image benchmarks of the CIFAR and TinyImageNet datasets.
Authors: Micha{\l} Koziarski, Andrei Rekesh, Dmytro Shevchuk, Almer van der Sloot, Piotr Gai\'nski, Yoshua Bengio, Cheng-Hao Liu, Mike Tyers, Robert A. Batey
Abstract: Generative models hold great promise for small molecule discovery, significantly increasing the size of search space compared to traditional in silico screening libraries. However, most existing machine learning methods for small molecule generation suffer from poor synthesizability of candidate compounds, making experimental validation difficult. In this paper we propose Reaction-GFlowNet (RGFN), an extension of the GFlowNet framework that operates directly in the space of chemical reactions, thereby allowing out-of-the-box synthesizability while maintaining comparable quality of generated candidates. We demonstrate that with the proposed set of reactions and building blocks, it is possible to obtain a search space of molecules orders of magnitude larger than existing screening libraries coupled with low cost of synthesis. We also show that the approach scales to very large fragment libraries, further increasing the number of potential molecules. We demonstrate the effectiveness of the proposed approach across a range of oracle models, including pretrained proxy models and GPU-accelerated docking.
Authors: Xingchen Wan, Ruoxi Sun, Hootan Nakhost, Sercan O. Arik
Abstract: Large language models have demonstrated remarkable capabilities, but their performance is heavily reliant on effective prompt engineering. Automatic prompt optimization (APO) methods are designed to automate this and can be broadly categorized into those targeting instructions (instruction optimization, IO) vs. those targeting exemplars (exemplar optimization, EO). Despite their shared objective, these have evolved rather independently, with IO receiving more research attention recently. This paper seeks to bridge this gap by comprehensively comparing the performance of representative IO and EO techniques both isolation and combination on a diverse set of challenging tasks. Our findings reveal that intelligently reusing model-generated input-output pairs obtained from evaluating prompts on the validation set as exemplars, consistently improves performance on top of IO methods but is currently under-investigated. We also find that despite the recent focus on IO, how we select exemplars can outweigh how we optimize instructions, with EO strategies as simple as random search outperforming state-of-the-art IO methods with seed instructions without any optimization. Moreover, we observe a synergy between EO and IO, with optimal combinations surpassing the individual contributions. We conclude that studying exemplar optimization both as a standalone method and its optimal combination with instruction optimization remain a crucial aspect of APO and deserve greater consideration in future research, even in the era of highly capable instruction-following models.
Authors: Yuwei Zhang, Tong Xia, Jing Han, Yu Wu, Georgios Rizos, Yang Liu, Mohammed Mosuily, Jagmohan Chauhan, Cecilia Mascolo
Abstract: Respiratory audio, such as coughing and breathing sounds, has predictive power for a wide range of healthcare applications, yet is currently under-explored. The main problem for those applications arises from the difficulty in collecting large labeled task-specific data for model development. Generalizable respiratory acoustic foundation models pretrained with unlabeled data would offer appealing advantages and possibly unlock this impasse. However, given the safety-critical nature of healthcare applications, it is pivotal to also ensure openness and replicability for any proposed foundation model solution. To this end, we introduce OPERA, an OPEn Respiratory Acoustic foundation model pretraining and benchmarking system, as the first approach answering this need. We curate large-scale respiratory audio datasets (~136K samples, over 400 hours), pretrain three pioneering foundation models, and build a benchmark consisting of 19 downstream respiratory health tasks for evaluation. Our pretrained models demonstrate superior performance (against existing acoustic models pretrained with general audio on 16 out of 19 tasks) and generalizability (to unseen datasets and new respiratory audio modalities). This highlights the great promise of respiratory acoustic foundation models and encourages more studies using OPERA as an open resource to accelerate research on respiratory audio for health. The system is accessible from https://github.com/evelyn0414/OPERA.
Authors: Stefan Gl\"uge, Matthias Nyfeler, Ahmad Aghaebrahimian, Nicola Ramagnano, Christof Sch\"upbach
Abstract: The proliferation of drones, or unmanned aerial vehicles (UAVs), has raised significant safety concerns due to their potential misuse in activities such as espionage, smuggling, and infrastructure disruption. This paper addresses the critical need for effective drone detection and classification systems that operate independently of UAV cooperation. We evaluate various convolutional neural networks (CNNs) for their ability to detect and classify drones using spectrogram data derived from consecutive Fourier transforms of signal components. The focus is on model robustness in low signal-to-noise ratio (SNR) environments, which is critical for real-world applications. A comprehensive dataset is provided to support future model development. In addition, we demonstrate a low-cost drone detection system using a standard computer, software-defined radio (SDR) and antenna, validated through real-world field testing. On our development dataset, all models consistently achieved an average balanced classification accuracy of >= 85% at SNR > -12dB. In the field test, these models achieved an average balance accuracy of > 80%, depending on transmitter distance and antenna direction. Our contributions include: a publicly available dataset for model development, a comparative analysis of CNN for drone detection under low SNR conditions, and the deployment and field evaluation of a practical, low-cost detection system.
Authors: Catarina G Belem, Markelle Kelly, Mark Steyvers, Sameer Singh, Padhraic Smyth
Abstract: _Uncertainty expressions_ such as "probably" or "highly unlikely" are pervasive in human language. While prior work has established that there is population-level agreement in terms of how humans quantitatively interpret these expressions, there has been little inquiry into the abilities of language models in the same context. In this paper, we investigate how language models map linguistic expressions of uncertainty to numerical responses. Our approach assesses whether language models can employ theory of mind in this setting: understanding the uncertainty of another agent about a particular statement, independently of the model's own certainty about that statement. We find that 7 out of 10 models are able to map uncertainty expressions to probabilistic responses in a human-like manner. However, we observe systematically different behavior depending on whether a statement is actually true or false. This sensitivity indicates that language models are substantially more susceptible to bias based on their prior knowledge (as compared to humans). These findings raise important questions and have broad implications for human-AI and AI-AI communication.
Authors: Abhi Kamboj, Anh Duy Nguyen, Minh Do
Abstract: In order to unlock the potential of diverse sensors, we investigate a method to transfer knowledge between modalities using the structure of a unified multimodal representation space for Human Action Recognition (HAR). We formalize and explore an understudied cross-modal transfer setting we term Unsupervised Modality Adaptation (UMA), where the modality used in testing is not used in supervised training, i.e. zero labeled instances of the test modality are available during training. We develop three methods to perform UMA: Student-Teacher (ST), Contrastive Alignment (CA), and Cross-modal Transfer Through Time (C3T). Our extensive experiments on various camera+IMU datasets compare these methods to each other in the UMA setting, and to their empirical upper bound in the supervised setting. The results indicate C3T is the most robust and highest performing by at least a margin of 8%, and nears the supervised setting performance even in the presence of temporal noise. This method introduces a novel mechanism for aligning signals across time-varying latent vectors, extracted from the receptive field of temporal convolutions. Our findings suggest that C3T has significant potential for developing generalizable models for time-series sensor data, opening new avenues for multi-modal learning in various applications.
Authors: Zhe Su, Yiying Tong, Guo-Wei Wei
Abstract: Recently, topological data analysis has become a trending topic in data science and engineering. However, the key technique of topological data analysis, i.e., persistent homology, is defined on point cloud data, which does not work directly for data on manifolds. Although earlier evolutionary de Rham-Hodge theory deals with data on manifolds, it is inconvenient for machine learning applications because of the numerical inconsistency caused by remeshing the involving manifolds in the Lagrangian representation. In this work, we introduce persistent de Rham-Hodge Laplacian, or persistent Hodge Laplacian (PHL) as an abbreviation, for manifold topological learning. Our PHLs are constructed in the Eulerian representation via structure-persevering Cartesian grids, avoiding the numerical inconsistency over the multiscale manifolds. To facilitate the manifold topological learning, we propose a persistent Hodge Laplacian learning algorithm for data on manifolds or volumetric data. As a proof-of-principle application of the proposed manifold topological learning model, we consider the prediction of protein-ligand binding affinities with two benchmark datasets. Our numerical experiments highlight the power and promise of the proposed method.
Authors: Yuanchen Wu, Yubai Yuan
Abstract: We consider the problem of active learning on graphs, which has crucial applications in many real-world networks where labeling node responses is expensive. In this paper, we propose an offline active learning method that selects nodes to query by explicitly incorporating information from both the network structure and node covariates. Building on graph signal recovery theories and the random spectral sparsification technique, the proposed method adopts a two-stage biased sampling strategy that takes both informativeness and representativeness into consideration for node querying. Informativeness refers to the complexity of graph signals that are learnable from the responses of queried nodes, while representativeness refers to the capacity of queried nodes to control generalization errors given noisy node-level information. We establish a theoretical relationship between generalization error and the number of nodes selected by the proposed method. Our theoretical results demonstrate the trade-off between informativeness and representativeness in active learning. Extensive numerical experiments show that the proposed method is competitive with existing graph-based active learning methods, especially when node covariates and responses contain noises. Additionally, the proposed method is applicable to both regression and classification tasks on graphs.
Authors: Jin Yi Yong, Rudy Geelen, Johann Guilleminot
Abstract: This paper presents a probabilistic approach to represent and quantify model-form uncertainties in the reduced-order modeling of complex systems using operator inference techniques. Such uncertainties can arise in the selection of an appropriate state-space representation, in the projection step that underlies many reduced-order modeling methods, or as a byproduct of considerations made during training, to name a few. Following previous works in the literature, the proposed method captures these uncertainties by expanding the approximation space through the randomization of the projection matrix. This is achieved by combining Riemannian projection and retraction operators - acting on a subset of the Stiefel manifold - with an information-theoretic formulation. The efficacy of the approach is assessed on canonical problems in fluid mechanics by identifying and quantifying the impact of model-form uncertainties on the inferred operators.
Authors: Allen Z. Ren, Justin Lidard, Lars L. Ankile, Anthony Simeonov, Pulkit Agrawal, Anirudha Majumdar, Benjamin Burchfiel, Hongkai Dai, Max Simchowitz
Abstract: We introduce Diffusion Policy Policy Optimization, DPPO, an algorithmic framework including best practices for fine-tuning diffusion-based policies (e.g. Diffusion Policy) in continuous control and robot learning tasks using the policy gradient (PG) method from reinforcement learning (RL). PG methods are ubiquitous in training RL policies with other policy parameterizations; nevertheless, they had been conjectured to be less efficient for diffusion-based policies. Surprisingly, we show that DPPO achieves the strongest overall performance and efficiency for fine-tuning in common benchmarks compared to other RL methods for diffusion-based policies and also compared to PG fine-tuning of other policy parameterizations. Through experimental investigation, we find that DPPO takes advantage of unique synergies between RL fine-tuning and the diffusion parameterization, leading to structured and on-manifold exploration, stable training, and strong policy robustness. We further demonstrate the strengths of DPPO in a range of realistic settings, including simulated robotic tasks with pixel observations, and via zero-shot deployment of simulation-trained policies on robot hardware in a long-horizon, multi-stage manipulation task. Website with code: diffusion-ppo.github.io
Authors: Alfredo Ibias, Hector Antona, Guillem Ramirez-Miranda, Enric Guinovart, Eduard Alarcon
Abstract: Unsupervised learning methods have a soft inspiration in cognition models. To this day, the most successful unsupervised learning methods revolve around clustering samples in a mathematical space. In this paper we propose a state-of-the-art, primitive-based, unsupervised learning approach for decision-making inspired by a novel cognition framework. This representation-centric approach models the input space constructively as a distributed hierarchical structure in an input-agnostic way. We compared our approach with both current state-of-the-art unsupervised learning classification, and with current state-of-the-art cancer type classification. We show how our proposal outperforms previous state-of-the-art. We also evaluate some cognition-like properties of our proposal where it not only outperforms the compared algorithms (even supervised learning ones), but it also shows a different, more cognition-like, behaviour.
Authors: Ziyu Wang, Hao Li, Di Huang, Amir M. Rahmani
Abstract: In digital healthcare, large language models (LLMs) have primarily been utilized to enhance question-answering capabilities and improve patient interactions. However, effective patient care necessitates LLM chains that can actively gather information by posing relevant questions. This paper presents HealthQ, a novel framework designed to evaluate the questioning capabilities of LLM healthcare chains. We implemented several LLM chains, including Retrieval-Augmented Generation (RAG), Chain of Thought (CoT), and reflective chains, and introduced an LLM judge to assess the relevance and informativeness of the generated questions. To validate HealthQ, we employed traditional Natural Language Processing (NLP) metrics such as Recall-Oriented Understudy for Gisting Evaluation (ROUGE) and Named Entity Recognition (NER)-based set comparison, and constructed two custom datasets from public medical note datasets, ChatDoctor and MTS-Dialog. Our contributions are threefold: we provide the first comprehensive study on the questioning capabilities of LLMs in healthcare conversations, develop a novel dataset generation pipeline, and propose a detailed evaluation methodology.
Authors: Barak Gahtan, Robert J. Shahla, Alex M. Bronstein, Reuven Cohen
Abstract: QUIC, a new and increasingly used transport protocol, addresses and resolves the limitations of TCP by offering improved security, performance, and features such as stream multiplexing and connection migration. These features, however, also present challenges for network operators who need to monitor and analyze web traffic. In this paper, we introduce VisQUIC, a labeled dataset comprising over 100,000 QUIC traces from more than 44,000 websites (URLs), collected over a four-month period. These traces provide the foundation for generating more than seven million images, with configurable parameters of window length, pixel resolution, normalization, and labels. These images enable an observer looking at the interactions between a client and a server to analyze and gain insights about QUIC encrypted connections. To illustrate the dataset's potential, we offer a use-case example of an observer estimating the number of HTTP/3 responses/requests pairs in a given QUIC, which can reveal server behavior, client--server interactions, and the load imposed by an observed connection. We formulate the problem as a discrete regression problem, train a machine learning (ML) model for it, and then evaluate it using the proposed dataset on an example use case.
Authors: Alice Oh, Inyoung Noh, Jian Choo, Jihoo Lee, Justin Park, Kate Hwang, Sanghyeon Kim, Soo Min Oh
Abstract: Brain tumor detection and classification are critical tasks in medical image analysis, particularly in early-stage diagnosis, where accurate and timely detection can significantly improve treatment outcomes. In this study, we apply various statistical and machine learning models to detect and classify brain tumors using brain MRI images. We explore a variety of statistical models including linear, logistic, and Bayesian regressions, and the machine learning models including decision tree, random forest, single-layer perceptron, multi-layer perceptron, convolutional neural network (CNN), recurrent neural network, and long short-term memory. Our findings show that CNN outperforms other models, achieving the best performance. Additionally, we confirm that the CNN model can also work for multi-class classification, distinguishing between four categories of brain MRI images such as normal, glioma, meningioma, and pituitary tumor images. This study demonstrates that machine learning approaches are suitable for brain tumor detection and classification, facilitating real-world medical applications in assisting radiologists with early and accurate diagnosis.
Authors: Fedor S. Avilov, Roman A. Eremin, Semen A. Budennyy, Innokentiy S. Humonen
Abstract: Despite an artificial intelligence-assisted modeling of disordered crystals is a widely used and well-tried method of new materials design, the issues of its robustness, reliability, and stability are still not resolved and even not discussed enough. To highlight it, in this work we composed a series of nested intermetallic approximants of quasicrystals datasets and trained various machine learning models on them correspondingly. Our qualitative and, what is more important, quantitative assessment of the difference in the predictions clearly shows that different reasonable changes in the training sample can lead to the completely different set of the predicted potentially new materials. We also showed the advantage of pre-training and proposed a simple yet effective trick of sequential training to increase stability.
Authors: Wei Xie, Shuoyoucheng Ma, Zhenhua Wang, Enze Wang, Kai Chen, Xiaobing Sun, Baosheng Wang
Abstract: Despite their proficiency in math tasks, the mechanisms underlying LLMs' mathematical reasoning abilities remain a subject of debate. Recent studies suggest that chain-of-thought (CoT) prompts can bolster mathematical reasoning by encouraging LLMs to employ human-like logical reasoning (System 2), enabling them to excel on the Cognitive Reflection Test (CRT). To assess whether LLMs genuinely possess System 2-like logical reasoning, we introduced targeted modifications to CRT problems. Our findings reveal that, despite the use of CoT prompts, mainstream LLMs, including the latest o1-preview model, continue to exhibit a significant error rate. Further analysis indicates that they predominantly rely on System 1-like intuitive reasoning and pattern matching derived from training data, rather than demonstrating mastery of mathematical thinking. This discovery challenges the prevailing notion that LLMs possess genuine logical reasoning abilities and that CoT can enhance them. Consequently, this work may temper overly optimistic projections regarding LLMs' advancement toward artificial general intelligence.
Authors: Yehe Liu, Alexander Krull, Hector Basevi, Ales Leonardis, Michael W. Jenkins
Abstract: Quanta image sensors, such as SPAD arrays, are an emerging sensor technology, producing 1-bit arrays representing photon detection events over exposures as short as a few nanoseconds. In practice, raw data are post-processed using heavy spatiotemporal binning to create more useful and interpretable images at the cost of degrading spatiotemporal resolution. In this work, we propose bit2bit, a new method for reconstructing high-quality image stacks at the original spatiotemporal resolution from sparse binary quanta image data. Inspired by recent work on Poisson denoising, we developed an algorithm that creates a dense image sequence from sparse binary photon data by predicting the photon arrival location probability distribution. However, due to the binary nature of the data, we show that the assumption of a Poisson distribution is inadequate. Instead, we model the process with a Bernoulli lattice process from the truncated Poisson. This leads to the proposal of a novel self-supervised solution based on a masked loss function. We evaluate our method using both simulated and real data. On simulated data from a conventional video, we achieve 34.35 mean PSNR with extremely photon-sparse binary input (<0.06 photons per pixel per frame). We also present a novel dataset containing a wide range of real SPAD high-speed videos under various challenging imaging conditions. The scenes cover strong/weak ambient light, strong motion, ultra-fast events, etc., which will be made available to the community, on which we demonstrate the promise of our approach. Both reconstruction quality and throughput substantially surpass the state-of-the-art methods (e.g., Quanta Burst Photography (QBP)). Our approach significantly enhances the visualization and usability of the data, enabling the application of existing analysis techniques.
Authors: Kien X. Nguyen, Fengchun Qiao, Arthur Trembanis, Xi Peng
Abstract: A major obstacle to the advancements of machine learning models in marine science, particularly in sonar imagery analysis, is the scarcity of AI-ready datasets. While there have been efforts to make AI-ready sonar image dataset publicly available, they suffer from limitations in terms of environment setting and scale. To bridge this gap, we introduce SeafloorAI, the first extensive AI-ready datasets for seafloor mapping across 5 geological layers that is curated in collaboration with marine scientists. We further extend the dataset to SeafloorGenAI by incorporating the language component in order to facilitate the development of both vision- and language-capable machine learning models for sonar imagery. The dataset consists of 62 geo-distributed data surveys spanning 17,300 square kilometers, with 696K sonar images, 827K annotated segmentation masks, 696K detailed language descriptions and approximately 7M question-answer pairs. By making our data processing source code publicly available, we aim to engage the marine science community to enrich the data pool and inspire the machine learning community to develop more robust models. This collaborative approach will enhance the capabilities and applications of our datasets within both fields.
Authors: Sam Blouir, Jimmy T. H. Smith, Antonios Anastasopoulos, Amarda Shehu
Abstract: Efficient state space models (SSMs), such as linear recurrent neural networks and linear attention variants, offer computational advantages over Transformers but struggle with tasks requiring long-range in-context retrieval-like text copying, associative recall, and question answering over long contexts. Previous efforts to address these challenges have focused on architectural modifications, often reintroducing computational inefficiencies. In this paper, we propose a novel training procedure, Birdie, that significantly enhances the in-context retrieval capabilities of SSMs without altering their architecture. Our approach combines bidirectional input processing with dynamic mixtures of specialized pre-training objectives, optimized via reinforcement learning. We introduce a new bidirectional SSM architecture that seamlessly transitions from bidirectional context processing to causal generation. Experimental evaluations demonstrate that Birdie markedly improves performance on retrieval-intensive tasks such as multi-number phone book lookup, long paragraph question-answering, and infilling. This narrows the performance gap with Transformers, while retaining computational efficiency. Our findings highlight the importance of training procedures in leveraging the fixed-state capacity of SSMs, offering a new direction to advance their capabilities. All code and pre-trained models are available at https://www.github.com/samblouir/birdie, with support for JAX and PyTorch.
Authors: Pham Q. Viet, Daniel Romero
Abstract: Radio map estimation (RME) involves spatial interpolation of radio measurements to predict metrics such as the received signal strength at locations where no measurements were collected. The most popular estimators nowadays project the measurement locations to a regular grid and complete the resulting measurement tensor with a convolutional deep neural network. Unfortunately, these approaches suffer from poor spatial resolution and require a great number of parameters. The first contribution of this paper addresses these limitations by means of an attention-based estimator named Spatial TransfOrmer for Radio Map estimation (STORM). This scheme not only outperforms the existing estimators, but also exhibits lower computational complexity, translation equivariance, rotation equivariance, and full spatial resolution. The second contribution is an extended transformer architecture that allows STORM to perform active sensing, by which the next measurement location is selected based on the previous measurements. This is particularly useful for minimization of drive tests (MDT) in cellular networks, where operators request user equipment to collect measurements. Finally, STORM is extensively validated by experiments with one ray-tracing and two real-measurement datasets.
Authors: Beomseok Kang, Priyabrata Saha, Sudarshan Sharma, Biswadeep Chakraborty, Saibal Mukhopadhyay
Abstract: We introduce a novel framework, Online Relational Inference (ORI), designed to efficiently identify hidden interaction graphs in evolving multi-agent interacting systems using streaming data. Unlike traditional offline methods that rely on a fixed training set, ORI employs online backpropagation, updating the model with each new data point, thereby allowing it to adapt to changing environments in real-time. A key innovation is the use of an adjacency matrix as a trainable parameter, optimized through a new adaptive learning rate technique called AdaRelation, which adjusts based on the historical sensitivity of the decoder to changes in the interaction graph. Additionally, a data augmentation method named Trajectory Mirror (TM) is introduced to improve generalization by exposing the model to varied trajectory patterns. Experimental results on both synthetic datasets and real-world data (CMU MoCap for human motion) demonstrate that ORI significantly improves the accuracy and adaptability of relational inference in dynamic settings compared to existing methods. This approach is model-agnostic, enabling seamless integration with various neural relational inference (NRI) architectures, and offers a robust solution for real-time applications in complex, evolving systems.
Authors: Idris Zakariyya, Linda Tran, Kaushik Bhargav Sivangi, Paul Henderson, Fani Deligianni
Abstract: Human motion analysis offers significant potential for healthcare monitoring and early detection of diseases. The advent of radar-based sensing systems has captured the spotlight for they are able to operate without physical contact and they can integrate with pre-existing Wi-Fi networks. They are also seen as less privacy-invasive compared to camera-based systems. However, recent research has shown high accuracy in recognizing subjects or gender from radar gait patterns, raising privacy concerns. This study addresses these issues by investigating privacy vulnerabilities in radar-based Human Activity Recognition (HAR) systems and proposing a novel method for privacy preservation using Differential Privacy (DP) driven by attributions derived with Integrated Decision Gradient (IDG) algorithm. We investigate Black-box Membership Inference Attack (MIA) Models in HAR settings across various levels of attacker-accessible information. We extensively evaluated the effectiveness of the proposed IDG-DP method by designing a CNN-based HAR model and rigorously assessing its resilience against MIAs. Experimental results demonstrate the potential of IDG-DP in mitigating privacy attacks while maintaining utility across all settings, particularly excelling against label-only and shadow model black-box MIA attacks. This work represents a crucial step towards balancing the need for effective radar-based HAR with robust privacy protection in healthcare environments.
Authors: Vivek Myers, Evan Ellis, Sergey Levine, Benjamin Eysenbach, Anca Dragan
Abstract: Assistive agents should make humans' lives easier. Classically, such assistance is studied through the lens of inverse reinforcement learning, where an assistive agent (e.g., a chatbot, a robot) infers a human's intention and then selects actions to help the human reach that goal. This approach requires inferring intentions, which can be difficult in high-dimensional settings. We build upon prior work that studies assistance through the lens of empowerment: an assistive agent aims to maximize the influence of the human's actions such that they exert a greater control over the environmental outcomes and can solve tasks in fewer steps. We lift the major limitation of prior work in this area--scalability to high-dimensional settings--with contrastive successor representations. We formally prove that these representations estimate a similar notion of empowerment to that studied by prior work and provide a ready-made mechanism for optimizing it. Empirically, our proposed method outperforms prior methods on synthetic benchmarks, and scales to Overcooked, a cooperative game setting. Theoretically, our work connects ideas from information theory, neuroscience, and reinforcement learning, and charts a path for representations to play a critical role in solving assistive problems.
Authors: Luis Enriquez
Abstract: What if the main data protection vulnerability is risk management? Data Protection merges three disciplines: data protection law, information security, and risk management. Nonetheless, very little research has been made on the field of data protection risk management, where subjectivity and superficiality are the dominant state of the art. Since the GDPR tells you what to do, but not how to do it, the solution for approaching GDPR compliance is still a gray zone, where the trend is using the rule of thumb. Considering that the most important goal of risk management is to reduce uncertainty in order to take informed decisions, risk management for the protection of the rights and freedoms of the data subjects cannot be disconnected from the impact materialization that data controllers and processors need to assess. This paper proposes a quantitative approach to data protection risk-based compliance from a data controllers perspective, with the aim of proposing a mindset change, where data protection impact assessments can be improved by using data protection analytics, quantitative risk analysis, and calibrating expert opinions.
Authors: Langalibalele Lunga, Suhas Sreehari
Abstract: Machine learning models are prone to adversarial attacks, where inputs can be manipulated in order to cause misclassifications. While previous research has focused on techniques like Generative Adversarial Networks (GANs), there's limited exploration of GANs and Synthetic Minority Oversampling Technique (SMOTE) in text and image classification models to perform adversarial attacks. Our study addresses this gap by training various machine learning models and using GANs and SMOTE to generate additional data points aimed at attacking text classification models. Furthermore, we extend our investigation to face recognition models, training a Convolutional Neural Network(CNN) and subjecting it to adversarial attacks with fast gradient sign perturbations on key features identified by GradCAM, a technique used to highlight key image characteristics CNNs use in classification. Our experiments reveal a significant vulnerability in classification models. Specifically, we observe a 20 % decrease in accuracy for the top-performing text classification models post-attack, along with a 30 % decrease in facial recognition accuracy. This highlights the susceptibility of these models to manipulation of input data. Adversarial attacks not only compromise the security but also undermine the reliability of machine learning systems. By showcasing the impact of adversarial attacks on both text classification and face recognition models, our study underscores the urgent need for develop robust defenses against such vulnerabilities.
Authors: Qiuyu Liang, Weihua Wang, Feilong Bao, Guanglai Gao
Abstract: Hyperbolic rotation is commonly used to effectively model knowledge graphs and their inherent hierarchies. However, existing hyperbolic rotation models rely on logarithmic and exponential mappings for feature transformation. These models only project data features into hyperbolic space for rotation, limiting their ability to fully exploit the hyperbolic space. To address this problem, we propose a novel fully hyperbolic model designed for knowledge graph embedding. Instead of feature mappings, we define the model directly in hyperbolic space with the Lorentz model. Our model considers each relation in knowledge graphs as a Lorentz rotation from the head entity to the tail entity. We adopt the Lorentzian version distance as the scoring function for measuring the plausibility of triplets. Extensive results on standard knowledge graph completion benchmarks demonstrated that our model achieves competitive results with fewer parameters. In addition, our model get the state-of-the-art performance on datasets of CoDEx-s and CoDEx-m, which are more diverse and challenging than before. Our code is available at https://github.com/llqy123/FHRE.
Authors: Laura Cabello, Carmen Martin-Turrero, Uchenna Akujuobi, Anders S{\o}gaard, Carlos Bobed
Abstract: Question answering is a natural language understanding task that involves reasoning over both explicit context and unstated, relevant domain knowledge. Large language models (LLMs), which underpin most contemporary question answering systems, struggle to induce how concepts relate in specialized domains such as medicine. Existing medical LLMs are also costly to train. In this work, we present MEG, a parameter-efficient approach for medical knowledge-augmented LLMs. MEG uses a lightweight mapping network to integrate graph embeddings into the LLM, enabling it to leverage external knowledge in a cost-effective way. We evaluate our method on four popular medical multiple-choice datasets and show that LLMs greatly benefit from the factual grounding provided by knowledge graph embeddings. MEG attains an average of +10.2% accuracy over the Mistral-Instruct baseline, and +6.7% over specialized models like BioMistral. We also show results based on Llama-3. Finally, we show that MEG's performance remains robust to the choice of graph encoder.