Sentiment Analysis of Twitter Posts on Global Conflicts. (arXiv:2312.03715v1 [cs.CL])

Authors: Ujwal Sasikumar, Ank Zaman, Abdul-Rahman Mawlood-Yunis, Prosenjit Chatterjee

Sentiment analysis of social media data is an emerging field with vast applications in various domains. In this study, we developed a sentiment analysis model to analyze social media sentiment, especially tweets, during global conflicting scenarios. To establish our research experiment, we identified a recent global dispute incident on Twitter and collected around 31,000 filtered Tweets for several months to analyze human sentiment worldwide.

Leveraging AI-derived Data for Carbon Accounting: Information Extraction from Alternative Sources. (arXiv:2312.03722v1 [cs.CL])

Authors: Olamide Oladeji, Seyed Shahabeddin Mousavi

Carbon accounting is a fundamental building block in our global path to emissions reduction and decarbonization, yet many challenges exist in achieving reliable and trusted carbon accounting measures. We motivate that carbon accounting not only needs to be more data-driven, but also more methodologically sound. We discuss the need for alternative, more diverse data sources that can play a significant role on our path to trusted carbon accounting procedures and elaborate on not only why, but how Artificial Intelligence (AI) in general and Natural Language Processing (NLP) in particular can unlock reasonable access to a treasure trove of alternative data sets in light of the recent advances in the field that better enable the utilization of unstructured data in this process. We present a case study of the recent developments on real-world data via an NLP-powered analysis using OpenAI's GPT API on financial and shipping data. We conclude the paper with a discussion on how these methods and approaches can be integrated into a broader framework for AI-enabled integrative carbon accounting.

ChatGPT Application In Summarizing An Evolution Of Deep Learning Techniques In Imaging: A Qualitative Study. (arXiv:2312.03723v1 [cs.CL])

Authors: Arman Sarraf, Amirabbas Abbaspour

The pursuit of article or text summarization has captured the attention of natural language processing (NLP) practitioners, presenting itself as a formidable challenge. ChatGPT 3.5 exhibits the capacity to condense the content of up to 3000 tokens into a single page, aiming to retain pivotal information from a given text across diverse themes. In a conducted qualitative research endeavor, we selected seven scientific articles and employed the publicly available ChatGPT service to generate summaries of these articles. Subsequently, we engaged six co-authors of the articles in a survey, presenting five questions to evaluate the quality of the summaries compared to the original content. The findings revealed that the summaries produced by ChatGPT effectively encapsulated the crucial information present in the articles, preserving the principal message of each manuscript. Nonetheless, there was a slight diminishment in the technical depth of the summaries as opposed to the original articles. As a result, our conclusion underscores ChatGPT's text summarization capability as a potent tool for extracting essential insights in a manner more aligned with reporting than purely scientific discourse.

SCStory: Self-supervised and Continual Online Story Discovery. (arXiv:2312.03725v1 [cs.CL])

Authors: Susik Yoon, Yu Meng, Dongha Lee, Jiawei Han

We present a framework SCStory for online story discovery, that helps people digest rapidly published news article streams in real-time without human annotations. To organize news article streams into stories, existing approaches directly encode the articles and cluster them based on representation similarity. However, these methods yield noisy and inaccurate story discovery results because the generic article embeddings do not effectively reflect the story-indicative semantics in an article and cannot adapt to the rapidly evolving news article streams. SCStory employs self-supervised and continual learning with a novel idea of story-indicative adaptive modeling of news article streams. With a lightweight hierarchical embedding module that first learns sentence representations and then article representations, SCStory identifies story-relevant information of news articles and uses them to discover stories. The embedding module is continuously updated to adapt to evolving news streams with a contrastive learning objective, backed up by two unique techniques, confidence-aware memory replay and prioritized-augmentation, employed for label absence and data scarcity problems. Thorough experiments on real and the latest news data sets demonstrate that SCStory outperforms existing state-of-the-art algorithms for unsupervised online story discovery.

MultiGPrompt for Multi-Task Pre-Training and Prompting on Graphs. (arXiv:2312.03731v1 [cs.CL])

Authors: Xingtong Yu, Chang Zhou, Yuan Fang, Xinming Zhang

Graphs can inherently model interconnected objects on the Web, thereby facilitating a series of Web applications, such as web analyzing and content recommendation. Recently, Graph Neural Networks (GNNs) have emerged as a mainstream technique for graph representation learning. However, their efficacy within an end-to-end supervised framework is significantly tied to the availabilityof task-specific labels. To mitigate labeling costs and enhance robustness in few-shot settings, pre-training on self-supervised tasks has emerged as a promising method, while prompting has been proposed to further narrow the objective gap between pretext and downstream tasks. Although there has been some initial exploration of prompt-based learning on graphs, they primarily leverage a single pretext task, resulting in a limited subset of general knowledge that could be learned from the pre-training data. Hence, in this paper, we propose MultiGPrompt, a novel multi-task pre-training and prompting framework to exploit multiple pretext tasks for more comprehensive pre-trained knowledge. First, in pre-training, we design a set of pretext tokens to synergize multiple pretext tasks. Second, we propose a dual-prompt mechanism consisting of composed and open prompts to leverage task-specific and global pre-training knowledge, to guide downstream tasks in few-shot settings. Finally, we conduct extensive experiments on six public datasets to evaluate and analyze MultiGPrompt.

A Rank Stabilization Scaling Factor for Fine-Tuning with LoRA. (arXiv:2312.03732v1 [cs.CL])

Authors: Damjan Kalajdzievski

As large language models (LLMs) have become increasingly compute and memory intensive, parameter-efficient fine-tuning (PEFT) methods are now a common strategy to fine-tune LLMs. A popular PEFT method is Low-Rank Adapters (LoRA), which adds trainable low-rank "adapters" to selected layers. Each adapter consists of a low-rank matrix product, multiplicatively scaled by a rank-dependent factor. This scaling factor, which divides adapters by a factor of the rank, results in slowed learning and stunted performance for LoRA with higher-rank adapters. Consequently, the use of LoRA in practice has generally been limited to very low ranks. In this work, we study the impact of the scaling factor on the learning process and prove that LoRA adapters should be divided by a factor of the square root of the rank. Modifying LoRA with the appropriate scaling factor, which we call the rank-stabilized LoRA (rsLoRA) method, easily provides for a fine-tuning compute/performance trade-off, where larger ranks can be used to trade off increased computational resources during training for better fine-tuning performance, with no change in inference computing cost.

De-identification of clinical free text using natural language processing: A systematic review of current approaches. (arXiv:2312.03736v1 [cs.CL])

Authors: Aleksandar Kovačević, Bojana Bašaragin, Nikola Milošević, Goran Nenadić

Background: Electronic health records (EHRs) are a valuable resource for data-driven medical research. However, the presence of protected health information (PHI) makes EHRs unsuitable to be shared for research purposes. De-identification, i.e. the process of removing PHI is a critical step in making EHR data accessible. Natural language processing has repeatedly demonstrated its feasibility in automating the de-identification process. Objectives: Our study aims to provide systematic evidence on how the de-identification of clinical free text has evolved in the last thirteen years, and to report on the performances and limitations of the current state-of-the-art systems. In addition, we aim to identify challenges and potential research opportunities in this field. Methods: A systematic search in PubMed, Web of Science and the DBLP was conducted for studies published between January 2010 and February 2023. Titles and abstracts were examined to identify the relevant studies. Selected studies were then analysed in-depth, and information was collected on de-identification methodologies, data sources, and measured performance. Results: A total of 2125 publications were identified for the title and abstract screening. 69 studies were found to be relevant. Machine learning (37 studies) and hybrid (26 studies) approaches are predominant, while six studies relied only on rules. Majority of the approaches were trained and evaluated on public corpora. The 2014 i2b2/UTHealth corpus is the most frequently used (36 studies), followed by the 2006 i2b2 (18 studies) and 2016 CEGS N-GRID (10 studies) corpora.

Clinical Risk Prediction Using Language Models: Benefits And Considerations. (arXiv:2312.03742v1 [cs.CL])

Authors: Angeela Acharya, Sulabh Shrestha, Anyi Chen, Joseph Conte, Sanja Avramovic, Siddhartha Sikdar, Antonios Anastasopoulos, Sanmay Das

The utilization of Electronic Health Records (EHRs) for clinical risk prediction is on the rise. However, strict privacy regulations limit access to comprehensive health records, making it challenging to apply standard machine learning algorithms in practical real-world scenarios. Previous research has addressed this data limitation by incorporating medical ontologies and employing transfer learning methods. In this study, we investigate the potential of leveraging language models (LMs) as a means to incorporate supplementary domain knowledge for improving the performance of various EHR-based risk prediction tasks. Unlike applying LMs to unstructured EHR data such as clinical notes, this study focuses on using textual descriptions within structured EHR to make predictions exclusively based on that information. We extensively compare against previous approaches across various data types and sizes. We find that employing LMs to represent structured EHRs, such as diagnostic histories, leads to improved or at least comparable performance in diverse risk prediction tasks. Furthermore, LM-based approaches offer numerous advantages, including few-shot learning, the capability to handle previously unseen medical concepts, and adaptability to various medical vocabularies. Nevertheless, we underscore, through various experiments, the importance of being cautious when employing such models, as concerns regarding the reliability of LMs persist.

Easy Data Augmentation in Sentiment Analysis of Cyberbullying. (arXiv:2312.03743v1 [cs.CL])

Authors: Alwan Wirawan, Hasan Dwi Cahyono, Winarno

Instagram, a social media platform, has in the vicinity of 2 billion active users in 2023. The platform allows users to post photos and videos with one another. However, cyberbullying remains a significant problem for about 50% of young Indonesians. To address this issue, sentiment analysis for comment filtering uses a Support Vector Machine (SVM) and Easy Data Augmentation (EDA). EDA will augment the dataset, enabling robust prediction and analysis of cyberbullying by introducing more variation. Based on the tests, SVM combination with EDA results in a 2.52% increase in the k-Fold Cross Validation score. Our proposed approach shows an improved accuracy of 92.5%, 2.5% higher than that of the existing state-of-the-art method. To maintain the reproducibility and replicability of this research, the source code can be accessed at uns.id/eda_svm.

Evaluating Large Language Model Creativity from a Literary Perspective. (arXiv:2312.03746v1 [cs.CL])

Authors: Murray Shanahan, Catherine Clarke

This paper assesses the potential for large language models (LLMs) to serve as assistive tools in the creative writing process, by means of a single, in-depth case study. In the course of the study, we develop interactive and multi-voice prompting strategies that interleave background descriptions (scene setting, plot elements), instructions that guide composition, samples of text in the target style, and critical discussion of the given samples. We qualitatively evaluate the results from a literary critical perspective, as well as from the standpoint of computational creativity (a sub-field of artificial intelligence). Our findings lend support to the view that the sophistication of the results that can be achieved with an LLM mirrors the sophistication of the prompting.

Classifying patient voice in social media data using neural networks: A comparison of AI models on different data sources and therapeutic domains. (arXiv:2312.03747v1 [cs.CL])

Authors: Giorgos Lysandrou, Roma English Owen, Vanja Popovic, Grant Le Brun, Beatrice Alex, Elizabeth A. L. Fairley

It is essential that healthcare professionals and members of the healthcare community can access and easily understand patient experiences in the real world, so that care standards can be improved and driven towards personalised drug treatment. Social media platforms and message boards are deemed suitable sources of patient experience information, as patients have been observed to discuss and exchange knowledge, look for and provide support online. This paper tests the hypothesis that not all online patient experience information can be treated and collected in the same way, as a result of the inherent differences in the way individuals talk about their journeys, in different therapeutic domains and or data sources.

We used linguistic analysis to understand and identify similarities between datasets, across patient language, between data sources (Reddit, SocialGist) and therapeutic domains (cardiovascular, oncology, immunology, neurology). We detected common vocabulary used by patients in the same therapeutic domain across data sources, except for immunology patients, who use unique vocabulary between the two data sources, and compared to all other datasets. We combined linguistically similar datasets to train classifiers (CNN, transformer) to accurately identify patient experience posts from social media, a task we refer to as patient voice classification. The cardiovascular and neurology transformer classifiers perform the best in their respective comparisons for the Reddit data source, achieving F1-scores of 0.865 and 1.0 respectively. The overall best performing classifier is the transformer classifier trained on all data collected for this experiment, achieving F1-scores ranging between 0.863 and 0.995 across all therapeutic domain and data source specific test datasets.

Near-real-time Earthquake-induced Fatality Estimation using Crowdsourced Data and Large-Language Models. (arXiv:2312.03755v1 [cs.CL])

Authors: Chenguang Wang, Davis Engler, Xuechun Li, James Hou, David J. Wald, Kishor Jaiswal, Susu Xu

When a damaging earthquake occurs, immediate information about casualties is critical for time-sensitive decision-making by emergency response and aid agencies in the first hours and days. Systems such as Prompt Assessment of Global Earthquakes for Response (PAGER) by the U.S. Geological Survey (USGS) were developed to provide a forecast within about 30 minutes of any significant earthquake globally. Traditional systems for estimating human loss in disasters often depend on manually collected early casualty reports from global media, a process that's labor-intensive and slow with notable time delays. Recently, some systems have employed keyword matching and topic modeling to extract relevant information from social media. However, these methods struggle with the complex semantics in multilingual texts and the challenge of interpreting ever-changing, often conflicting reports of death and injury numbers from various unverified sources on social media platforms. In this work, we introduce an end-to-end framework to significantly improve the timeliness and accuracy of global earthquake-induced human loss forecasting using multi-lingual, crowdsourced social media. Our framework integrates (1) a hierarchical casualty extraction model built upon large language models, prompt design, and few-shot learning to retrieve quantitative human loss claims from social media, (2) a physical constraint-aware, dynamic-truth discovery model that discovers the truthful human loss from massive noisy and potentially conflicting human loss claims, and (3) a Bayesian updating loss projection model that dynamically updates the final loss estimation using discovered truths. We test the framework in real-time on a series of global earthquake events in 2021 and 2022 and show that our framework streamlines casualty data retrieval, achieving speed and accuracy comparable to manual methods by USGS.

LineConGraphs: Line Conversation Graphs for Effective Emotion Recognition using Graph Neural Networks. (arXiv:2312.03756v1 [cs.CL])

Authors: Gokul S Krishnan, Sarala Padi, Craig S. Greenberg, Balaraman Ravindran, Dinesh Manoch, Ram D.Sriram

Emotion Recognition in Conversations (ERC) is a critical aspect of affective computing, and it has many practical applications in healthcare, education, chatbots, and social media platforms. Earlier approaches for ERC analysis involved modeling both speaker and long-term contextual information using graph neural network architectures. However, it is ideal to deploy speaker-independent models for real-world applications. Additionally, long context windows can potentially create confusion in recognizing the emotion of an utterance in a conversation. To overcome these limitations, we propose novel line conversation graph convolutional network (LineConGCN) and graph attention (LineConGAT) models for ERC analysis. These models are speaker-independent and built using a graph construction strategy for conversations -- line conversation graphs (LineConGraphs). The conversational context in LineConGraphs is short-term -- limited to one previous and future utterance, and speaker information is not part of the graph. We evaluate the performance of our proposed models on two benchmark datasets, IEMOCAP and MELD, and show that our LineConGAT model outperforms the state-of-the-art methods with an F1-score of 64.58% and 76.50%. Moreover, we demonstrate that embedding sentiment shift information into line conversation graphs further enhances the ERC performance in the case of GCN models.

Learning High-Dimensional Differential Graphs From Multi-Attribute Data. (arXiv:2312.03761v1 [stat.ML])

Authors: Jitendra K Tugnait

We consider the problem of estimating differences in two Gaussian graphical models (GGMs) which are known to have similar structure. The GGM structure is encoded in its precision (inverse covariance) matrix. In many applications one is interested in estimating the difference in two precision matrices to characterize underlying changes in conditional dependencies of two sets of data. Existing methods for differential graph estimation are based on single-attribute (SA) models where one associates a scalar random variable with each node. In multi-attribute (MA) graphical models, each node represents a random vector. In this paper, we analyze a group lasso penalized D-trace loss function approach for differential graph learning from multi-attribute data. An alternating direction method of multipliers (ADMM) algorithm is presented to optimize the objective function. Theoretical analysis establishing consistency in support recovery and estimation in high-dimensional settings is provided. Numerical results based on synthetic as well as real data are presented.

Colour versus Shape Goal Misgeneralization in Reinforcement Learning: A Case Study. (arXiv:2312.03762v1 [cs.LG])

Authors: Karolis Ramanauskas, Özgür Şimşek

We explore colour versus shape goal misgeneralization originally demonstrated by Di Langosco et al. (2022) in the Procgen Maze environment, where, given an ambiguous choice, the agents seem to prefer generalization based on colour rather than shape. After training over 1,000 agents in a simplified version of the environment and evaluating them on over 10 million episodes, we conclude that the behaviour can be attributed to the agents learning to detect the goal object through a specific colour channel. This choice is arbitrary. Additionally, we show how, due to underspecification, the preferences can change when retraining the agents using exactly the same procedure except for using a different random seed for the training run. Finally, we demonstrate the existence of outliers in out-of-distribution behaviour based on training random seed alone.

Gaussian3Diff: 3D Gaussian Diffusion for 3D Full Head Synthesis and Editing. (arXiv:2312.03763v1 [cs.CV])

Authors: Yushi Lan, Feitong Tan, Di Qiu, Qiangeng Xu, Kyle Genova, Zeng Huang, Sean Fanello, Rohit Pandey, Thomas Funkhouser, Chen Change Loy, Yinda Zhang

We present a novel framework for generating photorealistic 3D human head and subsequently manipulating and reposing them with remarkable flexibility. The proposed approach leverages an implicit function representation of 3D human heads, employing 3D Gaussians anchored on a parametric face model. To enhance representational capabilities and encode spatial information, we embed a lightweight tri-plane payload within each Gaussian rather than directly storing color and opacity. Additionally, we parameterize the Gaussians in a 2D UV space via a 3DMM, enabling effective utilization of the diffusion model for 3D head avatar generation. Our method facilitates the creation of diverse and realistic 3D human heads with fine-grained editing over facial features and expressions. Extensive experiments demonstrate the effectiveness of our method.

Similarity-based Knowledge Transfer for Cross-Domain Reinforcement Learning. (arXiv:2312.03764v1 [cs.LG])

Authors: Sergio A. Serrano, Jose Martinez-Carranza, L. Enrique Sucar

Transferring knowledge in cross-domain reinforcement learning is a challenging setting in which learning is accelerated by reusing knowledge from a task with different observation and/or action space. However, it is often necessary to carefully select the source of knowledge for the receiving end to benefit from the transfer process. In this article, we study how to measure the similarity between cross-domain reinforcement learning tasks to select a source of knowledge that will improve the performance of the learning agent. We developed a semi-supervised alignment loss to match different spaces with a set of encoder-decoders, and use them to measure similarity and transfer policies across tasks. In comparison to prior works, our method does not require data to be aligned, paired or collected by expert policies. Experimental results, on a set of varied Mujoco control tasks, show the robustness of our method in effectively selecting and transferring knowledge, without the supervision of a tailored set of source tasks.

Predicting the Transportation Activities of Construction Waste Hauling Trucks: An Input-Output Hidden Markov Approach. (arXiv:2312.03780v1 [cs.LG])

Authors: Hongtai Yang, Boyi Lei, Ke Han, Luna Liu

Construction waste hauling trucks (CWHTs), as one of the most commonly seen heavy-duty vehicles in major cities around the globe, are usually subject to a series of regulations and spatial-temporal access restrictions because they not only produce significant NOx and PM emissions but also causes on-road fugitive dust. The timely and accurate prediction of CWHTs' destinations and dwell times play a key role in effective environmental management. To address this challenge, we propose a prediction method based on an interpretable activity-based model, input-output hidden Markov model (IOHMM), and validate it on 300 CWHTs in Chengdu, China. Contextual factors are considered in the model to improve its prediction power. Results show that the IOHMM outperforms several baseline models, including Markov chains, linear regression, and long short-term memory. Factors influencing the predictability of CWHTs' transportation activities are also explored using linear regression models. Results suggest the proposed model holds promise in assisting authorities by predicting the upcoming transportation activities of CWHTs and administering intervention in a timely and effective manner.

SmoothQuant+: Accurate and Efficient 4-bit Post-Training WeightQuantization for LLM. (arXiv:2312.03788v1 [cs.LG])

Authors: Jiayi Pan, Chengcan Wang, Kaifu Zheng, Yangguang Li, Zhenyu Wang, Bin Feng

Large language models (LLMs) have shown remarkable capabilities in various tasks. However their huge model size and the consequent demand for computational and memory resources also pose challenges to model deployment. Currently, 4-bit post-training quantization (PTQ) has achieved some success in LLMs, reducing the memory footprint by approximately 75% compared to FP16 models, albeit with some accuracy loss. In this paper, we propose SmoothQuant+, an accurate and efficient 4-bit weight-only PTQ that requires no additional training, which enables lossless in accuracy for LLMs for the first time. Based on the fact that the loss of weight quantization is amplified by the activation outliers, SmoothQuant+ smoothes the activation outliers by channel before quantization, while adjusting the corresponding weights for mathematical equivalence, and then performs group-wise 4-bit weight quantization for linear layers. We have integrated SmoothQuant+ into the vLLM framework, an advanced high-throughput inference engine specially developed for LLMs, and equipped it with an efficient W4A16 CUDA kernels, so that vLLM can seamlessly support SmoothQuant+ 4-bit weight quantization. Our results show that, with SmoothQuant+, the Code Llama-34B model can be quantized and deployed on a A100 40GB GPU, achieving lossless accuracy and a throughput increase of 1.9 to 4.0 times compared to the FP16 model deployed on two A100 40GB GPUs. Moreover, the latency per token is only 68% of the FP16 model deployed on two A100 40GB GPUs. This is the state-of-the-art 4-bit weight quantization for LLMs as we know.

PCDP-SGD: Improving the Convergence of Differentially Private SGD via Projection in Advance. (arXiv:2312.03792v1 [cs.CR])

Authors: Haichao Sha (1), Ruixuan Liu (1), Yixuan Liu (1), Hong Chen (1) ((1) Renmin University of China)

The paradigm of Differentially Private SGD~(DP-SGD) can provide a theoretical guarantee for training data in both centralized and federated settings. However, the utility degradation caused by DP-SGD limits its wide application in high-stakes tasks, such as medical image diagnosis. In addition to the necessary perturbation, the convergence issue is attributed to the information loss on the gradient clipping. In this work, we propose a general framework PCDP-SGD, which aims to compress redundant gradient norms and preserve more crucial top gradient components via projection operation before gradient clipping. Additionally, we extend PCDP-SGD as a fundamental component in differential privacy federated learning~(DPFL) for mitigating the data heterogeneous challenge and achieving efficient communication. We prove that pre-projection enhances the convergence of DP-SGD by reducing the dependence of clipping error and bias to a fraction of the top gradient eigenspace, and in theory, limits cross-client variance to improve the convergence under heterogeneous federation. Experimental results demonstrate that PCDP-SGD achieves higher accuracy compared with state-of-the-art DP-SGD variants in computer vision tasks. Moreover, PCDP-SGD outperforms current federated learning frameworks when DP is guaranteed on local training sets.

Multi-Scale and Multi-Modal Contrastive Learning Network for Biomedical Time Series. (arXiv:2312.03796v1 [cs.LG])

Authors: Hongbo Guo, Xinzi Xu, Hao Wu, Guoxing Wang

Multi-modal biomedical time series (MBTS) data offers a holistic view of the physiological state, holding significant importance in various bio-medical applications. Owing to inherent noise and distribution gaps across different modalities, MBTS can be complex to model. Various deep learning models have been developed to learn representations of MBTS but still fall short in robustness due to the ignorance of modal-to-modal variations. This paper presents a multi-scale and multi-modal biomedical time series representation learning (MBSL) network with contrastive learning to migrate these variations. Firstly, MBTS is grouped based on inter-modal distances, then each group with minimum intra-modal variations can be effectively modeled by individual encoders. Besides, to enhance the multi-scale feature extraction (encoder), various patch lengths and mask ratios are designed to generate tokens with semantic information at different scales and diverse contextual perspectives respectively. Finally, cross-modal contrastive learning is proposed to maximize consistency among inter-modal groups, maintaining useful information and eliminating noises. Experiments against four bio-medical applications show that MBSL outperforms state-of-the-art models by 33.9% mean average errors (MAE) in respiration rate, by 13.8% MAE in exercise heart rate, by 1.41% accuracy in human activity recognition, and by 1.14% F1-score in obstructive sleep apnea-hypopnea syndrome.

Generalization to New Sequential Decision Making Tasks with In-Context Learning. (arXiv:2312.03801v1 [cs.LG])

Authors: Sharath Chandra Raparthy, Eric Hambro, Robert Kirk, Mikael Henaff, Roberta Raileanu

Training autonomous agents that can learn new tasks from only a handful of demonstrations is a long-standing problem in machine learning. Recently, transformers have been shown to learn new language or vision tasks without any weight updates from only a few examples, also referred to as in-context learning. However, the sequential decision making setting poses additional challenges having a lower tolerance for errors since the environment's stochasticity or the agent's actions can lead to unseen, and sometimes unrecoverable, states. In this paper, we use an illustrative example to show that naively applying transformers to sequential decision making problems does not enable in-context learning of new tasks. We then demonstrate how training on sequences of trajectories with certain distributional properties leads to in-context learning of new sequential decision making tasks. We investigate different design choices and find that larger model and dataset sizes, as well as more task diversity, environment stochasticity, and trajectory burstiness, all result in better in-context learning of new out-of-distribution tasks. By training on large diverse offline datasets, our model is able to learn new MiniHack and Procgen tasks without any weight updates from just a handful of demonstrations.

XCube ($\mathcal{X}^3$): Large-Scale 3D Generative Modeling using Sparse Voxel Hierarchies. (arXiv:2312.03806v1 [cs.CV])

Authors: Xuanchi Ren, Jiahui Huang, Xiaohui Zeng, Ken Museth, Sanja Fidler, Francis Williams

We present $\mathcal{X}^3$ (pronounced XCube), a novel generative model for high-resolution sparse 3D voxel grids with arbitrary attributes. Our model can generate millions of voxels with a finest effective resolution of up to $1024^3$ in a feed-forward fashion without time-consuming test-time optimization. To achieve this, we employ a hierarchical voxel latent diffusion model which generates progressively higher resolution grids in a coarse-to-fine manner using a custom framework built on the highly efficient VDB data structure. Apart from generating high-resolution objects, we demonstrate the effectiveness of XCube on large outdoor scenes at scales of 100m$\times$100m with a voxel size as small as 10cm. We observe clear qualitative and quantitative improvements over past approaches. In addition to unconditional generation, we show that our model can be used to solve a variety of tasks such as user-guided editing, scene completion from a single scan, and text-to-3D. More results and details can be found at https://research.nvidia.com/labs/toronto-ai/xcube/.

Achieving ${O}(\epsilon^{-1.5})$ Complexity in Hessian/Jacobian-free Stochastic Bilevel Optimization. (arXiv:2312.03807v1 [math.OC])

Authors: Yifan Yang, Peiyao Xiao, Kaiyi Ji

In this paper, we revisit the bilevel optimization problem, in which the upper-level objective function is generally nonconvex and the lower-level objective function is strongly convex. Although this type of problem has been studied extensively, it still remains an open question how to achieve an ${O}(\epsilon^{-1.5})$ sample complexity of ${O}(\epsilon^{-1.5})$ in Hessian/Jacobian-free stochastic bilevel optimization without any second-order derivative computation. To fill this gap, we propose a novel Hessian/Jacobian-free bilevel optimizer named FdeHBO, which features a simple fully single-loop structure, a projection-aided finite-difference Hessian/Jacobian-vector approximation, and momentum-based updates. Theoretically, we show that FdeHBO requires ${O}(\epsilon^{-1.5})$ iterations (each using ${O}(1)$ samples and only first-order gradient information) to find an $\epsilon$-accurate stationary point. As far as we know, this is the first Hessian/Jacobian-free method with an ${O}(\epsilon^{-1.5})$ sample complexity for nonconvex-strongly-convex stochastic bilevel optimization.

Improving Activation Steering in Language Models with Mean-Centring. (arXiv:2312.03813v1 [cs.CL])

Authors: Ole Jorgensen, Dylan Cope, Nandi Schoots, Murray Shanahan

Recent work in activation steering has demonstrated the potential to better control the outputs of Large Language Models (LLMs), but it involves finding steering vectors. This is difficult because engineers do not typically know how features are represented in these models. We seek to address this issue by applying the idea of mean-centring to steering vectors. We find that taking the average of activations associated with a target dataset, and then subtracting the mean of all training activations, results in effective steering vectors. We test this method on a variety of models on natural language tasks by steering away from generating toxic text, and steering the completion of a story towards a target genre. We also apply mean-centring to extract function vectors, more effectively triggering the execution of a range of natural language tasks by a significant margin (compared to previous baselines). This suggests that mean-centring can be used to easily improve the effectiveness of activation steering in a wide range of contexts.

Pearl: A Production-ready Reinforcement Learning Agent. (arXiv:2312.03814v1 [cs.LG])

Authors: Zheqing Zhu, Rodrigo de Salvo Braz, Jalaj Bhandari, Daniel Jiang, Yi Wan, Yonathan Efroni, Liyuan Wang, Ruiyang Xu, Hongbo Guo, Alex Nikulkov, Dmytro Korenkevych, Urun Dogan, Frank Cheng, Zheng Wu, Wanqiao Xu

Reinforcement Learning (RL) offers a versatile framework for achieving long-term goals. Its generality allows us to formalize a wide range of problems that real-world intelligent systems encounter, such as dealing with delayed rewards, handling partial observability, addressing the exploration and exploitation dilemma, utilizing offline data to improve online performance, and ensuring safety constraints are met. Despite considerable progress made by the RL research community in addressing these issues, existing open-source RL libraries tend to focus on a narrow portion of the RL solution pipeline, leaving other aspects largely unattended. This paper introduces Pearl, a Production-ready RL agent software package explicitly designed to embrace these challenges in a modular fashion. In addition to presenting preliminary benchmark results, this paper highlights Pearl's industry adoptions to demonstrate its readiness for production usage. Pearl is open sourced on Github at github.com/facebookresearch/pearl and its official website is located at pearlagent.github.io.

LLM as OS (llmao), Agents as Apps: Envisioning AIOS, Agents and the AIOS-Agent Ecosystem. (arXiv:2312.03815v1 [cs.OS])

Authors: Yingqiang Ge, Yujie Ren, Wenyue Hua, Shuyuan Xu, Juntao Tan, Yongfeng Zhang

This paper envisions a revolutionary AIOS-Agent ecosystem, where Large Language Model (LLM) serves as the (Artificial) Intelligent Operating System (IOS, or AIOS)--an operating system ``with soul''. Upon this foundation, a diverse range of LLM-based AI Agent Applications (Agents, or AAPs) are developed, enriching the AIOS-Agent ecosystem and signaling a paradigm shift from the traditional OS-APP ecosystem. We envision that LLM's impact will not be limited to the AI application level, instead, it will in turn revolutionize the design and implementation of computer system, architecture, software, and programming language, featured by several main concepts: LLM as OS (system-level), Agents as Applications (application-level), Natural Language as Programming Interface (user-level), and Tools as Devices/Libraries (hardware/middleware-level).

Alpha-CLIP: A CLIP Model Focusing on Wherever You Want. (arXiv:2312.03818v1 [cs.CV])

Authors: Zeyi Sun, Ye Fang, Tong Wu, Pan Zhang, Yuhang Zang, Shu Kong, Yuanjun Xiong, Dahua Lin, Jiaqi Wang

Contrastive Language-Image Pre-training (CLIP) plays an essential role in extracting valuable content information from images across diverse tasks. It aligns textual and visual modalities to comprehend the entire image, including all the details, even those irrelevant to specific tasks. However, for a finer understanding and controlled editing of images, it becomes crucial to focus on specific regions of interest, which can be indicated as points, masks, or boxes by humans or perception models. To fulfill the requirements, we introduce Alpha-CLIP, an enhanced version of CLIP with an auxiliary alpha channel to suggest attentive regions and fine-tuned with constructed millions of RGBA region-text pairs. Alpha-CLIP not only preserves the visual recognition ability of CLIP but also enables precise control over the emphasis of image contents. It demonstrates effectiveness in various tasks, including but not limited to open-world recognition, multimodal large language models, and conditional 2D / 3D generation. It has a strong potential to serve as a versatile tool for image-related tasks.

High Pileup Particle Tracking with Object Condensation. (arXiv:2312.03823v1 [physics.data-an])

Authors: Kilian Lieret, Gage DeZoort, Devdoot Chatterjee, Jian Park, Siqi Miao, Pan Li

Recent work has demonstrated that graph neural networks (GNNs) can match the performance of traditional algorithms for charged particle tracking while improving scalability to meet the computing challenges posed by the HL-LHC. Most GNN tracking algorithms are based on edge classification and identify tracks as connected components from an initial graph containing spurious connections. In this talk, we consider an alternative based on object condensation (OC), a multi-objective learning framework designed to cluster points (hits) belonging to an arbitrary number of objects (tracks) and regress the properties of each object. Building on our previous results, we present a streamlined model and show progress toward a one-shot OC tracking algorithm in a high-pileup environment.

nbi: the Astronomer's Package for Neural Posterior Estimation. (arXiv:2312.03824v1 [astro-ph.IM])

Authors: Keming Zhang, Joshua Bloom, Stéfan van der Walt, Nina Hernitschek

Despite the promise of Neural Posterior Estimation (NPE) methods in astronomy, the adaptation of NPE into the routine inference workflow has been slow. We identify three critical issues: the need for custom featurizer networks tailored to the observed data, the inference inexactness, and the under-specification of physical forward models. To address the first two issues, we introduce a new framework and open-source software nbi (Neural Bayesian Inference), which supports both amortized and sequential NPE. First, nbi provides built-in "featurizer" networks with demonstrated efficacy on sequential data, such as light curve and spectra, thus obviating the need for this customization on the user end. Second, we introduce a modified algorithm SNPE-IS, which facilities asymptotically exact inference by using the surrogate posterior under NPE only as a proposal distribution for importance sampling. These features allow nbi to be applied off-the-shelf to astronomical inference problems involving light curves and spectra. We discuss how nbi may serve as an effective alternative to existing methods such as Nested Sampling. Our package is at https://github.com/kmzzhang/nbi.

Exposing Disparities in Flood Adaptation for Equitable Future Interventions. (arXiv:2312.03843v1 [econ.GN])

Authors: Lidia Cano Pecharroman, ChangHoon Hahn

As governments race to implement new climate adaptation policies that prepare for more frequent flooding, they must seek policies that are effective for all communities and uphold climate justice. This requires evaluating policies not only on their overall effectiveness but also on whether their benefits are felt across all communities. We illustrate the importance of considering such disparities for flood adaptation using the FEMA National Flood Insurance Program Community Rating System and its dataset of $\sim$2.5 million flood insurance claims. We use ${\rm C{\scriptsize AUSAL}F{\scriptsize LOW}}$, a causal inference method based on deep generative models, to estimate the treatment effect of flood adaptation interventions based on a community's income, diversity, population, flood risk, educational attainment, and precipitation. We find that the program saves communities \$5,000--15,000 per household. However, these savings are not evenly spread across communities. For example, for low-income communities savings sharply decline as flood-risk increases in contrast to their high-income counterparts with all else equal. Even among low-income communities, there is a gap in savings between predominantly white and non-white communities: savings of predominantly white communities can be higher by more than \$6000 per household. As communities worldwide ramp up efforts to reduce losses inflicted by floods, simply prescribing a series flood adaptation measures is not enough. Programs must provide communities with the necessary technical and economic support to compensate for historical patterns of disenfranchisement, racism, and inequality. Future flood adaptation efforts should go beyond reducing losses overall and aim to close existing gaps to equitably support communities in the race for climate adaptation.

Dr. Jekyll and Mr. Hyde: Two Faces of LLMs. (arXiv:2312.03853v1 [cs.CR])

Authors: Matteo Gioele Collu, Tom Janssen-Groesbeek, Stefanos Koffas, Mauro Conti, Stjepan Picek

This year, we witnessed a rise in the use of Large Language Models, especially when combined with applications like chatbot assistants. Safety mechanisms and specialized training procedures are put in place to prevent improper responses from these assistants. In this work, we bypass these measures for ChatGPT and Bard (and, to some extent, Bing chat) by making them impersonate complex personas with opposite characteristics as those of the truthful assistants they are supposed to be. We start by creating elaborate biographies of these personas, which we then use in a new session with the same chatbots. Our conversation followed a role-play style to get the response the assistant was not allowed to provide. By making use of personas, we show that the response that is prohibited is actually provided, making it possible to obtain unauthorized, illegal, or harmful information. This work shows that by using adversarial personas, one can overcome safety mechanisms set out by ChatGPT and Bard. It also introduces several ways of activating such adversarial personas, altogether showing that both chatbots are vulnerable to this kind of attack.

Learning Genomic Sequence Representations using Graph Neural Networks over De Bruijn Graphs. (arXiv:2312.03865v1 [cs.LG])

Authors: Kacper Kapuśniak, Manuel Burger, Gunnar Rätsch, Amir Joudaki

The rapid expansion of genomic sequence data calls for new methods to achieve robust sequence representations. Existing techniques often neglect intricate structural details, emphasizing mainly contextual information. To address this, we developed k-mer embeddings that merge contextual and structural string information by enhancing De Bruijn graphs with structural similarity connections. Subsequently, we crafted a self-supervised method based on Contrastive Learning that employs a heterogeneous Graph Convolutional Network encoder and constructs positive pairs based on node similarities. Our embeddings consistently outperform prior techniques for Edit Distance Approximation and Closest String Retrieval tasks.

Multi-Group Fairness Evaluation via Conditional Value-at-Risk Testing. (arXiv:2312.03867v1 [cs.LG])

Authors: Lucas Monteiro Paes, Ananda Theertha Suresh, Alex Beutel, Flavio P. Calmon, Ahmad Beirami

Machine learning (ML) models used in prediction and classification tasks may display performance disparities across population groups determined by sensitive attributes (e.g., race, sex, age). We consider the problem of evaluating the performance of a fixed ML model across population groups defined by multiple sensitive attributes (e.g., race and sex and age). Here, the sample complexity for estimating the worst-case performance gap across groups (e.g., the largest difference in error rates) increases exponentially with the number of group-denoting sensitive attributes. To address this issue, we propose an approach to test for performance disparities based on Conditional Value-at-Risk (CVaR). By allowing a small probabilistic slack on the groups over which a model has approximately equal performance, we show that the sample complexity required for discovering performance violations is reduced exponentially to be at most upper bounded by the square root of the number of groups. As a byproduct of our analysis, when the groups are weighted by a specific prior distribution, we show that R\'enyi entropy of order $2/3$ of the prior distribution captures the sample complexity of the proposed CVaR test algorithm. Finally, we also show that there exists a non-i.i.d. data collection strategy that results in a sample complexity independent of the number of groups.

Hidden yet quantifiable: A lower bound for confounding strength using randomized trials. (arXiv:2312.03871v1 [stat.ML])

Authors: Piersilvio De Bartolomeis, Javier Abad, Konstantin Donhauser, Fanny Yang

In the era of fast-paced precision medicine, observational studies play a major role in properly evaluating new treatments in clinical practice. Yet, unobserved confounding can significantly compromise causal conclusions drawn from non-randomized data. We propose a novel strategy that leverages randomized trials to quantify unobserved confounding. First, we design a statistical test to detect unobserved confounding with strength above a given threshold. Then, we use the test to estimate an asymptotically valid lower bound on the unobserved confounding strength. We evaluate the power and validity of our statistical test on several synthetic and semi-synthetic datasets. Further, we show how our lower bound can correctly identify the absence and presence of unobserved confounding in a real-world setting.

The BigCode Project Governance Card. (arXiv:2312.03872v1 [cs.CY])

Authors: BigCode collaboration: Sean Hughes, Harm de Vries, Jennifer Robinson, Carlos Muñoz Ferrandis, Loubna Ben Allal, Leandro von Werra, Jennifer Ding, Sebastien Paquet, Yacine Jernite

This document serves as an overview of the different mechanisms and areas of governance in the BigCode project. It aims to support transparency by providing relevant information about choices that were made during the project to the broader public, and to serve as an example of intentional governance of an open research project that future endeavors can leverage to shape their own approach. The first section, Project Structure, covers the project organization, its stated goals and values, its internal decision processes, and its funding and resources. The second section, Data and Model Governance, covers decisions relating to the questions of data subject consent, privacy, and model release.

Optimizing $CO_{2}$ Capture in Pressure Swing Adsorption Units: A Deep Neural Network Approach with Optimality Evaluation and Operating Maps for Decision-Making. (arXiv:2312.03873v1 [physics.chem-ph])

Authors: Carine Menezes Rebello, Idelfonso B. R. Nogueira

This study presents a methodology for surrogate optimization of cyclic adsorption processes, focusing on enhancing Pressure Swing Adsorption units for carbon dioxide ($CO_{2}$) capture. We developed and implemented a multiple-input, single-output (MISO) framework comprising two deep neural network (DNN) models, predicting key process performance indicators. These models were then integrated into an optimization framework, leveraging particle swarm optimization (PSO) and statistical analysis to generate a comprehensive Pareto front representation. This approach delineated feasible operational regions (FORs) and highlighted the spectrum of optimal decision-making scenarios. A key aspect of our methodology was the evaluation of optimization effectiveness. This was accomplished by testing decision variables derived from the Pareto front against a phenomenological model, affirming the surrogate models reliability. Subsequently, the study delved into analyzing the feasible operational domains of these decision variables. A detailed correlation map was constructed to elucidate the interplay between these variables, thereby uncovering the most impactful factors influencing process behavior. The study offers a practical, insightful operational map that aids operators in pinpointing the optimal process location and prioritizing specific operational goals.

Scaling transformer neural networks for skillful and reliable medium-range weather forecasting. (arXiv:2312.03876v1 [physics.ao-ph])

Authors: Tung Nguyen, Rohan Shah, Hritik Bansal, Troy Arcomano, Sandeep Madireddy, Romit Maulik, Veerabhadra Kotamarthi, Ian Foster, Aditya Grover

Weather forecasting is a fundamental problem for anticipating and mitigating the impacts of climate change. Recently, data-driven approaches for weather forecasting based on deep learning have shown great promise, achieving accuracies that are competitive with operational systems. However, those methods often employ complex, customized architectures without sufficient ablation analysis, making it difficult to understand what truly contributes to their success. Here we introduce Stormer, a simple transformer model that achieves state-of-the-art performance on weather forecasting with minimal changes to the standard transformer backbone. We identify the key components of Stormer through careful empirical analyses, including weather-specific embedding, randomized dynamics forecast, and pressure-weighted loss. At the core of Stormer is a randomized forecasting objective that trains the model to forecast the weather dynamics over varying time intervals. During inference, this allows us to produce multiple forecasts for a target lead time and combine them to obtain better forecast accuracy. On WeatherBench 2, Stormer performs competitively at short to medium-range forecasts and outperforms current methods beyond 7 days, while requiring orders-of-magnitude less training data and compute. Additionally, we demonstrate Stormer's favorable scaling properties, showing consistent improvements in forecast accuracy with increases in model size and training tokens. Code and checkpoints will be made publicly available.

Domain constraints improve risk prediction when outcome data is missing. (arXiv:2312.03878v1 [cs.LG])

Authors: Sidhika Balachandar, Nikhil Garg, Emma Pierson

Machine learning models are often trained to predict the outcome resulting from a human decision. For example, if a doctor decides to test a patient for disease, will the patient test positive? A challenge is that the human decision censors the outcome data: we only observe test outcomes for patients doctors historically tested. Untested patients, for whom outcomes are unobserved, may differ from tested patients along observed and unobserved dimensions. We propose a Bayesian model class which captures this setting. The purpose of the model is to accurately estimate risk for both tested and untested patients. Estimating this model is challenging due to the wide range of possibilities for untested patients. To address this, we propose two domain constraints which are plausible in health settings: a prevalence constraint, where the overall disease prevalence is known, and an expertise constraint, where the human decision-maker deviates from purely risk-based decision-making only along a constrained feature set. We show theoretically and on synthetic data that domain constraints improve parameter inference. We apply our model to a case study of cancer risk prediction, showing that the model's inferred risk predicts cancer diagnoses, its inferred testing policy captures known public health policies, and it can identify suboptimalities in test allocation. Though our case study is in healthcare, our analysis reveals a general class of domain constraints which can improve model estimation in many settings.

FoMo Rewards: Can we cast foundation models as reward functions?. (arXiv:2312.03881v1 [cs.LG])

Authors: Ekdeep Singh Lubana, Johann Brehmer, Pim de Haan, Taco Cohen

We explore the viability of casting foundation models as generic reward functions for reinforcement learning. To this end, we propose a simple pipeline that interfaces an off-the-shelf vision model with a large language model. Specifically, given a trajectory of observations, we infer the likelihood of an instruction describing the task that the user wants an agent to perform. We show that this generic likelihood function exhibits the characteristics ideally expected from a reward function: it associates high values with the desired behaviour and lower values for several similar, but incorrect policies. Overall, our work opens the possibility of designing open-ended agents for interactive tasks via foundation models.

Adapting Newton's Method to Neural Networks through a Summary of Higher-Order Derivatives. (arXiv:2312.03885v1 [cs.LG])

Authors: Pierre Wolinski

We consider a gradient-based optimization method applied to a function $\mathcal{L}$ of a vector of variables $\boldsymbol{\theta}$, in the case where $\boldsymbol{\theta}$ is represented as a tuple of tensors $(\mathbf{T}_1, \cdots, \mathbf{T}_S)$. This framework encompasses many common use-cases, such as training neural networks by gradient descent. First, we propose a computationally inexpensive technique providing higher-order information on $\mathcal{L}$, especially about the interactions between the tensors $\mathbf{T}_s$, based on automatic differentiation and computational tricks. Second, we use this technique at order 2 to build a second-order optimization method which is suitable, among other things, for training deep neural networks of various architectures. This second-order method leverages the partition structure of $\boldsymbol{\theta}$ into tensors $(\mathbf{T}_1, \cdots, \mathbf{T}_S)$, in such a way that it requires neither the computation of the Hessian of $\mathcal{L}$ according to $\boldsymbol{\theta}$, nor any approximation of it. The key part consists in computing a smaller matrix interpretable as a "Hessian according to the partition", which can be computed exactly and efficiently. In contrast to many existing practical second-order methods used in neural networks, which perform a diagonal or block-diagonal approximation of the Hessian or its inverse, the method we propose does not neglect interactions between layers. Finally, we can tune the coarseness of the partition to recover well-known optimization methods: the coarsest case corresponds to Cauchy's steepest descent method, the finest case corresponds to the usual Newton's method.

On The Fairness Impacts of Hardware Selection in Machine Learning. (arXiv:2312.03886v1 [cs.LG])

Authors: Sree Harsha Nelaturu, Nishaanth Kanna Ravichandran, Cuong Tran, Sara Hooker, Ferdinando Fioretto

In the machine learning ecosystem, hardware selection is often regarded as a mere utility, overshadowed by the spotlight on algorithms and data. This oversight is particularly problematic in contexts like ML-as-a-service platforms, where users often lack control over the hardware used for model deployment. How does the choice of hardware impact generalization properties? This paper investigates the influence of hardware on the delicate balance between model performance and fairness. We demonstrate that hardware choices can exacerbate existing disparities, attributing these discrepancies to variations in gradient flows and loss surfaces across different demographic groups. Through both theoretical and empirical analysis, the paper not only identifies the underlying factors but also proposes an effective strategy for mitigating hardware-induced performance imbalances.

A Masked Pruning Approach for Dimensionality Reduction in Communication-Efficient Federated Learning Systems. (arXiv:2312.03889v1 [cs.LG])

Authors: Tamir L.S. Gez, Kobi Cohen

Federated Learning (FL) represents a growing machine learning (ML) paradigm designed for training models across numerous nodes that retain local datasets, all without directly exchanging the underlying private data with the parameter server (PS). Its increasing popularity is attributed to notable advantages in terms of training deep neural network (DNN) models under privacy aspects and efficient utilization of communication resources. Unfortunately, DNNs suffer from high computational and communication costs, as well as memory consumption in intricate tasks. These factors restrict the applicability of FL algorithms in communication-constrained systems with limited hardware resources.

In this paper, we develop a novel algorithm that overcomes these limitations by synergistically combining a pruning-based method with the FL process, resulting in low-dimensional representations of the model with minimal communication cost, dubbed Masked Pruning over FL (MPFL). The algorithm operates by initially distributing weights to the nodes through the PS. Subsequently, each node locally trains its model and computes pruning masks. These low-dimensional masks are then transmitted back to the PS, which generates a consensus pruning mask, broadcasted back to the nodes. This iterative process enhances the robustness and stability of the masked pruning model. The generated mask is used to train the FL model, achieving significant bandwidth savings. We present an extensive experimental study demonstrating the superior performance of MPFL compared to existing methods. Additionally, we have developed an open-source software package for the benefit of researchers and developers in related fields.

Evaluation of Infrastructure-based Warning System on Driving Behaviors-A Roundabout Study. (arXiv:2312.03891v1 [cs.HC])

Authors: Cong Zhang, Chi Tian, Tianfang Han, Hang Li, Yiheng Feng, Yunfeng Chen, Robert W. Proctor, Jiansong Zhang

Smart intersections have the potential to improve road safety with sensing, communication, and edge computing technologies. Perception sensors installed at a smart intersection can monitor the traffic environment in real time and send infrastructure-based warnings to nearby travelers through V2X communication. This paper investigated how infrastructure-based warnings can influence driving behaviors and improve roundabout safety through a driving-simulator study - a challenging driving scenario for human drivers. A co-simulation platform integrating Simulation of Urban Mobility (SUMO) and Webots was developed to serve as the driving simulator. A real-world roundabout in Ann Arbor, Michigan was built in the co-simulation platform as the study area, and the merging scenarios were investigated. 36 participants were recruited and asked to navigate the roundabout under three danger levels (e.g., low, medium, high) and three collision warning designs (e.g., no warning, warning issued 1 second in advance, warning issued 2 seconds in advance). Results indicated that advanced warnings can significantly enhance safety by minimizing potential risks compared to scenarios without warnings. Earlier warnings enabled smoother driver responses and reduced abrupt decelerations. In addition, a personalized intention prediction model was developed to predict drivers' stop-or-go decisions when the warning is displayed. Among all tested machine learning models, the XGBoost model achieved the highest prediction accuracy with a precision rate of 95.56% and a recall rate of 97.73%.

HLoOP -- Hyperbolic 2-space Local Outlier Probabilities. (arXiv:2312.03895v1 [stat.ML])

Authors: Clémence Allietta, Jean-Philippe Condomines, Jean-Yves Tourneret, Emmanuel Lochin

Hyperbolic geometry has recently garnered considerable attention in machine learning due to its capacity to embed hierarchical graph structures with low distortions for further downstream processing. This paper introduces a simple framework to detect local outliers for datasets grounded in hyperbolic 2-space referred to as HLoOP (Hyperbolic Local Outlier Probability). Within a Euclidean space, well-known techniques for local outlier detection are based on the Local Outlier Factor (LOF) and its variant, the LoOP (Local Outlier Probability), which incorporates probabilistic concepts to model the outlier level of a data vector. The developed HLoOP combines the idea of finding nearest neighbors, density-based outlier scoring with a probabilistic, statistically oriented approach. Therefore, the method consists in computing the Riemmanian distance of a data point to its nearest neighbors following a Gaussian probability density function expressed in a hyperbolic space. This is achieved by defining a Gaussian cumulative distribution in this space. The HLoOP algorithm is tested on the WordNet dataset yielding promising results. Code and data will be made available on request for reproductibility.

Adaptive Dependency Learning Graph Neural Networks. (arXiv:2312.03903v1 [cs.LG])

Authors: Abishek Sriramulu, Nicolas Fourrier, Christoph Bergmeir

Graph Neural Networks (GNN) have recently gained popularity in the forecasting domain due to their ability to model complex spatial and temporal patterns in tasks such as traffic forecasting and region-based demand forecasting. Most of these methods require a predefined graph as input, whereas in real-life multivariate time series problems, a well-predefined dependency graph rarely exists. This requirement makes it harder for GNNs to be utilised widely for multivariate forecasting problems in other domains such as retail or energy. In this paper, we propose a hybrid approach combining neural networks and statistical structure learning models to self-learn the dependencies and construct a dynamically changing dependency graph from multivariate data aiming to enable the use of GNNs for multivariate forecasting even when a well-defined graph does not exist. The statistical structure modeling in conjunction with neural networks provides a well-principled and efficient approach by bringing in causal semantics to determine dependencies among the series. Finally, we demonstrate significantly improved performance using our proposed approach on real-world benchmark datasets without a pre-defined dependency graph.

A Pseudo-Semantic Loss for Autoregressive Models with Logical Constraints. (arXiv:2312.03905v1 [cs.LG])

Authors: Kareem Ahmed, Kai-Wei Chang, Guy Van den Broeck

Neuro-symbolic AI bridges the gap between purely symbolic and neural approaches to learning. This often requires maximizing the likelihood of a symbolic constraint w.r.t the neural network's output distribution. Such output distributions are typically assumed to be fully-factorized. This limits the applicability of neuro-symbolic learning to the more expressive autoregressive distributions, e.g., transformers. Under such distributions, computing the likelihood of even simple constraints is #P-hard. Instead of attempting to enforce the constraint on the entire output distribution, we propose to do so on a random, local approximation thereof. More precisely, we optimize the likelihood of the constraint under a pseudolikelihood-based approximation centered around a model sample. Our approximation is factorized, allowing the reuse of solutions to sub-problems, a main tenet for efficiently computing neuro-symbolic losses. Moreover, it is a local, high-fidelity approximation of the likelihood, exhibiting low entropy and KL-divergence around the model sample. We evaluate our approach on Sudoku and shortest-path prediction cast as autoregressive generation, and observe that we greatly improve upon the base model's ability to predict logically-consistent outputs. We also evaluate on the task of detoxifying large language models. Using a simple constraint disallowing a list of toxic words, we are able to steer the model's outputs away from toxic generations, achieving SoTA detoxification compared to previous approaches.

Improving Gradient-guided Nested Sampling for Posterior Inference. (arXiv:2312.03911v1 [cs.LG])

Authors: Pablo Lemos, Nikolay Malkin, Will Handley, Yoshua Bengio, Yashar Hezaveh, Laurence Perreault-Levasseur

We present a performant, general-purpose gradient-guided nested sampling algorithm, ${\tt GGNS}$, combining the state of the art in differentiable programming, Hamiltonian slice sampling, clustering, mode separation, dynamic nested sampling, and parallelization. This unique combination allows ${\tt GGNS}$ to scale well with dimensionality and perform competitively on a variety of synthetic and real-world problems. We also show the potential of combining nested sampling with generative flow networks to obtain large amounts of high-quality samples from the posterior distribution. This combination leads to faster mode discovery and more accurate estimates of the partition function.

Adaptive Weighted Co-Learning for Cross-Domain Few-Shot Learning. (arXiv:2312.03928v1 [cs.LG])

Authors: Abdullah Alchihabi, Marzi Heidari, Yuhong Guo

Due to the availability of only a few labeled instances for the novel target prediction task and the significant domain shift between the well annotated source domain and the target domain, cross-domain few-shot learning (CDFSL) induces a very challenging adaptation problem. In this paper, we propose a simple Adaptive Weighted Co-Learning (AWCoL) method to address the CDFSL challenge by adapting two independently trained source prototypical classification models to the target task in a weighted co-learning manner. The proposed method deploys a weighted moving average prediction strategy to generate probabilistic predictions from each model, and then conducts adaptive co-learning by jointly fine-tuning the two models in an alternating manner based on the pseudo-labels and instance weights produced from the predictions. Moreover, a negative pseudo-labeling regularizer is further deployed to improve the fine-tuning process by penalizing false predictions. Comprehensive experiments are conducted on multiple benchmark datasets and the empirical results demonstrate that the proposed method produces state-of-the-art CDFSL performance.

The Potential of Vision-Language Models for Content Moderation of Children's Videos. (arXiv:2312.03936v1 [cs.CV])

Authors: Syed Hammad Ahmed, Shengnan Hu, Gita Sukthankar

Natural language supervision has been shown to be effective for zero-shot learning in many computer vision tasks, such as object detection and activity recognition. However, generating informative prompts can be challenging for more subtle tasks, such as video content moderation. This can be difficult, as there are many reasons why a video might be inappropriate, beyond violence and obscenity. For example, scammers may attempt to create junk content that is similar to popular educational videos but with no meaningful information. This paper evaluates the performance of several CLIP variations for content moderation of children's cartoons in both the supervised and zero-shot setting. We show that our proposed model (Vanilla CLIP with Projection Layer) outperforms previous work conducted on the Malicious or Benign (MOB) benchmark for video content moderation. This paper presents an in depth analysis of how context-specific language prompts affect content moderation performance. Our results indicate that it is important to include more context in content moderation prompts, particularly for cartoon videos as they are not well represented in the CLIP training data.

PECANN: Parallel Efficient Clustering with Graph-Based Approximate Nearest Neighbor Search. (arXiv:2312.03940v1 [cs.DS])

Authors: Shangdi Yu, Joshua Engels, Yihao Huang, Julian Shun

This paper studies density-based clustering of point sets. These methods use dense regions of points to detect clusters of arbitrary shapes. In particular, we study variants of density peaks clustering, a popular type of algorithm that has been shown to work well in practice. Our goal is to cluster large high-dimensional datasets, which are prevalent in practice. Prior solutions are either sequential, and cannot scale to large data, or are specialized for low-dimensional data.

This paper unifies the different variants of density peaks clustering into a single framework, PECANN, by abstracting out several key steps common to this class of algorithms. One such key step is to find nearest neighbors that satisfy a predicate function, and one of the main contributions of this paper is an efficient way to do this predicate search using graph-based approximate nearest neighbor search (ANNS). To provide ample parallelism, we propose a doubling search technique that enables points to find an approximate nearest neighbor satisfying the predicate in a small number of rounds. Our technique can be applied to many existing graph-based ANNS algorithms, which can all be plugged into PECANN.

We implement five clustering algorithms with PECANN and evaluate them on synthetic and real-world datasets with up to 1.28 million points and up to 1024 dimensions on a 30-core machine with two-way hyper-threading. Compared to the state-of-the-art FASTDP algorithm for high-dimensional density peaks clustering, which is sequential, our best algorithm is 45x-734x faster while achieving competitive ARI scores. Compared to the state-of-the-art parallel DPC-based algorithm, which is optimized for low dimensions, we show that PECANN is two orders of magnitude faster. As far as we know, our work is the first to evaluate DPC variants on large high-dimensional real-world image and text embedding datasets.

A Scalable and Generalizable Pathloss Map Prediction. (arXiv:2312.03950v1 [cs.IT])

Authors: Ju-Hyung Lee, Andreas F. Molisch

Large-scale channel prediction, i.e., estimation of the pathloss from geographical/morphological/building maps, is an essential component of wireless network planning. Ray tracing (RT)-based methods have been widely used for many years, but they require significant computational effort that may become prohibitive with the increased network densification and/or use of higher frequencies in B5G/6G systems. In this paper, we propose a data-driven, model-free pathloss map prediction (PMP) method, called PMNet. PMNet uses a supervised learning approach: it is trained on a limited amount of RT (or channel measurement) data and map data. Once trained, PMNet can predict pathloss over location with high accuracy (an RMSE level of $10^{-2}$) in a few milliseconds. We further extend PMNet by employing transfer learning (TL). TL allows PMNet to learn a new network scenario quickly (x5.6 faster training) and efficiently (using x4.5 less data) by transferring knowledge from a pre-trained model, while retaining accuracy. Our results demonstrate that PMNet is a scalable and generalizable ML-based PMP method, showing its potential to be used in several network optimization applications.

Understanding the Role of Optimization in Double Descent. (arXiv:2312.03951v1 [cs.LG])

Authors: Chris Yuhao Liu, Jeffrey Flanigan

The phenomenon of model-wise double descent, where the test error peaks and then reduces as the model size increases, is an interesting topic that has attracted the attention of researchers due to the striking observed gap between theory and practice \citep{Belkin2018ReconcilingMM}. Additionally, while double descent has been observed in various tasks and architectures, the peak of double descent can sometimes be noticeably absent or diminished, even without explicit regularization, such as weight decay and early stopping. In this paper, we investigate this intriguing phenomenon from the optimization perspective and propose a simple optimization-based explanation for why double descent sometimes occurs weakly or not at all. To the best of our knowledge, we are the first to demonstrate that many disparate factors contributing to model-wise double descent (initialization, normalization, batch size, learning rate, optimization algorithm) are unified from the viewpoint of optimization: model-wise double descent is observed if and only if the optimizer can find a sufficiently low-loss minimum. These factors directly affect the condition number of the optimization problem or the optimizer and thus affect the final minimum found by the optimizer, reducing or increasing the height of the double descent peak. We conduct a series of controlled experiments on random feature models and two-layer neural networks under various optimization settings, demonstrating this optimization-based unified view. Our results suggest the following implication: Double descent is unlikely to be a problem for real-world machine learning setups. Additionally, our results help explain the gap between weak double descent peaks in practice and strong peaks observable in carefully designed setups.

PerSival: Neural-network-based visualisation for pervasive continuum-mechanical simulations in musculoskeletal biomechanics. (arXiv:2312.03957v1 [q-bio.TO])

Authors: David Rosin, Johannes Kässinger, Xingyao Yu, Okan Avci, Christian Bleiler, Oliver Röhrle

This paper presents a novel neural network architecture for the purpose of pervasive visualisation of a 3D human upper limb musculoskeletal system model. Bringing simulation capabilities to resource-poor systems like mobile devices is of growing interest across many research fields, to widen applicability of methods and results. Until recently, this goal was thought to be out of reach for realistic continuum-mechanical simulations of musculoskeletal systems, due to prohibitive computational cost. Within this work we use a sparse grid surrogate to capture the surface deformation of the m.~biceps brachii in order to train a deep learning model, used for real-time visualisation of the same muscle. Both these surrogate models take 5 muscle activation levels as input and output Cartesian coordinate vectors for each mesh node on the muscle's surface. Thus, the neural network architecture features a significantly lower input than output dimension. 5 muscle activation levels were sufficient to achieve an average error of 0.97 +/- 0.16 mm, or 0.57 +/- 0.10 % for the 2809 mesh node positions of the biceps. The model achieved evaluation times of 9.88 ms per predicted deformation state on CPU only and 3.48 ms with GPU-support, leading to theoretical frame rates of 101 fps and 287 fps respectively. Deep learning surrogates thus provide a way to make continuum-mechanical simulations accessible for visual real-time applications.

Node-aware Bi-smoothing: Certified Robustness against Graph Injection Attacks. (arXiv:2312.03979v1 [cs.LG])

Authors: Yuni Lai, Yulin Zhu, Bailin Pan, Kai Zhou

Deep Graph Learning (DGL) has emerged as a crucial technique across various domains. However, recent studies have exposed vulnerabilities in DGL models, such as susceptibility to evasion and poisoning attacks. While empirical and provable robustness techniques have been developed to defend against graph modification attacks (GMAs), the problem of certified robustness against graph injection attacks (GIAs) remains largely unexplored. To bridge this gap, we introduce the node-aware bi-smoothing framework, which is the first certifiably robust approach for general node classification tasks against GIAs. Notably, the proposed node-aware bi-smoothing scheme is model-agnostic and is applicable for both evasion and poisoning attacks. Through rigorous theoretical analysis, we establish the certifiable conditions of our smoothing scheme. We also explore the practical implications of our node-aware bi-smoothing schemes in two contexts: as an empirical defense approach against real-world GIAs and in the context of recommendation systems. Furthermore, we extend two state-of-the-art certified robustness frameworks to address node injection attacks and compare our approach against them. Extensive evaluations demonstrate the effectiveness of our proposed certificates.

Rapid detection of rare events from in situ X-ray diffraction data using machine learning. (arXiv:2312.03989v1 [cs.LG])

Authors: Weijian Zheng, Jun-Sang Park, Peter Kenesei, Ahsan Ali, Zhengchun Liu, Ian T. Foster, Nicholas Schwarz, Rajkumar Kettimuthu, Antonino Miceli, Hemant Sharma

High-energy X-ray diffraction methods can non-destructively map the 3D microstructure and associated attributes of metallic polycrystalline engineering materials in their bulk form. These methods are often combined with external stimuli such as thermo-mechanical loading to take snapshots over time of the evolving microstructure and attributes. However, the extreme data volumes and the high costs of traditional data acquisition and reduction approaches pose a barrier to quickly extracting actionable insights and improving the temporal resolution of these snapshots. Here we present a fully automated technique capable of rapidly detecting the onset of plasticity in high-energy X-ray microscopy data. Our technique is computationally faster by at least 50 times than the traditional approaches and works for data sets that are up to 9 times sparser than a full data set. This new technique leverages self-supervised image representation learning and clustering to transform massive data into compact, semantic-rich representations of visually salient characteristics (e.g., peak shapes). These characteristics can be a rapid indicator of anomalous events such as changes in diffraction peak shapes. We anticipate that this technique will provide just-in-time actionable information to drive smarter experiments that effectively deploy multi-modal X-ray diffraction methods that span many decades of length scales.

MICRO: Model-Based Offline Reinforcement Learning with a Conservative Bellman Operator. (arXiv:2312.03991v1 [cs.LG])

Authors: Xiao-Yin Liu, Xiao-Hu Zhou, Guo-Tao Li, Hao Li, Mei-Jiang Gui, Tian-Yu Xiang, De-Xing Huang, Zeng-Guang Hou

Offline reinforcement learning (RL) faces a significant challenge of distribution shift. Model-free offline RL penalizes the Q value for out-of-distribution (OOD) data or constrains the policy closed to the behavior policy to tackle this problem, but this inhibits the exploration of the OOD region. Model-based offline RL, which uses the trained environment model to generate more OOD data and performs conservative policy optimization within that model, has become an effective method for this problem. However, the current model-based algorithms rarely consider agent robustness when incorporating conservatism into policy. Therefore, the new model-based offline algorithm with a conservative Bellman operator (MICRO) is proposed. This method trades off performance and robustness via introducing the robust Bellman operator into the algorithm. Compared with previous model-based algorithms with robust adversarial models, MICRO can significantly reduce the computation cost by only choosing the minimal Q value in the state uncertainty set. Extensive experiments demonstrate that MICRO outperforms prior RL algorithms in offline RL benchmark and is considerably robust to adversarial perturbations.

Series2Vec: Similarity-based Self-supervised Representation Learning for Time Series Classification. (arXiv:2312.03998v1 [cs.LG])

Authors: Navid Mohammadi Foumani, Chang Wei Tan, Geoffrey I. Webb, Mahsa Salehi

We argue that time series analysis is fundamentally different in nature to either vision or natural language processing with respect to the forms of meaningful self-supervised learning tasks that can be defined. Motivated by this insight, we introduce a novel approach called \textit{Series2Vec} for self-supervised representation learning. Unlike other self-supervised methods in time series, which carry the risk of positive sample variants being less similar to the anchor sample than series in the negative set, Series2Vec is trained to predict the similarity between two series in both temporal and spectral domains through a self-supervised task. Series2Vec relies primarily on the consistency of the unsupervised similarity step, rather than the intrinsic quality of the similarity measurement, without the need for hand-crafted data augmentation. To further enforce the network to learn similar representations for similar time series, we propose a novel approach that applies order-invariant attention to each representation within the batch during training. Our evaluation of Series2Vec on nine large real-world datasets, along with the UCR/UEA archive, shows enhanced performance compared to current state-of-the-art self-supervised techniques for time series. Additionally, our extensive experiments show that Series2Vec performs comparably with fully supervised training and offers high efficiency in datasets with limited-labeled data. Finally, we show that the fusion of Series2Vec with other representation learning models leads to enhanced performance for time series classification. Code and models are open-source at \url{https://github.com/Navidfoumani/Series2Vec.}

LiDAR: Sensing Linear Probing Performance in Joint Embedding SSL Architectures. (arXiv:2312.04000v1 [cs.LG])

Authors: Vimal Thilak, Chen Huang, Omid Saremi, Laurent Dinh, Hanlin Goh, Preetum Nakkiran, Joshua M. Susskind, Etai Littwin

Joint embedding (JE) architectures have emerged as a promising avenue for acquiring transferable data representations. A key obstacle to using JE methods, however, is the inherent challenge of evaluating learned representations without access to a downstream task, and an annotated dataset. Without efficient and reliable evaluation, it is difficult to iterate on architectural and training choices for JE methods. In this paper, we introduce LiDAR (Linear Discriminant Analysis Rank), a metric designed to measure the quality of representations within JE architectures. Our metric addresses several shortcomings of recent approaches based on feature covariance rank by discriminating between informative and uninformative features. In essence, LiDAR quantifies the rank of the Linear Discriminant Analysis (LDA) matrix associated with the surrogate SSL task -- a measure that intuitively captures the information content as it pertains to solving the SSL task. We empirically demonstrate that LiDAR significantly surpasses naive rank based approaches in its predictive power of optimal hyperparameters. Our proposed criterion presents a more robust and intuitive means of assessing the quality of representations within JE architectures, which we hope facilitates broader adoption of these powerful techniques in various domains.

A Study on the Calibration of In-context Learning. (arXiv:2312.04021v1 [cs.CL])

Authors: Hanlin Zhang, Yi-Fan Zhang, Yaodong Yu, Dhruv Madeka, Dean Foster, Eric Xing, Hima Lakkaraju, Sham Kakade

Modern auto-regressive language models are trained to minimize log loss on broad data by predicting the next token so they are expected to get calibrated answers when framing a problem as a next-token prediction task. We study this for in-context learning (ICL), a widely used way to adapt frozen large language models (LLMs) via crafting prompts, and investigate the trade-offs between performance and calibration on a wide range of natural language understanding and reasoning tasks. We conduct extensive experiments to show that such trade-offs may get worse as we increase model size, incorporate more ICL examples, and fine-tune models using instruction, dialog, or reinforcement learning from human feedback (RLHF) on carefully curated datasets. Furthermore, we find that common recalibration techniques that are widely effective such as temperature scaling provide limited gains in calibration errors, suggesting that new methods may be required for settings where models are expected to be reliable.

k* Distribution: Evaluating the Latent Space of Deep Neural Networks using Local Neighborhood Analysis. (arXiv:2312.04024v1 [cs.LG])

Authors: Shashank Kotyan, Ueda Tatsuya, Danilo Vasconcellos Vargas

Most examinations of neural networks' learned latent spaces typically employ dimensionality reduction techniques such as t-SNE or UMAP. While these methods effectively capture the overall sample distribution in the entire learned latent space, they tend to distort the structure of sample distributions within specific classes in the subset of the latent space. This distortion complicates the task of easily distinguishing classes identifiable by neural networks. In response to this challenge, we introduce the k* Distribution methodology. This approach focuses on capturing the characteristics and structure of sample distributions for individual classes within the subset of the learned latent space using local neighborhood analysis. The key concept is to facilitate easy comparison of different k* distributions, enabling analysis of how various classes are processed by the same neural network. This provides a more profound understanding of existing contemporary visualizations. Our study reveals three distinct distributions of samples within the learned latent space subset: a) Fractured, b) Overlapped, and c) Clustered. We note and demonstrate that the distribution of samples within the network's learned latent space significantly varies depending on the class. Furthermore, we illustrate that our analysis can be applied to explore the latent space of diverse neural network architectures, various layers within neural networks, transformations applied to input samples, and the distribution of training and testing data for neural networks. We anticipate that our approach will facilitate more targeted investigations into neural networks by collectively examining the distribution of different samples within the learned latent space.

The sample complexity of multi-distribution learning. (arXiv:2312.04027v1 [cs.LG])

Authors: Binghui Peng

Multi-distribution learning generalizes the classic PAC learning to handle data coming from multiple distributions. Given a set of $k$ data distributions and a hypothesis class of VC dimension $d$, the goal is to learn a hypothesis that minimizes the maximum population loss over $k$ distributions, up to $\epsilon$ additive error. In this paper, we settle the sample complexity of multi-distribution learning by giving an algorithm of sample complexity $\widetilde{O}((d+k)\epsilon^{-2}) \cdot (k/\epsilon)^{o(1)}$. This matches the lower bound up to sub-polynomial factor and resolves the COLT 2023 open problem of Awasthi, Haghtalab and Zhao [AHZ23].

Modeling Boundedly Rational Agents with Latent Inference Budgets. (arXiv:2312.04030v1 [cs.AI])

Authors: Athul Paul Jacob, Abhishek Gupta, Jacob Andreas

We study the problem of modeling a population of agents pursuing unknown goals subject to unknown computational constraints. In standard models of bounded rationality, sub-optimal decision-making is simulated by adding homoscedastic noise to optimal decisions rather than explicitly simulating constrained inference. In this work, we introduce a latent inference budget model (L-IBM) that models agents' computational constraints explicitly, via a latent variable (inferred jointly with a model of agents' goals) that controls the runtime of an iterative inference algorithm. L-IBMs make it possible to learn agent models using data from diverse populations of suboptimal actors. In three modeling tasks -- inferring navigation goals from routes, inferring communicative intents from human utterances, and predicting next moves in human chess games -- we show that L-IBMs match or outperform Boltzmann models of decision-making under uncertainty. Inferred inference budgets are themselves meaningful, efficient to compute, and correlated with measures of player skill, partner skill and task difficulty.

RoAST: Robustifying Language Models via Adversarial Perturbation with Selective Training. (arXiv:2312.04032v1 [cs.CL])

Authors: Jaehyung Kim, Yuning Mao, Rui Hou, Hanchao Yu, Davis Liang, Pascale Fung, Qifan Wang, Fuli Feng, Lifu Huang, Madian Khabsa

Fine-tuning pre-trained language models (LMs) has become the de facto standard in many NLP tasks. Nevertheless, fine-tuned LMs are still prone to robustness issues, such as adversarial robustness and model calibration. Several perspectives of robustness for LMs have been studied independently, but lacking a unified consideration in multiple perspectives. In this paper, we propose Robustifying LMs via Adversarial perturbation with Selective Training (RoAST), a simple yet effective fine-tuning technique to enhance the multi-perspective robustness of LMs in a unified way. RoAST effectively incorporates two important sources for the model robustness, robustness on the perturbed inputs and generalizable knowledge in pre-trained LMs. To be specific, RoAST introduces adversarial perturbation during fine-tuning while the model parameters are selectively updated upon their relative importance to minimize unnecessary deviation. Under a unified evaluation of fine-tuned LMs by incorporating four representative perspectives of model robustness, we demonstrate the effectiveness of RoAST compared to state-of-the-art fine-tuning methods on six different types of LMs, which indicates its usefulness in practice.

DiffusionPhase: Motion Diffusion in Frequency Domain. (arXiv:2312.04036v1 [cs.CV])

Authors: Weilin Wan, Yiming Huang, Shutong Wu, Taku Komura, Wenping Wang, Dinesh Jayaraman, Lingjie Liu

In this study, we introduce a learning-based method for generating high-quality human motion sequences from text descriptions (e.g., ``A person walks forward"). Existing techniques struggle with motion diversity and smooth transitions in generating arbitrary-length motion sequences, due to limited text-to-motion datasets and the pose representations used that often lack expressiveness or compactness. To address these issues, we propose the first method for text-conditioned human motion generation in the frequency domain of motions. We develop a network encoder that converts the motion space into a compact yet expressive parameterized phase space with high-frequency details encoded, capturing the local periodicity of motions in time and space with high accuracy. We also introduce a conditional diffusion model for predicting periodic motion parameters based on text descriptions and a start pose, efficiently achieving smooth transitions between motion sequences associated with different text descriptions. Experiments demonstrate that our approach outperforms current methods in generating a broader variety of high-quality motions, and synthesizing long sequences with natural transitions.

Reconstruction of dynamical systems from data without time labels. (arXiv:2312.04038v1 [cs.LG])

Authors: Zhijun Zeng, Pipi Hu, Chenglong Bao, Yi Zhu, Zuoqiang Shi

In this paper, we study the method to reconstruct dynamical systems from data without time labels. Data without time labels appear in many applications, such as molecular dynamics, single-cell RNA sequencing etc. Reconstruction of dynamical system from time sequence data has been studied extensively. However, these methods do not apply if time labels are unknown. Without time labels, sequence data becomes distribution data. Based on this observation, we propose to treat the data as samples from a probability distribution and try to reconstruct the underlying dynamical system by minimizing the distribution loss, sliced Wasserstein distance more specifically. Extensive experiment results demonstrate the effectiveness of the proposed method.

Jointly spatial-temporal representation learning for individual trajectories. (arXiv:2312.04055v1 [cs.LG])

Authors: Fei Huang, Jianrong Lv, Yang Yue

Individual trajectories, containing substantial information on human-environment interactions across space and time, is a crucial input for geospatial foundation models (GeoFMs). However, existing attempts, leveraging trajectory data for various applications have overlooked the implicit spatial-temporal dependency within trajectories and failed to encode and represent it in a format friendly to deep learning, posing a challenge in obtaining general-purpose trajectory representations. Therefore, this paper proposes a spatial-temporal joint representation learning method (ST-GraphRL) to formalize learnable spatial-temporal dependencies into trajectory representations. The proposed ST-GraphRL consists of three compositions: (i) a weighted directed spatial-temporal graph to explicitly construct mobility interactions over both space and time dimensions; (ii) a two-stage jointly encoder (i.e., decoupling and fusion) to learn entangled spatial-temporal dependencies by independently decomposing and jointly aggregating space and time information; (iii) a decoder guides ST-GraphRL to learn explicit mobility regularities by simulating the spatial-temporal distributions of trajectories. Tested on three real-world human mobility datasets, the proposed ST-GraphRL outperformed all the baseline models in predicting movement spatial-temporal distributions and preserving trajectory similarity with high spatial-temporal correlations. We also explore how spatial-temporal features presented in latent space, validating that ST-GraphRL understands spatial-temporal patterns. This method is also transferable for general-purpose geospatial data representations for broad downstream tasks, as well advancing GeoFMs developing.

DiscoBAX: Discovery of Optimal Intervention Sets in Genomic Experiment Design. (arXiv:2312.04064v1 [q-bio.QM])

Authors: Clare Lyle, Arash Mehrjou, Pascal Notin, Andrew Jesson, Stefan Bauer, Yarin Gal, Patrick Schwab

The discovery of therapeutics to treat genetically-driven pathologies relies on identifying genes involved in the underlying disease mechanisms. Existing approaches search over the billions of potential interventions to maximize the expected influence on the target phenotype. However, to reduce the risk of failure in future stages of trials, practical experiment design aims to find a set of interventions that maximally change a target phenotype via diverse mechanisms. We propose DiscoBAX, a sample-efficient method for maximizing the rate of significant discoveries per experiment while simultaneously probing for a wide range of diverse mechanisms during a genomic experiment campaign. We provide theoretical guarantees of approximate optimality under standard assumptions, and conduct a comprehensive experimental evaluation covering both synthetic as well as real-world experimental design tasks. DiscoBAX outperforms existing state-of-the-art methods for experimental design, selecting effective and diverse perturbations in biological systems.

A Robust and Efficient Boundary Point Detection Method by Measuring Local Direction Dispersion. (arXiv:2312.04065v1 [cs.LG])

Authors: Dehua Peng, Zhipeng Gui, Huayi Wu

Boundary points pose a significant challenge for machine learning tasks, including classification, clustering, and dimensionality reduction. Due to the similarity of features, boundary areas can result in mixed-up classes or clusters, leading to a crowding problem in dimensionality reduction. To address this challenge, numerous boundary point detection methods have been developed, but they are insufficiently to accurately and efficiently identify the boundary points in non-convex structures and high-dimensional manifolds. In this work, we propose a robust and efficient method for detecting boundary points using Local Direction Dispersion (LoDD). LoDD considers that internal points are surrounded by neighboring points in all directions, while neighboring points of a boundary point tend to be distributed only in a certain directional range. LoDD adopts a density-independent K-Nearest Neighbors (KNN) method to determine neighboring points, and defines a statistic-based metric using the eigenvalues of the covariance matrix of KNN coordinates to measure the centrality of a query point. We demonstrated the validity of LoDD on five synthetic datasets (2-D and 3-D) and ten real-world benchmarks, and tested its clustering performance by equipping with two typical clustering methods, K-means and Ncut. Our results show that LoDD achieves promising and robust detection accuracy in a time-efficient manner.

MeanCut: A Greedy-Optimized Graph Clustering via Path-based Similarity and Degree Descent Criterion. (arXiv:2312.04067v1 [cs.LG])

Authors: Dehua Peng, Zhipeng Gui, Huayi Wu

As the most typical graph clustering method, spectral clustering is popular and attractive due to the remarkable performance, easy implementation, and strong adaptability. Classical spectral clustering measures the edge weights of graph using pairwise Euclidean-based metric, and solves the optimal graph partition by relaxing the constraints of indicator matrix and performing Laplacian decomposition. However, Euclidean-based similarity might cause skew graph cuts when handling non-spherical data distributions, and the relaxation strategy introduces information loss. Meanwhile, spectral clustering requires specifying the number of clusters, which is hard to determine without enough prior knowledge. In this work, we leverage the path-based similarity to enhance intra-cluster associations, and propose MeanCut as the objective function and greedily optimize it in degree descending order for a nondestructive graph partition. This algorithm enables the identification of arbitrary shaped clusters and is robust to noise. To reduce the computational complexity of similarity calculation, we transform optimal path search into generating the maximum spanning tree (MST), and develop a fast MST (FastMST) algorithm to further improve its time-efficiency. Moreover, we define a density gradient factor (DGF) for separating the weakly connected clusters. The validity of our algorithm is demonstrated by testifying on real-world benchmarks and application of face recognition. The source code of MeanCut is available at https://github.com/ZPGuiGroupWhu/MeanCut-Clustering.

Making Translators Privacy-aware on the User's Side. (arXiv:2312.04068v1 [cs.CR])

Authors: Ryoma Sato

We propose PRISM to enable users of machine translation systems to preserve the privacy of data on their own initiative. There is a growing demand to apply machine translation systems to data that require privacy protection. While several machine translation engines claim to prioritize privacy, the extent and specifics of such protection are largely ambiguous. First, there is often a lack of clarity on how and to what degree the data is protected. Even if service providers believe they have sufficient safeguards in place, sophisticated adversaries might still extract sensitive information. Second, vulnerabilities may exist outside of these protective measures, such as within communication channels, potentially leading to data leakage. As a result, users are hesitant to utilize machine translation engines for data demanding high levels of privacy protection, thereby missing out on their benefits. PRISM resolves this problem. Instead of relying on the translation service to keep data safe, PRISM provides the means to protect data on the user's side. This approach ensures that even machine translation engines with inadequate privacy measures can be used securely. For platforms already equipped with privacy safeguards, PRISM acts as an additional protection layer, reinforcing their security furthermore. PRISM adds these privacy features without significantly compromising translation accuracy. Our experiments demonstrate the effectiveness of PRISM using real-world translators, T5 and ChatGPT (GPT-3.5-turbo), and the datasets with two languages. PRISM effectively balances privacy protection with translation accuracy.

A Transformer Model for Symbolic Regression towards Scientific Discovery. (arXiv:2312.04070v1 [cs.LG])

Authors: Florian Lalande, Yoshitomo Matsubara, Naoya Chiba, Tatsunori Taniai, Ryo Igarashi, Yoshitala Ushiku

Symbolic Regression (SR) searches for mathematical expressions which best describe numerical datasets. This allows to circumvent interpretation issues inherent to artificial neural networks, but SR algorithms are often computationally expensive. This work proposes a new Transformer model aiming at Symbolic Regression particularly focused on its application for Scientific Discovery. We propose three encoder architectures with increasing flexibility but at the cost of column-permutation equivariance violation. Training results indicate that the most flexible architecture is required to prevent from overfitting. Once trained, we apply our best model to the SRSD datasets (Symbolic Regression for Scientific Discovery datasets) which yields state-of-the-art results using the normalized tree-based edit distance, at no extra computational cost.

On the adaptation of in-context learners for system identification. (arXiv:2312.04083v1 [cs.LG])

Authors: Dario Piga, Filippo Pura, Marco Forgione

In-context system identification aims at constructing meta-models to describe classes of systems, differently from traditional approaches that model single systems. This paradigm facilitates the leveraging of knowledge acquired from observing the behaviour of different, yet related dynamics. This paper discusses the role of meta-model adaptation. Through numerical examples, we demonstrate how meta-model adaptation can enhance predictive performance in three realistic scenarios: tailoring the meta-model to describe a specific system rather than a class; extending the meta-model to capture the behaviour of systems beyond the initial training class; and recalibrating the model for new prediction tasks. Results highlight the effectiveness of meta-model adaptation to achieve a more robust and versatile meta-learning framework for system identification.

Learn to Unlearn for Deep Neural Networks: Minimizing Unlearning Interference with Gradient Projection. (arXiv:2312.04095v1 [cs.LG])

Authors: Tuan Hoang, Santu Rana, Sunil Gupta, Svetha Venkatesh

Recent data-privacy laws have sparked interest in machine unlearning, which involves removing the effect of specific training samples from a learnt model as if they were never present in the original training dataset. The challenge of machine unlearning is to discard information about the ``forget'' data in the learnt model without altering the knowledge about the remaining dataset and to do so more efficiently than the naive retraining approach. To achieve this, we adopt a projected-gradient based learning method, named as Projected-Gradient Unlearning (PGU), in which the model takes steps in the orthogonal direction to the gradient subspaces deemed unimportant for the retaining dataset, so as to its knowledge is preserved. By utilizing Stochastic Gradient Descent (SGD) to update the model weights, our method can efficiently scale to any model and dataset size. We provide empirically evidence to demonstrate that our unlearning method can produce models that behave similar to models retrained from scratch across various metrics even when the training dataset is no longer accessible. Our code is available at https://github.com/hnanhtuan/projected_gradient_unlearning.

Enhancing the Rationale-Input Alignment for Self-explaining Rationalization. (arXiv:2312.04103v1 [cs.AI])

Authors: Wei Liu, Haozhao Wang, Jun Wang, Zhiying Deng, YuanKai Zhang, Cheng Wang, Ruixuan Li

Rationalization empowers deep learning models with self-explaining capabilities through a cooperative game, where a generator selects a semantically consistent subset of the input as a rationale, and a subsequent predictor makes predictions based on the selected rationale. In this paper, we discover that rationalization is prone to a problem named \emph{rationale shift}, which arises from the algorithmic bias of the cooperative game. Rationale shift refers to a situation where the semantics of the selected rationale may deviate from the original input, but the predictor still produces accurate predictions based on the deviation, resulting in a compromised generator with misleading feedback.

To address this issue, we first demonstrate the importance of the alignment between the rationale and the full input through both empirical observations and theoretical analysis. Subsequently, we introduce a novel approach called DAR (\textbf{D}iscriminatively \textbf{A}ligned \textbf{R}ationalization), which utilizes an auxiliary module pretrained on the full input to discriminatively align the selected rationale and the original input. We theoretically illustrate how DAR accomplishes the desired alignment, thereby overcoming the rationale shift problem. The experiments on two widely used real-world benchmarks show that the proposed method significantly improves the explanation quality (measured by the overlap between the model-selected explanation and the human-annotated rationale) as compared to state-of-the-art techniques. Additionally, results on two synthetic settings further validate the effectiveness of DAR in addressing the rationale shift problem.

Small Area Estimation of Case Growths for Timely COVID-19 Outbreak Detection. (arXiv:2312.04110v1 [stat.ML])

Authors: Zhaowei She, Zilong Wang, Jagpreet Chhatwal, Turgay Ayer

The COVID-19 pandemic has exerted a profound impact on the global economy and continues to exact a significant toll on human lives. The COVID-19 case growth rate stands as a key epidemiological parameter to estimate and monitor for effective detection and containment of the resurgence of outbreaks. A fundamental challenge in growth rate estimation and hence outbreak detection is balancing the accuracy-speed tradeoff, where accuracy typically degrades with shorter fitting windows. In this paper, we develop a machine learning (ML) algorithm, which we call Transfer Learning Generalized Random Forest (TLGRF), that balances this accuracy-speed tradeoff. Specifically, we estimate the instantaneous COVID-19 exponential growth rate for each U.S. county by using TLGRF that chooses an adaptive fitting window size based on relevant day-level and county-level features affecting the disease spread. Through transfer learning, TLGRF can accurately estimate case growth rates for counties with small sample sizes. Out-of-sample prediction analysis shows that TLGRF outperforms established growth rate estimation methods. Furthermore, we conducted a case study based on outbreak case data from the state of Colorado and showed that the timely detection of outbreaks could have been improved by up to 224% using TLGRF when compared to the decisions made by Colorado's Department of Health and Environment (CDPHE). To facilitate implementation, we have developed a publicly available outbreak detection tool for timely detection of COVID-19 outbreaks in each U.S. county, which received substantial attention from policymakers.

Breaking the Entanglement of Homophily and Heterophily in Semi-supervised Node Classification. (arXiv:2312.04111v1 [cs.LG])

Authors: Henan Sun, Xunkai Li, Zhengyu Wu, Daohan Su, Rong-Hua Li, Guoren Wang

Recently, graph neural networks (GNNs) have shown prominent performance in semi-supervised node classification by leveraging knowledge from the graph database. However, most existing GNNs follow the homophily assumption, where connected nodes are more likely to exhibit similar feature distributions and the same labels, and such an assumption has proven to be vulnerable in a growing number of practical applications. As a supplement, heterophily reflects dissimilarity in connected nodes, which has gained significant attention in graph learning. To this end, data engineers aim to develop a powerful GNN model that can ensure performance under both homophily and heterophily. Despite numerous attempts, most existing GNNs struggle to achieve optimal node representations due to the constraints of undirected graphs. The neglect of directed edges results in sub-optimal graph representations, thereby hindering the capacity of GNNs. To address this issue, we introduce AMUD, which quantifies the relationship between node profiles and topology from a statistical perspective, offering valuable insights for \underline{A}daptively \underline{M}odeling the natural directed graphs as the \underline{U}ndirected or \underline{D}irected graph to maximize the benefits from subsequent graph learning. Furthermore, we propose \underline{A}daptive \underline{D}irected \underline{P}attern \underline{A}ggregation (ADPA) as a new directed graph learning paradigm for AMUD. Empirical studies have demonstrated that AMUD guides efficient graph learning. Meanwhile, extensive experiments on 14 benchmark datasets substantiate the impressive performance of ADPA, outperforming baselines by significant margins of 3.96\%.

Caregiver Talk Shapes Toddler Vision: A Computational Study of Dyadic Play. (arXiv:2312.04118v1 [cs.CV])

Authors: Timothy Schaumlöffel, Arthur Aubret, Gemma Roig, Jochen Triesch

Infants' ability to recognize and categorize objects develops gradually. The second year of life is marked by both the emergence of more semantic visual representations and a better understanding of word meaning. This suggests that language input may play an important role in shaping visual representations. However, even in suitable contexts for word learning like dyadic play sessions, caregivers utterances are sparse and ambiguous, often referring to objects that are different from the one to which the child attends. Here, we systematically investigate to what extent caregivers' utterances can nevertheless enhance visual representations. For this we propose a computational model of visual representation learning during dyadic play. We introduce a synthetic dataset of ego-centric images perceived by a toddler-agent that moves and rotates toy objects in different parts of its home environment while hearing caregivers' utterances, modeled as captions. We propose to model toddlers' learning as simultaneously aligning representations for 1) close-in-time images and 2) co-occurring images and utterances. We show that utterances with statistics matching those of real caregivers give rise to representations supporting improved category recognition. Our analysis reveals that a small decrease/increase in object-relevant naming frequencies can drastically impact the learned representations. This affects the attention on object names within an utterance, which is required for efficient visuo-linguistic alignment. Overall, our results support the hypothesis that caregivers' naming utterances can improve toddlers' visual representations.

A Novel Federated Learning-based Intrusion Detection System for Flying Ad Hoc Networks. (arXiv:2312.04135v1 [cs.CR])

Authors: Ozlem Ceviz (1), Pinar Sadioglu (1), Sevil Sen (1), Vassilios G. Vassilakis (2) ((1) WISE Lab., Deparment of Computer Engineering, Hacettepe University, Ankara, Turkey (2) Department of Computer Science, University of York, York, United Kingdom)

Unmanned aerial vehicles (UAVs) in flying ad-hoc networks (FANETs) face security challenges due to the dynamic and distributed nature of these networks. This paper presents the Federated Learning-based Intrusion Detection System (FL-IDS), an innovative approach designed to improve FANET security. FL-IDS leverages federated learning to address privacy concerns of centralized intrusion detection systems. FL-IDS operates in a decentralized manner, enabling UAVs to collaboratively train a global intrusion detection model without sharing raw data. Local models are assigned to each UAV, using client-specific data, and only updated model weights are shared with a central server. This preserves privacy while utilizing collective intelligence for effective intrusion detection. Experimental results show FL-IDS's competitive performance with Central IDS (C-IDS) while mitigating privacy concerns. The Bias Towards Specific Clients (BTSC) method further enhances FL-IDS performance, surpassing C-IDS even at lower attacker ratios. A comparative analysis with traditional intrusion detection methods, including Local IDS (L-IDS), provides insights into FL-IDS's strengths. This study significantly contributes to FANET security by introducing a privacy-aware, decentralized intrusion detection approach tailored to the unique challenges of UAV networks.

TimeDRL: Disentangled Representation Learning for Multivariate Time-Series. (arXiv:2312.04142v1 [cs.LG])

Authors: Ching Chang, Chiao-Tung Chan, Wei-Yao Wang, Wen-Chih Peng, Tien-Fu Chen

Multivariate time-series data in numerous real-world applications (e.g., healthcare and industry) are informative but challenging due to the lack of labels and high dimensionality. Recent studies in self-supervised learning have shown their potential in learning rich representations without relying on labels, yet they fall short in learning disentangled embeddings and addressing issues of inductive bias (e.g., transformation-invariance). To tackle these challenges, we propose TimeDRL, a generic multivariate time-series representation learning framework with disentangled dual-level embeddings. TimeDRL is characterized by three novel features: (i) disentangled derivation of timestamp-level and instance-level embeddings from patched time-series data using a [CLS] token strategy; (ii) utilization of timestamp-predictive and instance-contrastive tasks for disentangled representation learning, with the former optimizing timestamp-level embeddings with predictive loss, and the latter optimizing instance-level embeddings with contrastive loss; and (iii) avoidance of augmentation methods to eliminate inductive biases, such as transformation-invariance from cropping and masking. Comprehensive experiments on 6 time-series forecasting datasets and 5 time-series classification datasets have shown that TimeDRL consistently surpasses existing representation learning approaches, achieving an average improvement of forecasting by 57.98% in MSE and classification by 1.25% in accuracy. Furthermore, extensive ablation studies confirmed the relative contribution of each component in TimeDRL's architecture, and semi-supervised learning evaluations demonstrated its effectiveness in real-world scenarios, even with limited labeled data.

Diffusing Colors: Image Colorization with Text Guided Diffusion. (arXiv:2312.04145v1 [cs.CV])

Authors: Nir Zabari, Aharon Azulay, Alexey Gorkor, Tavi Halperin, Ohad Fried

The colorization of grayscale images is a complex and subjective task with significant challenges. Despite recent progress in employing large-scale datasets with deep neural networks, difficulties with controllability and visual quality persist. To tackle these issues, we present a novel image colorization framework that utilizes image diffusion techniques with granular text prompts. This integration not only produces colorization outputs that are semantically appropriate but also greatly improves the level of control users have over the colorization process. Our method provides a balance between automation and control, outperforming existing techniques in terms of visual quality and semantic coherence. We leverage a pretrained generative Diffusion Model, and show that we can finetune it for the colorization task without losing its generative power or attention to text prompts. Moreover, we present a novel CLIP-based ranking model that evaluates color vividness, enabling automatic selection of the most suitable level of vividness based on the specific scene semantics. Our approach holds potential particularly for color enhancement and historical image colorization.

Resource Allocation for Semantic Communication under Physical-layer Security. (arXiv:2312.04155v1 [eess.SP])

Authors: Yang Li, Xinyu Zhou, Jun Zhao

Semantic communication is deemed as a revolution of Shannon's paradigm in the six-generation (6G) wireless networks. It aims at transmitting the extracted information rather than the original data, which receivers will try to recover. Intuitively, the larger extracted information, the longer latency of semantic communication will be. Besides, larger extracted information will result in more accurate reconstructed information, thereby causing a higher utility of the semantic communication system. Shorter latency and higher utility are desirable objectives for the system, so there will be a trade-off between utility and latency. This paper proposes a joint optimization algorithm for total latency and utility. Moreover, security is essential for the semantic communication system. We incorporate the secrecy rate, a physical-layer security method, into the optimization problem. The secrecy rate is the communication rate at which no information is disclosed to an eavesdropper. Experimental results demonstrate that the proposed algorithm obtains the best joint optimization performance compared to the baselines.

Zero-Touch Networks: Towards Next-Generation Network Automation. (arXiv:2312.04159v1 [cs.NI])

Authors: Mirna El Rajab, Li Yang, Abdallah Shami

The Zero-touch network and Service Management (ZSM) framework represents an emerging paradigm in the management of the fifth-generation (5G) and Beyond (5G+) networks, offering automated self-management and self-healing capabilities to address the escalating complexity and the growing data volume of modern networks. ZSM frameworks leverage advanced technologies such as Machine Learning (ML) to enable intelligent decision-making and reduce human intervention. This paper presents a comprehensive survey of Zero-Touch Networks (ZTNs) within the ZSM framework, covering network optimization, traffic monitoring, energy efficiency, and security aspects of next-generational networks. The paper explores the challenges associated with ZSM, particularly those related to ML, which necessitate the need to explore diverse network automation solutions. In this context, the study investigates the application of Automated ML (AutoML) in ZTNs, to reduce network management costs and enhance performance. AutoML automates the selection and tuning process of a ML model for a given task. Specifically, the focus is on AutoML's ability to predict application throughput and autonomously adapt to data drift. Experimental results demonstrate the superiority of the proposed AutoML pipeline over traditional ML in terms of prediction accuracy. Integrating AutoML and ZSM concepts significantly reduces network configuration and management efforts, allowing operators to allocate more time and resources to other important tasks. The paper also provides a high-level 5G system architecture incorporating AutoML and ZSM concepts. This research highlights the potential of ZTNs and AutoML to revolutionize the management of 5G+ networks, enabling automated decision-making and empowering network operators to achieve higher efficiency, improved performance, and enhanced user experience.

Multi-scale Residual Transformer for VLF Lightning Transients Classification. (arXiv:2312.04163v1 [stat.ML])

Authors: Jinghao Sun, Tingting Ji, Guoyu Wang, Rui Wang

The utilization of Very Low Frequency (VLF) electromagnetic signals in navigation systems is widespread. However, the non-stationary behavior of lightning signals can affect VLF electromagnetic signal transmission. Accurately classifying lightning signals is important for reducing interference and noise in VLF, thereby improving the reliability and overall performance of navigation systems. In recent years, the evolution of deep learning, specifically Convolutional Neural Network (CNNs), has sparked a transformation in lightning classification, surpassing traditional statistical methodologies. Existing CNN models have limitations as they overlook the diverse attributes of lightning signals across different scales and neglect the significance of temporal sequencing in sequential signals. This study introduces an innovative multi-scale residual transform (MRTransformer) that not only has the ability to discern intricate fine-grained patterns while also weighing the significance of different aspects within the input lightning signal sequence. This model performs the attributes of the lightning signal across different scales and the level of accuracy reached 90% in the classification. In future work, this model has the potential applied to a comprehensive understanding of the localization and waveform characteristics of lightning signals.

Improving Communication Efficiency of Federated Distillation via Accumulating Local Updates. (arXiv:2312.04166v1 [cs.LG])

Authors: Zhiyuan Wu, Sheng Sun, Yuwei Wang, Min Liu, Tian Wen, Wen Wang

As an emerging federated learning paradigm, federated distillation enables communication-efficient model training by transmitting only small-scale knowledge during the learning process. To further improve the communication efficiency of federated distillation, we propose a novel technique, ALU, which accumulates multiple rounds of local updates before transferring the knowledge to the central server. ALU drastically decreases the frequency of communication in federated distillation, thereby significantly reducing the communication overhead during the training process. Empirical experiments demonstrate the substantial effect of ALU in improving the communication efficiency of federated distillation.

Mixture of Dynamical Variational Autoencoders for Multi-Source Trajectory Modeling and Separation. (arXiv:2312.04167v1 [cs.LG])

Authors: Xiaoyu Lin, Laurent Girin, Xavier Alameda-Pineda

In this paper, we propose a latent-variable generative model called mixture of dynamical variational autoencoders (MixDVAE) to model the dynamics of a system composed of multiple moving sources. A DVAE model is pre-trained on a single-source dataset to capture the source dynamics. Then, multiple instances of the pre-trained DVAE model are integrated into a multi-source mixture model with a discrete observation-to-source assignment latent variable. The posterior distributions of both the discrete observation-to-source assignment variable and the continuous DVAE variables representing the sources content/position are estimated using a variational expectation-maximization algorithm, leading to multi-source trajectories estimation. We illustrate the versatility of the proposed MixDVAE model on two tasks: a computer vision task, namely multi-object tracking, and an audio processing task, namely single-channel audio source separation. Experimental results show that the proposed method works well on these two tasks, and outperforms several baseline methods.

Augmentation-Free Dense Contrastive Knowledge Distillation for Efficient Semantic Segmentation. (arXiv:2312.04168v1 [cs.CV])

Authors: Jiawei Fan, Chao Li, Xiaolong Liu, Meina Song, Anbang Yao

In recent years, knowledge distillation methods based on contrastive learning have achieved promising results on image classification and object detection tasks. However, in this line of research, we note that less attention is paid to semantic segmentation. Existing methods heavily rely on data augmentation and memory buffer, which entail high computational resource demands when applying them to handle semantic segmentation that requires to preserve high-resolution feature maps for making dense pixel-wise predictions. In order to address this problem, we present Augmentation-free Dense Contrastive Knowledge Distillation (Af-DCD), a new contrastive distillation learning paradigm to train compact and accurate deep neural networks for semantic segmentation applications. Af-DCD leverages a masked feature mimicking strategy, and formulates a novel contrastive learning loss via taking advantage of tactful feature partitions across both channel and spatial dimensions, allowing to effectively transfer dense and structured local knowledge learnt by the teacher model to a target student model while maintaining training efficiency. Extensive experiments on five mainstream benchmarks with various teacher-student network pairs demonstrate the effectiveness of our approach. For instance, the DeepLabV3-Res18|DeepLabV3-MBV2 model trained by Af-DCD reaches 77.03%|76.38% mIOU on Cityscapes dataset when choosing DeepLabV3-Res101 as the teacher, setting new performance records. Besides that, Af-DCD achieves an absolute mIOU improvement of 3.26%|3.04%|2.75%|2.30%|1.42% compared with individually trained counterpart on Cityscapes|Pascal VOC|Camvid|ADE20K|COCO-Stuff-164K. Code is available at https://github.com/OSVAI/Af-DCD

A novel feature selection framework for incomplete data. (arXiv:2312.04171v1 [cs.LG])

Authors: Cong Guo

Feature selection on incomplete datasets is an exceptionally challenging task. Existing methods address this challenge by first employing imputation methods to complete the incomplete data and then conducting feature selection based on the imputed data. Since imputation and feature selection are entirely independent steps, the importance of features cannot be considered during imputation. However, in real-world scenarios or datasets, different features have varying degrees of importance. To address this, we propose a novel incomplete data feature selection framework that considers feature importance. The framework mainly consists of two alternating iterative stages: the M-stage and the W-stage. In the M-stage, missing values are imputed based on a given feature importance vector and multiple initial imputation results. In the W-stage, an improved reliefF algorithm is employed to learn the feature importance vector based on the imputed data. Specifically, the feature importance vector obtained in the current iteration of the W-stage serves as input for the next iteration of the M-stage. Experimental results on both artificially generated and real incomplete datasets demonstrate that the proposed method outperforms other approaches significantly.

Coherent energy and force uncertainty in deep learning force fields. (arXiv:2312.04174v1 [stat.ML])

Authors: Peter Bjørn Jørgensen, Jonas Busk, Ole Winther, Mikkel N. Schmidt

In machine learning energy potentials for atomic systems, forces are commonly obtained as the negative derivative of the energy function with respect to atomic positions. To quantify aleatoric uncertainty in the predicted energies, a widely used modeling approach involves predicting both a mean and variance for each energy value. However, this model is not differentiable under the usual white noise assumption, so energy uncertainty does not naturally translate to force uncertainty. In this work we propose a machine learning potential energy model in which energy and force aleatoric uncertainty are linked through a spatially correlated noise process. We demonstrate our approach on an equivariant messages passing neural network potential trained on energies and forces on two out-of-equilibrium molecular datasets. Furthermore, we also show how to obtain epistemic uncertainties in this setting based on a Bayesian interpretation of deep ensemble models.

Language Model Knowledge Distillation for Efficient Question Answering in Spanish. (arXiv:2312.04193v1 [cs.CL])

Authors: Adrián Bazaga, Pietro Liò, Gos Micklem

Recent advances in the development of pre-trained Spanish language models has led to significant progress in many Natural Language Processing (NLP) tasks, such as question answering. However, the lack of efficient models imposes a barrier for the adoption of such models in resource-constrained environments. Therefore, smaller distilled models for the Spanish language could be proven to be highly scalable and facilitate their further adoption on a variety of tasks and scenarios. In this work, we take one step in this direction by developing SpanishTinyRoBERTa, a compressed language model based on RoBERTa for efficient question answering in Spanish. To achieve this, we employ knowledge distillation from a large model onto a lighter model that allows for a wider implementation, even in areas with limited computational resources, whilst attaining negligible performance sacrifice. Our experiments show that the dense distilled model can still preserve the performance of its larger counterpart, while significantly increasing inference speedup. This work serves as a starting point for further research and investigation of model compression efforts for Spanish language models across various NLP tasks.

Wavelength-multiplexed Delayed Inputs for Memory Enhancement of Microring-based Reservoir Computing. (arXiv:2312.04204v1 [cs.NE])

Authors: Bernard J. Giron Castro, Christophe Peucheret, Francesco Da Ros

We numerically demonstrate a silicon add-drop microring-based reservoir computing scheme that combines parallel delayed inputs and wavelength division multiplexing. The scheme solves memory-demanding tasks like time-series prediction with good performance without requiring external optical feedback.

Constrained Hierarchical Clustering via Graph Coarsening and Optimal Cuts. (arXiv:2312.04209v1 [cs.LG])

Authors: Eliabelle Mauduit, Andrea Simonetto

Motivated by extracting and summarizing relevant information in short sentence settings, such as satisfaction questionnaires, hotel reviews, and X/Twitter, we study the problem of clustering words in a hierarchical fashion. In particular, we focus on the problem of clustering with horizontal and vertical structural constraints. Horizontal constraints are typically cannot-link and must-link among words, while vertical constraints are precedence constraints among cluster levels. We overcome state-of-the-art bottlenecks by formulating the problem in two steps: first, as a soft-constrained regularized least-squares which guides the result of a sequential graph coarsening algorithm towards the horizontal feasible set. Then, flat clusters are extracted from the resulting hierarchical tree by computing optimal cut heights based on the available constraints. We show that the resulting approach compares very well with respect to existing algorithms and is computationally light.

Guided Reconstruction with Conditioned Diffusion Models for Unsupervised Anomaly Detection in Brain MRIs. (arXiv:2312.04215v1 [eess.IV])

Authors: Finn Behrendt, Debayan Bhattacharya, Robin Mieling, Lennart Maack, Julia Krüger, Roland Opfer, Alexander Schlaefer

Unsupervised anomaly detection in Brain MRIs aims to identify abnormalities as outliers from a healthy training distribution. Reconstruction-based approaches that use generative models to learn to reconstruct healthy brain anatomy are commonly used for this task. Diffusion models are an emerging class of deep generative models that show great potential regarding reconstruction fidelity. However, they face challenges in preserving intensity characteristics in the reconstructed images, limiting their performance in anomaly detection. To address this challenge, we propose to condition the denoising mechanism of diffusion models with additional information about the image to reconstruct coming from a latent representation of the noise-free input image. This conditioning enables high-fidelity reconstruction of healthy brain structures while aligning local intensity characteristics of input-reconstruction pairs. We evaluate our method's reconstruction quality, domain adaptation features and finally segmentation performance on publicly available data sets with various pathologies. Using our proposed conditioning mechanism we can reduce the false-positive predictions and enable a more precise delineation of anomalies which significantly enhances the anomaly detection performance compared to established state-of-the-art approaches to unsupervised anomaly detection in brain MRI. Furthermore, our approach shows promise in domain adaptation across different MRI acquisitions and simulated contrasts, a crucial property of general anomaly detection methods.

CODEX: A Cluster-Based Method for Explainable Reinforcement Learning. (arXiv:2312.04216v1 [cs.LG])

Authors: Timothy K. Mathes, Jessica Inman, Andrés Colón, Simon Khan

Despite the impressive feats demonstrated by Reinforcement Learning (RL), these algorithms have seen little adoption in high-risk, real-world applications due to current difficulties in explaining RL agent actions and building user trust. We present Counterfactual Demonstrations for Explanation (CODEX), a method that incorporates semantic clustering, which can effectively summarize RL agent behavior in the state-action space. Experimentation on the MiniGrid and StarCraft II gaming environments reveals the semantic clusters retain temporal as well as entity information, which is reflected in the constructed summary of agent behavior. Furthermore, clustering the discrete+continuous game-state latent representations identifies the most crucial episodic events, demonstrating a relationship between the latent and semantic spaces. This work contributes to the growing body of work that strives to unlock the power of RL for widespread use by leveraging and extending techniques from Natural Language Processing.

Graph Convolutions Enrich the Self-Attention in Transformers!. (arXiv:2312.04234v1 [cs.LG])

Authors: Jeongwhan Choi, Hyowon Wi, Jayoung Kim, Yehjin Shin, Kookjin Lee, Nathaniel Trask, Noseong Park

Transformers, renowned for their self-attention mechanism, have achieved state-of-the-art performance across various tasks in natural language processing, computer vision, time-series modeling, etc. However, one of the challenges with deep Transformer models is the oversmoothing problem, where representations across layers converge to indistinguishable values, leading to significant performance degradation. We interpret the original self-attention as a simple graph filter and redesign it from a graph signal processing (GSP) perspective. We propose graph-filter-based self-attention (GFSA) to learn a general yet effective one, whose complexity, however, is slightly larger than that of the original self-attention mechanism. We demonstrate that GFSA improves the performance of Transformers in various fields, including computer vision, natural language processing, graph pattern classification, speech recognition, and code classification.

Invariant Random Forest: Tree-Based Model Solution for OOD Generalization. (arXiv:2312.04273v1 [cs.LG])

Authors: Yufan Liao, Qi Wu, Xing Yan

Out-Of-Distribution (OOD) generalization is an essential topic in machine learning. However, recent research is only focusing on the corresponding methods for neural networks. This paper introduces a novel and effective solution for OOD generalization of decision tree models, named Invariant Decision Tree (IDT). IDT enforces a penalty term with regard to the unstable/varying behavior of a split across different environments during the growth of the tree. Its ensemble version, the Invariant Random Forest (IRF), is constructed. Our proposed method is motivated by a theoretical result under mild conditions, and validated by numerical tests with both synthetic and real datasets. The superior performance compared to non-OOD tree models implies that considering OOD generalization for tree models is absolutely necessary and should be given more attention.

Estimating Countries with Similar Maternal Mortality Rate using Cluster Analysis and Pairing Countries with Identical MMR. (arXiv:2312.04275v1 [cs.LG])

Authors: S. Nandini, Sanjjushri Varshini R

In the evolving world, we require more additionally the young era to flourish and evolve into developed land. Most of the population all around the world are unaware of the complications involved in the routine they follow while they are pregnant and how hospital facilities affect maternal health. Maternal Mortality is the death of a pregnant woman due to intricacies correlated to pregnancy, underlying circumstances exacerbated by the pregnancy or management of these situations. It is crucial to consider the Maternal Mortality Rate (MMR) in diverse locations and determine which human routines and hospital facilities diminish the Maternal Mortality Rate (MMR). This research aims to examine and discover the countries which are keeping more lavish threats of MMR and countries alike in MMR encountered. Data is examined and collected for various countries, data consists of the earlier years' observation. From the perspective of Machine Learning, Unsupervised Machine Learning is implemented to perform Cluster Analysis. Therefore the pairs of countries with similar MMR as well as the extreme opposite pair concerning the MMR are found.

Factor-Assisted Federated Learning for Personalized Optimization with Heterogeneous Data. (arXiv:2312.04281v1 [stat.ML])

Authors: Feifei Wang, Huiyun Tang, Yang Li

Federated learning is an emerging distributed machine learning framework aiming at protecting data privacy. Data heterogeneity is one of the core challenges in federated learning, which could severely degrade the convergence rate and prediction performance of deep neural networks. To address this issue, we develop a novel personalized federated learning framework for heterogeneous data, which we refer to as FedSplit. This modeling framework is motivated by the finding that, data in different clients contain both common knowledge and personalized knowledge. Then the hidden elements in each neural layer can be split into the shared and personalized groups. With this decomposition, a novel objective function is established and optimized. We demonstrate FedSplit enjoyers a faster convergence speed than the standard federated learning method both theoretically and empirically. The generalization bound of the FedSplit method is also studied. To practically implement the proposed method on real datasets, factor analysis is introduced to facilitate the decoupling of hidden elements. This leads to a practically implemented model for FedSplit and we further refer to as FedFac. We demonstrated by simulation studies that, using factor analysis can well recover the underlying shared/personalized decomposition. The superior prediction performance of FedFac is further verified empirically by comparison with various state-of-the-art federated learning methods on several real datasets.

Simulating the Air Quality Impact of Prescribed Fires Using a Graph Neural Network-Based PM$_{2.5}$ Emissions Forecasting System. (arXiv:2312.04291v1 [physics.ao-ph])

Authors: Kyleen Liao, Jatan Buch, Kara Lamb, Pierre Gentine

The increasing size and severity of wildfires across western North America have generated dangerous levels of PM$_{2.5}$ pollution in recent years. In a warming climate, expanding the use of prescribed fires is widely considered to be the most robust fire mitigation strategy. However, reliably forecasting the potential air quality impact from these prescribed fires, a critical ingredient in determining the fires' location and time, at hourly to daily time scales remains a challenging problem. This paper proposes a novel integration of prescribed fire simulation with a spatio-temporal graph neural network-based PM$_{2.5}$ forecasting model. The experiments in this work focus on determining the optimal time for implementing prescribed fires in California as well as quantifying the potential air quality trade-offs involved in conducting more prescribed fires outside the fire season.

A Structural-Clustering Based Active Learning for Graph Neural Networks. (arXiv:2312.04307v1 [cs.LG])

Authors: Ricky Maulana Fajri, Yulong Pei, Lu Yin, Mykola Pechenizkiy

In active learning for graph-structured data, Graph Neural Networks (GNNs) have shown effectiveness. However, a common challenge in these applications is the underutilization of crucial structural information. To address this problem, we propose the Structural-Clustering PageRank method for improved Active learning (SPA) specifically designed for graph-structured data. SPA integrates community detection using the SCAN algorithm with the PageRank scoring method for efficient and informative sample selection. SPA prioritizes nodes that are not only informative but also central in structure. Through extensive experiments, SPA demonstrates higher accuracy and macro-F1 score over existing methods across different annotation budgets and achieves significant reductions in query time. In addition, the proposed method only adds two hyperparameters, $\epsilon$ and $\mu$ in the algorithm to finely tune the balance between structural learning and node selection. This simplicity is a key advantage in active learning scenarios, where extensive hyperparameter tuning is often impractical.

Finding Interpretable Class-Specific Patterns through Efficient Neural Search. (arXiv:2312.04311v1 [cs.LG])

Authors: Nils Philipp Walter, Jonas Fischer, Jilles Vreeken

Discovering patterns in data that best describe the differences between classes allows to hypothesize and reason about class-specific mechanisms. In molecular biology, for example, this bears promise of advancing the understanding of cellular processes differing between tissues or diseases, which could lead to novel treatments. To be useful in practice, methods that tackle the problem of finding such differential patterns have to be readily interpretable by domain experts, and scalable to the extremely high-dimensional data.

In this work, we propose a novel, inherently interpretable binary neural network architecture DIFFNAPS that extracts differential patterns from data. DiffNaps is scalable to hundreds of thousands of features and robust to noise, thus overcoming the limitations of current state-of-the-art methods in large-scale applications such as in biology. We show on synthetic and real world data, including three biological applications, that, unlike its competitors, DiffNaps consistently yields accurate, succinct, and interpretable class descriptions

Stochastic-Constrained Stochastic Optimization with Markovian Data. (arXiv:2312.04312v1 [math.OC])

Authors: Yeongjong Kim, Dabeen Lee

This paper considers stochastic-constrained stochastic optimization where the stochastic constraint is to satisfy that the expectation of a random function is below a certain threshold. In particular, we study the setting where data samples are drawn from a Markov chain and thus are not independent and identically distributed. We generalize the drift-plus-penalty framework, a primal-dual stochastic gradient method developed for the i.i.d. case, to the Markov chain sampling setting. We propose two variants of drift-plus-penalty; one is for the case when the mixing time of the underlying Markov chain is known while the other is for the case of unknown mixing time. In fact, our algorithms apply to a more general setting of constrained online convex optimization where the sequence of constraint functions follows a Markov chain. Both algorithms are adaptive in that the first works without knowledge of the time horizon while the second uses AdaGrad-style algorithm parameters, which is of independent interest. We demonstrate the effectiveness of our proposed methods through numerical experiments on classification with fairness constraints.

MIMo: A Multi-Modal Infant Model for Studying Cognitive Development. (arXiv:2312.04318v1 [cs.AI])

Authors: Dominik Mattern, Pierre Schumacher, Francisco M. López, Marcel C. Raabe, Markus R. Ernst, Arthur Aubret, Jochen Triesch

Human intelligence and human consciousness emerge gradually during the process of cognitive development. Understanding this development is an essential aspect of understanding the human mind and may facilitate the construction of artificial minds with similar properties. Importantly, human cognitive development relies on embodied interactions with the physical and social environment, which is perceived via complementary sensory modalities. These interactions allow the developing mind to probe the causal structure of the world. This is in stark contrast to common machine learning approaches, e.g., for large language models, which are merely passively ``digesting'' large amounts of training data, but are not in control of their sensory inputs. However, computational modeling of the kind of self-determined embodied interactions that lead to human intelligence and consciousness is a formidable challenge. Here we present MIMo, an open-source multi-modal infant model for studying early cognitive development through computer simulations. MIMo's body is modeled after an 18-month-old child with detailed five-fingered hands. MIMo perceives its surroundings via binocular vision, a vestibular system, proprioception, and touch perception through a full-body virtual skin, while two different actuation models allow control of his body. We describe the design and interfaces of MIMo and provide examples illustrating its use. All code is available at https://github.com/trieschlab/MIMo .

Equivariant Scalar Fields for Molecular Docking with Fast Fourier Transforms. (arXiv:2312.04323v1 [q-bio.BM])

Authors: Bowen Jing, Tommi Jaakkola, Bonnie Berger

Molecular docking is critical to structure-based virtual screening, yet the throughput of such workflows is limited by the expensive optimization of scoring functions involved in most docking algorithms. We explore how machine learning can accelerate this process by learning a scoring function with a functional form that allows for more rapid optimization. Specifically, we define the scoring function to be the cross-correlation of multi-channel ligand and protein scalar fields parameterized by equivariant graph neural networks, enabling rapid optimization over rigid-body degrees of freedom with fast Fourier transforms. The runtime of our approach can be amortized at several levels of abstraction, and is particularly favorable for virtual screening settings with a common binding pocket. We benchmark our scoring functions on two simplified docking-related tasks: decoy pose scoring and rigid conformer docking. Our method attains similar but faster performance on crystal structures compared to the widely-used Vina and Gnina scoring functions, and is more robust on computationally predicted structures. Code is available at https://github.com/bjing2016/scalar-fields.

Learning to sample in Cartesian MRI. (arXiv:2312.04327v1 [cs.LG])

Authors: Thomas Sanchez

Despite its exceptional soft tissue contrast, Magnetic Resonance Imaging (MRI) faces the challenge of long scanning times compared to other modalities like X-ray radiography. Shortening scanning times is crucial in clinical settings, as it increases patient comfort, decreases examination costs and improves throughput. Recent advances in compressed sensing (CS) and deep learning allow accelerated MRI acquisition by reconstructing high-quality images from undersampled data. While reconstruction algorithms have received most of the focus, designing acquisition trajectories to optimize reconstruction quality remains an open question. This thesis explores two approaches to address this gap in the context of Cartesian MRI. First, we propose two algorithms, lazy LBCS and stochastic LBCS, that significantly improve upon G\"ozc\"u et al.'s greedy learning-based CS (LBCS) approach. These algorithms scale to large, clinically relevant scenarios like multi-coil 3D MR and dynamic MRI, previously inaccessible to LBCS. Additionally, we demonstrate that generative adversarial networks (GANs) can serve as a natural criterion for adaptive sampling by leveraging variance in the measurement domain to guide acquisition. Second, we delve into the underlying structures or assumptions that enable mask design algorithms to perform well in practice. Our experiments reveal that state-of-the-art deep reinforcement learning (RL) approaches, while capable of adaptation and long-horizon planning, offer only marginal improvements over stochastic LBCS, which is neither adaptive nor does long-term planning. Altogether, our findings suggest that stochastic LBCS and similar methods represent promising alternatives to deep RL. They shine in particular by their scalability and computational efficiency and could be key in the deployment of optimized acquisition trajectories in Cartesian MRI.

Surrogate Modelling for Sea Ice Concentration using Lightweight Neural Ensemble. (arXiv:2312.04330v1 [cs.LG])

Authors: Julia Borisova, Nikolay O. Nikitin

The modeling and forecasting of sea ice conditions in the Arctic region are important tasks for ship routing, offshore oil production, and environmental monitoring. We propose the adaptive surrogate modeling approach named LANE-SI (Lightweight Automated Neural Ensembling for Sea Ice) that uses ensemble of relatively simple deep learning models with different loss functions for forecasting of spatial distribution for sea ice concentration in the specified water area. Experimental studies confirm the quality of a long-term forecast based on a deep learning model fitted to the specific water area is comparable to resource-intensive physical modeling, and for some periods of the year, it is superior. We achieved a 20% improvement against the state-of-the-art physics-based forecast system SEAS5 for the Kara Sea.

Merging by Matching Models in Task Subspaces. (arXiv:2312.04339v1 [cs.LG])

Authors: Derek Tam, Mohit Bansal, Colin Raffel

Model merging aims to cheaply combine individual task-specific models into a single multitask model. In this work, we view past merging methods as leveraging different notions of a ''task subspace'' in which models are matched before being merged. We connect the task subspace of a given model to its loss landscape and formalize how this approach to model merging can be seen as solving a linear system of equations. While past work has generally been limited to linear systems that have a closed-form solution, we consider using the conjugate gradient method to find a solution. We show that using the conjugate gradient method can outperform closed-form solutions, enables merging via linear systems that are otherwise intractable to solve, and flexibly allows choosing from a wide variety of initializations and estimates for the ''task subspace''. We ultimately demonstrate that our merging framework called ''Matching Models in their Task Subspace'' (MaTS) achieves state-of-the-art results in multitask and intermediate-task model merging. We release all of the code and checkpoints used in our work at https://github.com/r-three/mats.

Causality and Explainability for Trustworthy Integrated Pest Management. (arXiv:2312.04343v1 [cs.LG])

Authors: Ilias Tsoumas, Vasileios Sitokonstantinou, Georgios Giannarakis, Evagelia Lampiri, Christos Athanassiou, Gustau Camps-Valls, Charalampos Kontoes, Ioannis Athanasiadis

Pesticides serve as a common tool in agricultural pest control but significantly contribute to the climate crisis. To combat this, Integrated Pest Management (IPM) stands as a climate-smart alternative. Despite its potential, IPM faces low adoption rates due to farmers' skepticism about its effectiveness. To address this challenge, we introduce an advanced data analysis framework tailored to enhance IPM adoption. Our framework provides i) robust pest population predictions across diverse environments with invariant and causal learning, ii) interpretable pest presence predictions using transparent models, iii) actionable advice through counterfactual explanations for in-season IPM interventions, iv) field-specific treatment effect estimations, and v) assessments of the effectiveness of our advice using causal inference. By incorporating these features, our framework aims to alleviate skepticism and encourage wider adoption of IPM practices among farmers.

Enhancing Medical Task Performance in GPT-4V: A Comprehensive Study on Prompt Engineering Strategies. (arXiv:2312.04344v1 [cs.CL])

Authors: Pengcheng Chen, Ziyan Huang, Zhongying Deng, Tianbin Li, Yanzhou Su, Haoyu Wang, Jin Ye, Yu Qiao, Junjun He

OpenAI's latest large vision-language model (LVLM), GPT-4V(ision), has piqued considerable interest for its potential in medical applications. Despite its promise, recent studies and internal reviews highlight its underperformance in specialized medical tasks. This paper explores the boundary of GPT-4V's capabilities in medicine, particularly in processing complex imaging data from endoscopies, CT scans, and MRIs etc. Leveraging open-source datasets, we assessed its foundational competencies, identifying substantial areas for enhancement. Our research emphasizes prompt engineering, an often-underutilized strategy for improving AI responsiveness. Through iterative testing, we refined the model's prompts, significantly improving its interpretative accuracy and relevance in medical imaging. From our comprehensive evaluations, we distilled 10 effective prompt engineering techniques, each fortifying GPT-4V's medical acumen. These methodical enhancements facilitate more reliable, precise, and clinically valuable insights from GPT-4V, advancing its operability in critical healthcare environments. Our findings are pivotal for those employing AI in medicine, providing clear, actionable guidance on harnessing GPT-4V's full diagnostic potential.

Improved Efficient Two-Stage Denoising Diffusion Power System Measurement Recovery Against False Data Injection Attacks and Data Losses. (arXiv:2312.04346v1 [cs.LG])

Authors: Jianhua Pei, Jingyu Wang, Dongyuan Shi, Ping Wang

Measurement uncertainties, represented by cyber-attacks and data losses, seriously degrade the quality of power system measurements. Fortunately, the powerful generation ability of the denoising diffusion models can enable more precise measurement generation for power system data recovery. However, the controllable data generation and efficient computing methods of denoising diffusion models for deterministic trajectory still need further investigation. To this end, this paper proposes an improved two-stage denoising diffusion model (TSDM) to identify and reconstruct the measurements with various measurement uncertainties. The first stage of the model comprises a classifier-guided conditional anomaly detection component, while the second stage involves diffusion-based measurement imputation component. Moreover, the proposed TSDM adopts precise means and optimal variances to accelerate the diffusion generation process with subsequence sampling. Extensive numerical case studies demonstrate that the proposed TSDM can accurately recover power system measurements despite strong randomness under renewable energy integration and highly nonlinear dynamics under complex cyber-physical contingencies. Additionally, the proposed TSDM has stronger robustness compared to existing reconstruction networks and exhibits lower computational complexity than general denoising diffusion models.

CLadder: A Benchmark to Assess Causal Reasoning Capabilities of Language Models. (arXiv:2312.04350v1 [cs.CL])

Authors: Zhijing Jin, Yuen Chen, Felix Leeb, Luigi Gresele, Ojasv Kamal, Zhiheng Lyu, Kevin Blin, Fernando Gonzalez Adauto, Max Kleiman-Weiner, Mrinmaya Sachan, Bernhard Schölkopf

The ability to perform causal reasoning is widely considered a core feature of intelligence. In this work, we investigate whether large language models (LLMs) can coherently reason about causality. Much of the existing work in natural language processing (NLP) focuses on evaluating commonsense causal reasoning in LLMs, thus failing to assess whether a model can perform causal inference in accordance with a set of well-defined formal rules. To address this, we propose a new NLP task, causal inference in natural language, inspired by the "causal inference engine" postulated by Judea Pearl et al. We compose a large dataset, CLadder, with 10K samples: based on a collection of causal graphs and queries (associational, interventional, and counterfactual), we obtain symbolic questions and ground-truth answers, through an oracle causal inference engine. These are then translated into natural language. We evaluate multiple LLMs on our dataset, and we introduce and evaluate a bespoke chain-of-thought prompting strategy, CausalCoT. We show that our task is highly challenging for LLMs, and we conduct an in-depth analysis to gain deeper insight into the causal reasoning abilities of LLMs. Our data is open-sourced at https://huggingface.co/datasets/causalNLP/cladder, and our code can be found at https://github.com/causalNLP/cladder.

NeuJeans: Private Neural Network Inference with Joint Optimization of Convolution and Bootstrapping. (arXiv:2312.04356v1 [cs.CR])

Authors: Jae Hyung Ju, Jaiyoung Park, Jongmin Kim, Donghwan Kim, Jung Ho Ahn

Fully homomorphic encryption (FHE) is a promising cryptographic primitive for realizing private neural network inference (PI) services by allowing a client to fully offload the inference task to a cloud server while keeping the client data oblivious to the server. This work proposes NeuJeans, an FHE-based solution for the PI of deep convolutional neural networks (CNNs). NeuJeans tackles the critical problem of the enormous computational cost for the FHE evaluation of convolutional layers (conv2d), mainly due to the high cost of data reordering and bootstrapping. We first propose an encoding method introducing nested structures inside encoded vectors for FHE, which enables us to develop efficient conv2d algorithms with reduced data reordering costs. However, the new encoding method also introduces additional computations for conversion between encoding methods, which could negate its advantages. We discover that fusing conv2d with bootstrapping eliminates such computations while reducing the cost of bootstrapping. Then, we devise optimized execution flows for various types of conv2d and apply them to end-to-end implementation of CNNs. NeuJeans accelerates the performance of conv2d by up to 5.68 times compared to state-of-the-art FHE-based PI work and performs the PI of a CNN at the scale of ImageNet (ResNet18) within a mere few seconds

Investigating the Design Space of Diffusion Models for Speech Enhancement. (arXiv:2312.04370v1 [eess.AS])

Authors: Philippe Gonzalez, Zheng-Hua Tan, Jan Østergaard, Jesper Jensen, Tommy Sonne Alstrøm, Tobias May

Diffusion models are a new class of generative models that have shown outstanding performance in image generation literature. As a consequence, studies have attempted to apply diffusion models to other tasks, such as speech enhancement. A popular approach in adapting diffusion models to speech enhancement consists in modelling a progressive transformation between the clean and noisy speech signals. However, one popular diffusion model framework previously laid in image generation literature did not account for such a transformation towards the system input, which prevents from relating the existing diffusion-based speech enhancement systems with the aforementioned diffusion model framework. To address this, we extend this framework to account for the progressive transformation between the clean and noisy speech signals. This allows us to apply recent developments from image generation literature, and to systematically investigate design aspects of diffusion models that remain largely unexplored for speech enhancement, such as the neural network preconditioning, the training loss weighting, the stochastic differential equation (SDE), or the amount of stochasticity injected in the reverse process. We show that the performance of previous diffusion-based speech enhancement systems cannot be attributed to the progressive transformation between the clean and noisy speech signals. Moreover, we show that a proper choice of preconditioning, training loss weighting, SDE and sampler allows to outperform a popular diffusion-based speech enhancement system in terms of perceptual metrics while using fewer sampling steps, thus reducing the computational cost by a factor of four.

A Scalable Network-Aware Multi-Agent Reinforcement Learning Framework for Decentralized Inverter-based Voltage Control. (arXiv:2312.04371v1 [math.OC])

Authors: Han Xu, Jialin Zheng, Guannan Qu

This paper addresses the challenges associated with decentralized voltage control in power grids due to an increase in distributed generations (DGs). Traditional model-based voltage control methods struggle with the rapid energy fluctuations and uncertainties of these DGs. While multi-agent reinforcement learning (MARL) has shown potential for decentralized secondary control, scalability issues arise when dealing with a large number of DGs. This problem lies in the dominant centralized training and decentralized execution (CTDE) framework, where the critics take global observations and actions. To overcome these challenges, we propose a scalable network-aware (SNA) framework that leverages network structure to truncate the input to the critic's Q-function, thereby improving scalability and reducing communication costs during training. Further, the SNA framework is theoretically grounded with provable approximation guarantee, and it can seamlessly integrate with multiple multi-agent actor-critic algorithms. The proposed SNA framework is successfully demonstrated in a system with 114 DGs, providing a promising solution for decentralized voltage control in increasingly complex power grid systems.

Deep Dynamics: Vehicle Dynamics Modeling with a Physics-Informed Neural Network for Autonomous Racing. (arXiv:2312.04374v1 [cs.RO])

Authors: John Chrosniak, Jingyun Ning, Madhur Behl

Autonomous racing is a critical research area for autonomous driving, presenting significant challenges in vehicle dynamics modeling, such as balancing model precision and computational efficiency at high speeds (>280kmph), where minor errors in modeling have severe consequences. Existing physics-based models for vehicle dynamics require elaborate testing setups and tuning, which are hard to implement, time-intensive, and cost-prohibitive. Conversely, purely data-driven approaches do not generalize well and cannot adequately ensure physical constraints on predictions. This paper introduces Deep Dynamics, a physics-informed neural network (PINN) for vehicle dynamics modeling of an autonomous racecar. It combines physics coefficient estimation and dynamical equations to accurately predict vehicle states at high speeds and includes a unique Physics Guard layer to ensure internal coefficient estimates remain within their nominal physical ranges. Open-loop and closed-loop performance assessments, using a physics-based simulator and full-scale autonomous Indy racecar data, highlight Deep Dynamics as a promising approach for modeling racecar vehicle dynamics.

Model-Based Epistemic Variance of Values for Risk-Aware Policy Optimization. (arXiv:2312.04386v1 [cs.LG])

Authors: Carlos E. Luis, Alessandro G. Bottero, Julia Vinogradska, Felix Berkenkamp, Jan Peters

We consider the problem of quantifying uncertainty over expected cumulative rewards in model-based reinforcement learning. In particular, we focus on characterizing the variance over values induced by a distribution over MDPs. Previous work upper bounds the posterior variance over values by solving a so-called uncertainty Bellman equation (UBE), but the over-approximation may result in inefficient exploration. We propose a new UBE whose solution converges to the true posterior variance over values and leads to lower regret in tabular exploration problems. We identify challenges to apply the UBE theory beyond tabular problems and propose a suitable approximation. Based on this approximation, we introduce a general-purpose policy optimization algorithm, Q-Uncertainty Soft Actor-Critic (QU-SAC), that can be applied for either risk-seeking or risk-averse policy optimization with minimal changes. Experiments in both online and offline RL demonstrate improved performance compared to other uncertainty estimation methods.

Intelligent Anomaly Detection for Lane Rendering Using Transformer with Self-Supervised Pre-Training and Customized Fine-Tuning. (arXiv:2312.04398v1 [cs.CV])

Authors: Yongqi Dong, Xingmin Lu, Ruohan Li, Wei Song, Bart van Arem, Haneen Farah

The burgeoning navigation services using digital maps provide great convenience to drivers. Nevertheless, the presence of anomalies in lane rendering map images occasionally introduces potential hazards, as such anomalies can be misleading to human drivers and consequently contribute to unsafe driving conditions. In response to this concern and to accurately and effectively detect the anomalies, this paper transforms lane rendering image anomaly detection into a classification problem and proposes a four-phase pipeline consisting of data pre-processing, self-supervised pre-training with the masked image modeling (MiM) method, customized fine-tuning using cross-entropy based loss with label smoothing, and post-processing to tackle it leveraging state-of-the-art deep learning techniques, especially those involving Transformer models. Various experiments verify the effectiveness of the proposed pipeline. Results indicate that the proposed pipeline exhibits superior performance in lane rendering image anomaly detection, and notably, the self-supervised pre-training with MiM can greatly enhance the detection accuracy while significantly reducing the total training time. For instance, employing the Swin Transformer with Uniform Masking as self-supervised pretraining (Swin-Trans-UM) yielded a heightened accuracy at 94.77% and an improved Area Under The Curve (AUC) score of 0.9743 compared with the pure Swin Transformer without pre-training (Swin-Trans) with an accuracy of 94.01% and an AUC of 0.9498. The fine-tuning epochs were dramatically reduced to 41 from the original 280. In conclusion, the proposed pipeline, with its incorporation of self-supervised pre-training using MiM and other advanced deep learning techniques, emerges as a robust solution for enhancing the accuracy and efficiency of lane rendering image anomaly detection in digital navigation systems.

Semi-Supervised Active Learning for Semantic Segmentation in Unknown Environments Using Informative Path Planning. (arXiv:2312.04402v1 [cs.RO])

Authors: Julius Rückin, Federico Magistri, Cyrill Stachniss, Marija Popović

Semantic segmentation enables robots to perceive and reason about their environments beyond geometry. Most of such systems build upon deep learning approaches. As autonomous robots are commonly deployed in initially unknown environments, pre-training on static datasets cannot always capture the variety of domains and limits the robot's perception performance during missions. Recently, self-supervised and fully supervised active learning methods emerged to improve a robot's vision. These approaches rely on large in-domain pre-training datasets or require substantial human labelling effort. We propose a planning method for semi-supervised active learning of semantic segmentation that substantially reduces human labelling requirements compared to fully supervised approaches. We leverage an adaptive map-based planner guided towards the frontiers of unexplored space with high model uncertainty collecting training data for human labelling. A key aspect of our approach is to combine the sparse high-quality human labels with pseudo labels automatically extracted from highly certain environment map areas. Experimental results show that our method reaches segmentation performance close to fully supervised approaches with drastically reduced human labelling effort while outperforming self-supervised approaches.

On the Impact of Multi-dimensional Local Differential Privacy on Fairness. (arXiv:2312.04404v1 [cs.LG])

Authors: karima Makhlouf, Heber H. Arcolezi, Sami Zhioua, Ghassen Ben Brahim, Catuscia Palamidessi

Automated decision systems are increasingly used to make consequential decisions in people's lives. Due to the sensitivity of the manipulated data as well as the resulting decisions, several ethical concerns need to be addressed for the appropriate use of such technologies, in particular, fairness and privacy. Unlike previous work, which focused on centralized differential privacy (DP) or local DP (LDP) for a single sensitive attribute, in this paper, we examine the impact of LDP in the presence of several sensitive attributes (i.e., multi-dimensional data) on fairness. Detailed empirical analysis on synthetic and benchmark datasets revealed very relevant observations. In particular, (1) multi-dimensional LDP is an efficient approach to reduce disparity, (2) the multi-dimensional approach of LDP (independent vs. combined) matters only at low privacy guarantees, and (3) the outcome Y distribution has an important effect on which group is more sensitive to the obfuscation. Last, we summarize our findings in the form of recommendations to guide practitioners in adopting effective privacy-preserving practices while maintaining fairness and utility in ML applications.

Monitoring Sustainable Global Development Along Shared Socioeconomic Pathways. (arXiv:2312.04416v1 [cs.LG])

Authors: Michelle W.L. Wan, Jeffrey N. Clark, Edward A. Small, Elena Fillola Mayoral, Raúl Santos-Rodríguez

Sustainable global development is one of the most prevalent challenges facing the world today, hinging on the equilibrium between socioeconomic growth and environmental sustainability. We propose approaches to monitor and quantify sustainable development along the Shared Socioeconomic Pathways (SSPs), including mathematically derived scoring algorithms, and machine learning methods. These integrate socioeconomic and environmental datasets, to produce an interpretable metric for SSP alignment. An initial study demonstrates promising results, laying the groundwork for the application of different methods to the monitoring of sustainable global development.

FreqFed: A Frequency Analysis-Based Approach for Mitigating Poisoning Attacks in Federated Learning. (arXiv:2312.04432v1 [cs.CR])

Authors: Hossein Fereidooni, Alessandro Pegoraro, Phillip Rieger, Alexandra Dmitrienko, Ahmad-Reza Sadeghi

Federated learning (FL) is a collaborative learning paradigm allowing multiple clients to jointly train a model without sharing their training data. However, FL is susceptible to poisoning attacks, in which the adversary injects manipulated model updates into the federated model aggregation process to corrupt or destroy predictions (untargeted poisoning) or implant hidden functionalities (targeted poisoning or backdoors). Existing defenses against poisoning attacks in FL have several limitations, such as relying on specific assumptions about attack types and strategies or data distributions or not sufficiently robust against advanced injection techniques and strategies and simultaneously maintaining the utility of the aggregated model. To address the deficiencies of existing defenses, we take a generic and completely different approach to detect poisoning (targeted and untargeted) attacks. We present FreqFed, a novel aggregation mechanism that transforms the model updates (i.e., weights) into the frequency domain, where we can identify the core frequency components that inherit sufficient information about weights. This allows us to effectively filter out malicious updates during local training on the clients, regardless of attack types, strategies, and clients' data distributions. We extensively evaluate the efficiency and effectiveness of FreqFed in different application domains, including image classification, word prediction, IoT intrusion detection, and speech recognition. We demonstrate that FreqFed can mitigate poisoning attacks effectively with a negligible impact on the utility of the aggregated model.

Privacy-preserving quantum federated learning via gradient hiding. (arXiv:2312.04447v1 [quant-ph])

Authors: Changhao Li, Niraj Kumar, Zhixin Song, Shouvanik Chakrabarti, Marco Pistoia

Distributed quantum computing, particularly distributed quantum machine learning, has gained substantial prominence for its capacity to harness the collective power of distributed quantum resources, transcending the limitations of individual quantum nodes. Meanwhile, the critical concern of privacy within distributed computing protocols remains a significant challenge, particularly in standard classical federated learning (FL) scenarios where data of participating clients is susceptible to leakage via gradient inversion attacks by the server. This paper presents innovative quantum protocols with quantum communication designed to address the FL problem, strengthen privacy measures, and optimize communication efficiency. In contrast to previous works that leverage expressive variational quantum circuits or differential privacy techniques, we consider gradient information concealment using quantum states and propose two distinct FL protocols, one based on private inner-product estimation and the other on incremental learning. These protocols offer substantial advancements in privacy preservation with low communication resources, forging a path toward efficient quantum communication-assisted FL protocols and contributing to the development of secure distributed quantum machine learning, thus addressing critical privacy concerns in the quantum computing era.

If your data distribution shifts, use self-learning. (arXiv:2104.12928v4 [cs.CV] UPDATED)

Authors: Evgenia Rusak, Steffen Schneider, George Pachitariu, Luisa Eck, Peter Gehler, Oliver Bringmann, Wieland Brendel, Matthias Bethge

We demonstrate that self-learning techniques like entropy minimization and pseudo-labeling are simple and effective at improving performance of a deployed computer vision model under systematic domain shifts. We conduct a wide range of large-scale experiments and show consistent improvements irrespective of the model architecture, the pre-training technique or the type of distribution shift. At the same time, self-learning is simple to use in practice because it does not require knowledge or access to the original training data or scheme, is robust to hyperparameter choices, is straight-forward to implement and requires only a few adaptation epochs. This makes self-learning techniques highly attractive for any practitioner who applies machine learning algorithms in the real world. We present state-of-the-art adaptation results on CIFAR10-C (8.5% error), ImageNet-C (22.0% mCE), ImageNet-R (17.4% error) and ImageNet-A (14.8% error), theoretically study the dynamics of self-supervised adaptation methods and propose a new classification dataset (ImageNet-D) which is challenging even with adaptation.

Gradient play in stochastic games: stationary points, convergence, and sample complexity. (arXiv:2106.00198v5 [cs.LG] UPDATED)

Authors: Runyu Zhang, Zhaolin Ren, Na Li

We study the performance of the gradient play algorithm for stochastic games (SGs), where each agent tries to maximize its own total discounted reward by making decisions independently based on current state information which is shared between agents. Policies are directly parameterized by the probability of choosing a certain action at a given state. We show that Nash equilibria (NEs) and first-order stationary policies are equivalent in this setting, and give a local convergence rate around strict NEs. Further, for a subclass of SGs called Markov potential games (which includes the setting with identical rewards as an important special case), we design a sample-based reinforcement learning algorithm and give a non-asymptotic global convergence rate analysis for both exact gradient play and our sample-based learning algorithm. Our result shows that the number of iterations to reach an $\epsilon$-NE scales linearly, instead of exponentially, with the number of agents. Local geometry and local stability are also considered, where we prove that strict NEs are local maxima of the total potential function and fully-mixed NEs are saddle points.

Deep Learning for Hate Speech Detection: A Comparative Study. (arXiv:2202.09517v2 [cs.CL] UPDATED)

Authors: Jitendra Singh Malik, Hezhe Qiao, Guansong Pang, Anton van den Hengel

Automated hate speech detection is an important tool in combating the spread of hate speech, particularly in social media. Numerous methods have been developed for the task, including a recent proliferation of deep-learning based approaches. A variety of datasets have also been developed, exemplifying various manifestations of the hate-speech detection problem. We present here a large-scale empirical comparison of deep and shallow hate-speech detection methods, mediated through the three most commonly used datasets. Our goal is to illuminate progress in the area, and identify strengths and weaknesses in the current state-of-the-art. We particularly focus our analysis on measures of practical performance, including detection accuracy, computational efficiency, capability in using pre-trained models, and domain generalization. In doing so we aim to provide guidance as to the use of hate-speech detection in practice, quantify the state-of-the-art, and identify future research directions. Code and dataset are available at https://github.com/jmjmalik22/Hate-Speech-Detection.

Convolutional layers are equivariant to discrete shifts but not continuous translations. (arXiv:2206.04979v4 [cs.CV] UPDATED)

Authors: Nick McGreivy, Ammar Hakim

The purpose of this short and simple note is to clarify a common misconception about convolutional neural networks (CNNs). CNNs are made up of convolutional layers which are shift equivariant due to weight sharing. However, convolutional layers are not translation equivariant, even when boundary effects are ignored and when pooling and subsampling are absent. This is because shift equivariance is a discrete symmetry while translation equivariance is a continuous symmetry. This fact is well known among researchers in equivariant machine learning, but is usually overlooked among non-experts. To minimize confusion, we suggest using the term `shift equivariance' to refer to discrete shifts in pixels and `translation equivariance' to refer to continuous translations.

Constrained Few-Shot Learning: Human-Like Low Sample Complexity Learning and Non-Episodic Text Classification. (arXiv:2208.08089v2 [cs.LG] UPDATED)

Authors: Jaron Mar, Jiamou Liu

Few-shot learning (FSL) is an emergent paradigm of learning that attempts to learn to reason with low sample complexity to mimic the way humans learn, generalise and extrapolate from only a few seen examples. While FSL attempts to mimic these human characteristics, fundamentally, the task of FSL as conventionally formulated using meta-learning with episodic-based training does not in actuality align with how humans acquire and reason with knowledge. FSL with episodic training, while only requires $K$ instances of each test class, still requires a large number of labelled training instances from disjoint classes. In this paper, we introduce the novel task of constrained few-shot learning (CFSL), a special case of FSL where $M$, the number of instances of each training class is constrained such that $M \leq K$ thus applying a similar restriction during FSL training and test. We propose a method for CFSL leveraging Cat2Vec using a novel categorical contrastive loss inspired by cognitive theories such as fuzzy trace theory and prototype theory.

Rethinking Bias Mitigation: Fairer Architectures Make for Fairer Face Recognition. (arXiv:2210.09943v3 [cs.CV] UPDATED)

Authors: Samuel Dooley, Rhea Sanjay Sukthanker, John P. Dickerson, Colin White, Frank Hutter, Micah Goldblum

Face recognition systems are widely deployed in safety-critical applications, including law enforcement, yet they exhibit bias across a range of socio-demographic dimensions, such as gender and race. Conventional wisdom dictates that model biases arise from biased training data. As a consequence, previous works on bias mitigation largely focused on pre-processing the training data, adding penalties to prevent bias from effecting the model during training, or post-processing predictions to debias them, yet these approaches have shown limited success on hard problems such as face recognition. In our work, we discover that biases are actually inherent to neural network architectures themselves. Following this reframing, we conduct the first neural architecture search for fairness, jointly with a search for hyperparameters. Our search outputs a suite of models which Pareto-dominate all other high-performance architectures and existing bias mitigation methods in terms of accuracy and fairness, often by large margins, on the two most widely used datasets for face identification, CelebA and VGGFace2. Furthermore, these models generalize to other datasets and sensitive attributes. We release our code, models and raw data files at https://github.com/dooleys/FR-NAS.

Similarity of Neural Architectures using Adversarial Attack Transferability. (arXiv:2210.11407v3 [cs.LG] UPDATED)

Authors: Jaehui Hwang, Dongyoon Han, Byeongho Heo, Song Park, Sanghyuk Chun, Jong-Seok Lee

In recent years, many deep neural architectures have been developed for image classification. Whether they are similar or dissimilar and what factors contribute to their (dis)similarities remains curious. To address this question, we aim to design a quantitative and scalable similarity measure between neural architectures. We propose Similarity by Attack Transferability (SAT) from the observation that adversarial attack transferability contains information related to input gradients and decision boundaries widely used to understand model behaviors. We conduct a large-scale analysis on 69 state-of-the-art ImageNet classifiers using our proposed similarity function to answer the question. Moreover, we observe neural architecture-related phenomena using model similarity that model diversity can lead to better performance on model ensembles and knowledge distillation under specific conditions. Our results provide insights into why developing diverse neural architectures with distinct components is necessary.

Active Learning of Discrete-Time Dynamics for Uncertainty-Aware Model Predictive Control. (arXiv:2210.12583v3 [cs.RO] UPDATED)

Authors: Alessandro Saviolo, Jonathan Frey, Abhishek Rathod, Moritz Diehl, Giuseppe Loianno

Model-based control requires an accurate model of the system dynamics for precisely and safely controlling the robot in complex and dynamic environments. Moreover, in the presence of variations in the operating conditions, the model should be continuously refined to compensate for dynamics changes. In this paper, we present a self-supervised learning approach that actively models the dynamics of nonlinear robotic systems. We combine offline learning from past experience and online learning from current robot interaction with the unknown environment. These two ingredients enable a highly sample-efficient and adaptive learning process, capable of accurately inferring model dynamics in real-time even in operating regimes that greatly differ from the training distribution. Moreover, we design an uncertainty-aware model predictive controller that is heuristically conditioned to the aleatoric (data) uncertainty of the learned dynamics. This controller actively chooses the optimal control actions that (i) optimize the control performance and (ii) improve the efficiency of online learning sample collection. We demonstrate the effectiveness of our method through a series of challenging real-world experiments using a quadrotor system. Our approach showcases high resilience and generalization capabilities by consistently adapting to unseen flight conditions, while it significantly outperforms classical and adaptive control baselines.

Bandit Algorithms for Prophet Inequality and Pandora's Box. (arXiv:2211.08586v2 [cs.DS] UPDATED)

Authors: Khashayar Gatmiry, Thomas Kesselheim, Sahil Singla, Yifan Wang

The Prophet Inequality and Pandora's Box problems are fundamental stochastic problem with applications in Mechanism Design, Online Algorithms, Stochastic Optimization, Optimal Stopping, and Operations Research. A usual assumption in these works is that the probability distributions of the $n$ underlying random variables are given as input to the algorithm. Since in practice these distributions need to be learned, we initiate the study of such stochastic problems in the Multi-Armed Bandits model.

In the Multi-Armed Bandits model we interact with $n$ unknown distributions over $T$ rounds: in round $t$ we play a policy $x^{(t)}$ and receive a partial (bandit) feedback on the performance of $x^{(t)}$. The goal is to minimize the regret, which is the difference over $T$ rounds in the total value of the optimal algorithm that knows the distributions vs. the total value of our algorithm that learns the distributions from the partial feedback. Our main results give near-optimal $\tilde{O}(\mathsf{poly}(n)\sqrt{T})$ total regret algorithms for both Prophet Inequality and Pandora's Box.

Our proofs proceed by maintaining confidence intervals on the unknown indices of the optimal policy. The exploration-exploitation tradeoff prevents us from directly refining these confidence intervals, so the main technique is to design a regret upper bound that is learnable while playing low-regret Bandit policies.

Resource Allocation of Federated Learning for the Metaverse with Mobile Augmented Reality. (arXiv:2211.08705v3 [cs.LG] UPDATED)

Authors: Xinyu Zhou, Chang Liu, Jun Zhao

The Metaverse has received much attention recently. Metaverse applications via mobile augmented reality (MAR) require rapid and accurate object detection to mix digital data with the real world. Federated learning (FL) is an intriguing distributed machine learning approach due to its privacy-preserving characteristics. Due to privacy concerns and the limited computation resources on mobile devices, we incorporate FL into MAR systems of the Metaverse to train a model cooperatively. Besides, to balance the trade-off between energy, execution latency and model accuracy, thereby accommodating different demands and application scenarios, we formulate an optimization problem to minimize a weighted combination of total energy consumption, completion time and model accuracy. Through decomposing the non-convex optimization problem into two subproblems, we devise a resource allocation algorithm to determine the bandwidth allocation, transmission power, CPU frequency and video frame resolution for each participating device. We further present the convergence analysis and computational complexity of the proposed algorithm. Numerical results show that our proposed algorithm has better performance (in terms of energy consumption, completion time and model accuracy) under different weight parameters compared to existing benchmarks.

Internal Representations of Vision Models Through the Lens of Frames on Data Manifolds. (arXiv:2211.10558v2 [cs.LG] UPDATED)

Authors: Henry Kvinge, Grayson Jorgenson, Davis Brown, Charles Godfrey, Tegan Emerson

While the last five years have seen considerable progress in understanding the internal representations of deep learning models, many questions remain. This is especially true when trying to understand the impact of model design choices, such as model architecture or training algorithm, on hidden representation geometry and dynamics. In this work we present a new approach to studying such representations inspired by the idea of a frame on the tangent bundle of a manifold. Our construction, which we call a neural frame, is formed by assembling a set of vectors representing specific types of perturbations of a data point, for example infinitesimal augmentations, noise perturbations, or perturbations produced by a generative model, and studying how these change as they pass through a network. Using neural frames, we make observations about the way that models process, layer-by-layer, specific modes of variation within a small neighborhood of a datapoint. Our results provide new perspectives on a number of phenomena, such as the manner in which training with augmentation produces model invariance or the proposed trade-off between adversarial training and model generalization.

MAUVE Scores for Generative Models: Theory and Practice. (arXiv:2212.14578v2 [cs.LG] UPDATED)

Authors: Krishna Pillutla, Lang Liu, John Thickstun, Sean Welleck, Swabha Swayamdipta, Rowan Zellers, Sewoong Oh, Yejin Choi, Zaid Harchaoui

Generative artificial intelligence has made significant strides, producing text indistinguishable from human prose and remarkably photorealistic images. Automatically measuring how close the generated data distribution is to the target distribution is central to diagnosing existing models and developing better ones. We present MAUVE, a family of comparison measures between pairs of distributions such as those encountered in the generative modeling of text or images. These scores are statistical summaries of divergence frontiers capturing two types of errors in generative modeling. We explore three approaches to statistically estimate these scores: vector quantization, non-parametric estimation, and classifier-based estimation. We provide statistical bounds for the vector quantization approach.

Empirically, we find that the proposed scores paired with a range of $f$-divergences and statistical estimation methods can quantify the gaps between the distributions of human-written text and those of modern neural language models by correlating with human judgments and identifying known properties of the generated texts. We demonstrate in the vision domain that MAUVE can identify known properties of generated images on par with or better than existing metrics. In conclusion, we present practical recommendations for using MAUVE effectively with language and image modalities.

Point Cloud-based Proactive Link Quality Prediction for Millimeter-wave Communications. (arXiv:2301.00752v4 [cs.NI] UPDATED)

Authors: Shoki Ohta, Takayuki Nishio, Riichi Kudo, Kahoko Takahashi, Hisashi Nagata

This study demonstrates the feasibility of point cloud-based proactive link quality prediction for millimeter-wave (mmWave) communications. Previous studies have proposed machine learning-based methods to predict received signal strength for future time periods using time series of depth images to mitigate the line-of-sight (LOS) path blockage by pedestrians in mmWave communication. However, these image-based methods have limited applicability due to privacy concerns as camera images may contain sensitive information. This study proposes a point cloud-based method for mmWave link quality prediction and demonstrates its feasibility through experiments. Point clouds represent three-dimensional (3D) spaces as a set of points and are sparser and less likely to contain sensitive information than camera images. Additionally, point clouds provide 3D position and motion information, which is necessary for understanding the radio propagation environment involving pedestrians. This study designs the mmWave link quality prediction method and conducts realistic indoor experiments, where the link quality fluctuates significantly due to human blockage, using commercially available IEEE 802.11ad-based 60 GHz wireless LAN devices and Kinect v2 RGB-D camera and Velodyne VLP-16 light detection and ranging (LiDAR) for point cloud acquisition. The experimental results showed that our proposed method can predict future large attenuation of mmWave received signal strength and throughput induced by the LOS path blockage by pedestrians with comparable or superior accuracy to image-based prediction methods. Hence, our point cloud-based method can serve as a viable alternative to image-based methods.

Sem@$K$: Is my knowledge graph embedding model semantic-aware?. (arXiv:2301.05601v2 [cs.LG] UPDATED)

Authors: Nicolas Hubert, Pierre Monnin, Armelle Brun, Davy Monticolo

Using knowledge graph embedding models (KGEMs) is a popular approach for predicting links in knowledge graphs (KGs). Traditionally, the performance of KGEMs for link prediction is assessed using rank-based metrics, which evaluate their ability to give high scores to ground-truth entities. However, the literature claims that the KGEM evaluation procedure would benefit from adding supplementary dimensions to assess. That is why, in this paper, we extend our previously introduced metric Sem@K that measures the capability of models to predict valid entities w.r.t. domain and range constraints. In particular, we consider a broad range of KGs and take their respective characteristics into account to propose different versions of Sem@K. We also perform an extensive study to qualify the abilities of KGEMs as measured by our metric. Our experiments show that Sem@K provides a new perspective on KGEM quality. Its joint analysis with rank-based metrics offers different conclusions on the predictive power of models. Regarding Sem@K, some KGEMs are inherently better than others, but this semantic superiority is not indicative of their performance w.r.t. rank-based metrics. In this work, we generalize conclusions about the relative performance of KGEMs w.r.t. rank-based and semantic-oriented metrics at the level of families of models. The joint analysis of the aforementioned metrics gives more insight into the peculiarities of each model. This work paves the way for a more comprehensive evaluation of KGEM adequacy for specific downstream tasks.

A Stability Analysis of Fine-Tuning a Pre-Trained Model. (arXiv:2301.09820v2 [cs.LG] UPDATED)

Authors: Zihao Fu, Anthony Man-Cho So, Nigel Collier

Fine-tuning a pre-trained model (such as BERT, ALBERT, RoBERTa, T5, GPT, etc.) has proven to be one of the most promising paradigms in recent NLP research. However, numerous recent works indicate that fine-tuning suffers from the instability problem, i.e., tuning the same model under the same setting results in significantly different performance. Many recent works have proposed different methods to solve this problem, but there is no theoretical understanding of why and how these methods work. In this paper, we propose a novel theoretical stability analysis of fine-tuning that focuses on two commonly used settings, namely, full fine-tuning and head tuning. We define the stability under each setting and prove the corresponding stability bounds. The theoretical bounds explain why and how several existing methods can stabilize the fine-tuning procedure. In addition to being able to explain most of the observed empirical discoveries, our proposed theoretical analysis framework can also help in the design of effective and provable methods. Based on our theory, we propose three novel strategies to stabilize the fine-tuning procedure, namely, Maximal Margin Regularizer (MMR), Multi-Head Loss (MHLoss), and Self Unsupervised Re-Training (SURT). We extensively evaluate our proposed approaches on 11 widely used real-world benchmark datasets, as well as hundreds of synthetic classification datasets. The experiment results show that our proposed methods significantly stabilize the fine-tuning procedure and also corroborate our theoretical analysis.

Temporal Robustness against Data Poisoning. (arXiv:2302.03684v3 [cs.LG] UPDATED)

Authors: Wenxiao Wang, Soheil Feizi

Data poisoning considers cases when an adversary manipulates the behavior of machine learning algorithms through malicious training data. Existing threat models of data poisoning center around a single metric, the number of poisoned samples. In consequence, if attackers can poison more samples than expected with affordable overhead, as in many practical scenarios, they may be able to render existing defenses ineffective in a short time. To address this issue, we leverage timestamps denoting the birth dates of data, which are often available but neglected in the past. Benefiting from these timestamps, we propose a temporal threat model of data poisoning with two novel metrics, earliness and duration, which respectively measure how long an attack started in advance and how long an attack lasted. Using these metrics, we define the notions of temporal robustness against data poisoning, providing a meaningful sense of protection even with unbounded amounts of poisoned samples when the attacks are temporally bounded. We present a benchmark with an evaluation protocol simulating continuous data collection and periodic deployments of updated models, thus enabling empirical evaluation of temporal robustness. Lastly, we develop and also empirically verify a baseline defense, namely temporal aggregation, offering provable temporal robustness and highlighting the potential of our temporal threat model for data poisoning.

Characterizing the Optimal 0-1 Loss for Multi-class Classification with a Test-time Attacker. (arXiv:2302.10722v2 [cs.LG] UPDATED)

Authors: Sihui Dai, Wenxin Ding, Arjun Nitin Bhagoji, Daniel Cullina, Ben Y. Zhao, Haitao Zheng, Prateek Mittal

Finding classifiers robust to adversarial examples is critical for their safe deployment. Determining the robustness of the best possible classifier under a given threat model for a given data distribution and comparing it to that achieved by state-of-the-art training methods is thus an important diagnostic tool. In this paper, we find achievable information-theoretic lower bounds on loss in the presence of a test-time attacker for multi-class classifiers on any discrete dataset. We provide a general framework for finding the optimal 0-1 loss that revolves around the construction of a conflict hypergraph from the data and adversarial constraints. We further define other variants of the attacker-classifier game that determine the range of the optimal loss more efficiently than the full-fledged hypergraph construction. Our evaluation shows, for the first time, an analysis of the gap to optimal robustness for classifiers in the multi-class setting on benchmark datasets.

Trajectory-User Linking via Hierarchical Spatio-Temporal Attention Networks. (arXiv:2302.10903v2 [cs.LG] UPDATED)

Authors: Wei Chen, Chao Huang, Yanwei Yu, Yongguo Jiang, Junyu Dong

Trajectory-User Linking (TUL) is crucial for human mobility modeling by linking diferent trajectories to users with the exploration of complex mobility patterns. Existing works mainly rely on the recurrent neural framework to encode the temporal dependencies in trajectories, have fall short in capturing spatial-temporal global context for TUL prediction. To ill this gap, this work presents a new hierarchical spatio-temporal attention neural network, called AttnTUL, to jointly encode the local trajectory transitional patterns and global spatial dependencies for TUL. Speciically, our irst model component is built over the graph neural architecture to preserve the local and global context and enhance the representation paradigm of geographical regions and user trajectories. Additionally, a hierarchically structured attention network is designed to simultaneously encode the intra-trajectory and inter-trajectory dependencies, with the integration of the temporal attention mechanism and global elastic attentional encoder. Extensive experiments demonstrate the superiority of our AttnTUL method as compared to state-of-the-art baselines on various trajectory datasets. The source code of our model is available at https://github.com/Onedean/AttnTUL.

Reinforcement Learning for Combining Search Methods in the Calibration of Economic ABMs. (arXiv:2302.11835v3 [cs.LG] UPDATED)

Authors: Aldo Glielmo, Marco Favorito, Debmallya Chanda, Domenico Delli Gatti

Calibrating agent-based models (ABMs) in economics and finance typically involves a derivative-free search in a very large parameter space. In this work, we benchmark a number of search methods in the calibration of a well-known macroeconomic ABM on real data, and further assess the performance of "mixed strategies" made by combining different methods. We find that methods based on random-forest surrogates are particularly efficient, and that combining search methods generally increases performance since the biases of any single method are mitigated. Moving from these observations, we propose a reinforcement learning (RL) scheme to automatically select and combine search methods on-the-fly during a calibration run. The RL agent keeps exploiting a specific method only as long as this keeps performing well, but explores new strategies when the specific method reaches a performance plateau. The resulting RL search scheme outperforms any other method or method combination tested, and does not rely on any prior information or trial and error procedure.

Internal-Coordinate Density Modelling of Protein Structure: Covariance Matters. (arXiv:2302.13711v2 [cs.LG] UPDATED)

Authors: Marloes Arts, Jes Frellsen, Wouter Boomsma

After the recent ground-breaking advances in protein structure prediction, one of the remaining challenges in protein machine learning is to reliably predict distributions of structural states. Parametric models of fluctuations are difficult to fit due to complex covariance structures between degrees of freedom in the protein chain, often causing models to either violate local or global structural constraints. In this paper, we present a new strategy for modelling protein densities in internal coordinates, which uses constraints in 3D space to induce covariance structure between the internal degrees of freedom. We illustrate the potential of the procedure by constructing a variational autoencoder with full covariance output induced by the constraints implied by the conditional mean in 3D, and demonstrate that our approach makes it possible to scale density models of internal coordinates to full protein backbones in two settings: 1) a unimodal setting for proteins exhibiting small fluctuations and limited amounts of available data, and 2) a multimodal setting for larger conformational changes in a high data regime.

Facial recognition technology and human raters can predict political orientation from images of expressionless faces even when controlling for demographics and self-presentation. (arXiv:2303.16343v3 [cs.CV] UPDATED)

Authors: Michal Kosinski, Poruz Khambatta, Yilun Wang

Carefully standardized facial images of 591 participants were taken in the laboratory, while controlling for self-presentation, facial expression, head orientation, and image properties. They were presented to human raters and a facial recognition algorithm: both humans (r=.21) and the algorithm (r=.22) could predict participants' scores on a political orientation scale (Cronbach's alpha=.94) decorrelated with age, gender, and ethnicity. These effects are on par with how well job interviews predict job success, or alcohol drives aggressiveness. Algorithm's predictive accuracy was even higher (r=.31) when it leveraged information on participants' age, gender, and ethnicity. Moreover, the associations between facial appearance and political orientation seem to generalize beyond our sample: The predictive model derived from standardized images (while controlling for age, gender, and ethnicity) could predict political orientation (r=.13) from naturalistic images of 3,401 politicians from the U.S., UK, and Canada. The analysis of facial features associated with political orientation revealed that conservatives tended to have larger lower faces. The predictability of political orientation from standardized images has critical implications for privacy, the regulation of facial recognition technology, and understanding the origins and consequences of political orientation.

Contrastive-Signal-Dependent Plasticity: Forward-Forward Learning of Spiking Neural Systems. (arXiv:2303.18187v2 [cs.NE] UPDATED)

Authors: Alexander Ororbia

We develop a neuro-mimetic architecture, composed of spiking neuronal units, where individual layers of neurons operate in parallel and adapt their synaptic efficacies without the use of feedback pathways. Specifically, we propose an event-based generalization of forward-forward learning, which we call contrastive-signal-dependent plasticity (CSDP), for a spiking neural system that iteratively processes sensory input over a stimulus window. The dynamics that underwrite this recurrent circuit entail computing the membrane potential of each processing element, in each layer, as a function of local bottom-up, top-down, and lateral signals, facilitating a dynamic, layer-wise parallel form of neural computation. Unlike other models, such as spiking predictive coding, which rely on feedback synapses to adjust neural electrical activity, our model operates purely online and forward in time, offering a promising way to learn distributed representations of sensory data patterns, with and without labeled context information. Notably, our experimental results on several pattern datasets demonstrate that the CSDP process works well for training a dynamic recurrent spiking network capable of both classification and reconstruction.

LAVA: Data Valuation without Pre-Specified Learning Algorithms. (arXiv:2305.00054v2 [cs.LG] UPDATED)

Authors: Hoang Anh Just, Feiyang Kang, Jiachen T. Wang, Yi Zeng, Myeongseob Ko, Ming Jin, Ruoxi Jia

Traditionally, data valuation (DV) is posed as a problem of equitably splitting the validation performance of a learning algorithm among the training data. As a result, the calculated data values depend on many design choices of the underlying learning algorithm. However, this dependence is undesirable for many DV use cases, such as setting priorities over different data sources in a data acquisition process and informing pricing mechanisms in a data marketplace. In these scenarios, data needs to be valued before the actual analysis and the choice of the learning algorithm is still undetermined then. Another side-effect of the dependence is that to assess the value of individual points, one needs to re-run the learning algorithm with and without a point, which incurs a large computation burden. This work leapfrogs over the current limits of data valuation methods by introducing a new framework that can value training data in a way that is oblivious to the downstream learning algorithm. Our main results are as follows. (1) We develop a proxy for the validation performance associated with a training set based on a non-conventional class-wise Wasserstein distance between training and validation sets. We show that the distance characterizes the upper bound of the validation performance for any given model under certain Lipschitz conditions. (2) We develop a novel method to value individual data based on the sensitivity analysis of the class-wise Wasserstein distance. Importantly, these values can be directly obtained for free from the output of off-the-shelf optimization solvers when computing the distance. (3) We evaluate our new data valuation framework over various use cases related to detecting low-quality data and show that, surprisingly, the learning-agnostic feature of our framework enables a significant improvement over SOTA performance while being orders of magnitude faster.

Low-complexity subspace-descent over symmetric positive definite manifold. (arXiv:2305.02041v3 [stat.ML] UPDATED)

Authors: Yogesh Darmwal, Ketan Rajawat

This work puts forth low-complexity Riemannian subspace descent algorithms for the minimization of functions over the symmetric positive definite (SPD) manifold. Different from the existing Riemannian gradient descent variants, the proposed approach utilizes carefully chosen subspaces that allow the update to be written as a product of the Cholesky factor of the iterate and a sparse matrix. The resulting updates avoid the costly matrix operations like matrix exponentiation and dense matrix multiplication, which are generally required in almost all other Riemannian optimization algorithms on SPD manifold. We further identify a broad class of functions, arising in diverse applications, such as kernel matrix learning, covariance estimation of Gaussian distributions, maximum likelihood parameter estimation of elliptically contoured distributions, and parameter estimation in Gaussian mixture model problems, over which the Riemannian gradients can be calculated efficiently. The proposed uni-directional and multi-directional Riemannian subspace descent variants incur per-iteration complexities of $\O(n)$ and $\O(n^2)$ respectively, as compared to the $\O(n^3)$ or higher complexity incurred by all existing Riemannian gradient descent variants. The superior runtime and low per-iteration complexity of the proposed algorithms is also demonstrated via numerical tests on large-scale covariance estimation and matrix square root problems.

Can Large Language Models Transform Computational Social Science?. (arXiv:2305.03514v2 [cs.CL] UPDATED)

Authors: Caleb Ziems, William Held, Omar Shaikh, Jiaao Chen, Zhehao Zhang, Diyi Yang

Large Language Models (LLMs) are capable of successfully performing many language processing tasks zero-shot (without training data). If zero-shot LLMs can also reliably classify and explain social phenomena like persuasiveness and political ideology, then LLMs could augment the Computational Social Science (CSS) pipeline in important ways. This work provides a road map for using LLMs as CSS tools. Towards this end, we contribute a set of prompting best practices and an extensive evaluation pipeline to measure the zero-shot performance of 13 language models on 25 representative English CSS benchmarks. On taxonomic labeling tasks (classification), LLMs fail to outperform the best fine-tuned models but still achieve fair levels of agreement with humans. On free-form coding tasks (generation), LLMs produce explanations that often exceed the quality of crowdworkers' gold references. We conclude that the performance of today's LLMs can augment the CSS research pipeline in two ways: (1) serving as zero-shot data annotators on human annotation teams, and (2) bootstrapping challenging creative generation tasks (e.g., explaining the underlying attributes of a text). In summary, LLMs are posed to meaningfully participate in} social science analysis in partnership with humans.

A Latent Diffusion Model for Protein Structure Generation. (arXiv:2305.04120v2 [q-bio.BM] UPDATED)

Authors: Cong Fu, Keqiang Yan, Limei Wang, Wing Yee Au, Michael McThrow, Tao Komikado, Koji Maruhashi, Kanji Uchino, Xiaoning Qian, Shuiwang Ji

Proteins are complex biomolecules that perform a variety of crucial functions within living organisms. Designing and generating novel proteins can pave the way for many future synthetic biology applications, including drug discovery. However, it remains a challenging computational task due to the large modeling space of protein structures. In this study, we propose a latent diffusion model that can reduce the complexity of protein modeling while flexibly capturing the distribution of natural protein structures in a condensed latent space. Specifically, we propose an equivariant protein autoencoder that embeds proteins into a latent space and then uses an equivariant diffusion model to learn the distribution of the latent protein representations. Experimental results demonstrate that our method can effectively generate novel protein backbone structures with high designability and efficiency. The code will be made publicly available at https://github.com/divelab/AIRS/tree/main/OpenProt/LatentDiff

Control-A-Video: Controllable Text-to-Video Generation with Diffusion Models. (arXiv:2305.13840v2 [cs.CV] UPDATED)

Authors: Weifeng Chen, Yatai Ji, Jie Wu, Hefeng Wu, Pan Xie, Jiashi Li, Xin Xia, Xuefeng Xiao, Liang Lin

Recent advancements in diffusion models have unlocked unprecedented abilities in visual creation. However, current text-to-video generation models struggle with the trade-off among movement range, action coherence and object consistency. To mitigate this issue, we present a controllable text-to-video (T2V) diffusion model, called Control-A-Video, capable of maintaining consistency while customizable video synthesis. Based on a pre-trained conditional text-to-image (T2I) diffusion model, our model aims to generate videos conditioned on a sequence of control signals, such as edge or depth maps. For the purpose of improving object consistency, Control-A-Video integrates motion priors and content priors into video generation. We propose two motion-adaptive noise initialization strategies, which are based on pixel residual and optical flow, to introduce motion priors from input videos, producing more coherent videos. Moreover, a first-frame conditioned controller is proposed to generate videos from content priors of the first frame, which facilitates the semantic alignment with text and allows longer video generation in an auto-regressive manner. With the proposed architecture and strategies, our model achieves resource-efficient convergence and generate consistent and coherent videos with fine-grained control. Extensive experiments demonstrate its success in various video generative tasks such as video editing and video style transfer, outperforming previous methods in terms of consistency and quality.

From Pixels to UI Actions: Learning to Follow Instructions via Graphical User Interfaces. (arXiv:2306.00245v2 [cs.LG] UPDATED)

Authors: Peter Shaw, Mandar Joshi, James Cohan, Jonathan Berant, Panupong Pasupat, Hexiang Hu, Urvashi Khandelwal, Kenton Lee, Kristina Toutanova

Much of the previous work towards digital agents for graphical user interfaces (GUIs) has relied on text-based representations (derived from HTML or other structured data sources), which are not always readily available. These input representations have been often coupled with custom, task-specific action spaces. This paper focuses on creating agents that interact with the digital world using the same conceptual interface that humans commonly use -- via pixel-based screenshots and a generic action space corresponding to keyboard and mouse actions. Building upon recent progress in pixel-based pretraining, we show, for the first time, that it is possible for such agents to outperform human crowdworkers on the MiniWob++ benchmark of GUI-based instruction following tasks.

Loss-Optimal Classification Trees: A Generalized Framework and the Logistic Case. (arXiv:2306.00857v2 [stat.ML] UPDATED)

Authors: Tommaso Aldinucci, Matteo Lapucci

The Classification Tree (CT) is one of the most common models in interpretable machine learning. Although such models are usually built with greedy strategies, in recent years, thanks to remarkable advances in Mixer-Integer Programming (MIP) solvers, several exact formulations of the learning problem have been developed. In this paper, we argue that some of the most relevant ones among these training models can be encapsulated within a general framework, whose instances are shaped by the specification of loss functions and regularizers. Next, we introduce a novel realization of this framework: specifically, we consider the logistic loss, handled in the MIP setting by a linear piece-wise approximation, and couple it with $\ell_1$-regularization terms. The resulting Optimal Logistic Tree model numerically proves to be able to induce trees with enhanced interpretability features and competitive generalization capabilities, compared to the state-of-the-art MIP-based approaches.

DeepGraphDMD: Interpretable Spatio-Temporal Decomposition of Non-linear Functional Brain Network Dynamics. (arXiv:2306.03088v2 [cs.AI] UPDATED)

Authors: Md Asadullah Turja, Martin Styner, Guorong Wu

Functional brain dynamics is supported by parallel and overlapping functional network modes that are associated with specific neural circuits. Decomposing these network modes from fMRI data and finding their temporal characteristics is challenging due to their time-varying nature and the non-linearity of the functional dynamics. Dynamic Mode Decomposition (DMD) algorithms have been quite popular for solving this decomposition problem in recent years. In this work, we apply GraphDMD -- an extension of the DMD for network data -- to extract the dynamic network modes and their temporal characteristics from the fMRI time series in an interpretable manner. GraphDMD, however, regards the underlying system as a linear dynamical system that is sub-optimal for extracting the network modes from non-linear functional data. In this work, we develop a generalized version of the GraphDMD algorithm -- DeepGraphDMD -- applicable to arbitrary non-linear graph dynamical systems. DeepGraphDMD is an autoencoder-based deep learning model that learns Koopman eigenfunctions for graph data and embeds the non-linear graph dynamics into a latent linear space. We show the effectiveness of our method in both simulated data and the HCP resting-state fMRI data. In the HCP data, DeepGraphDMD provides novel insights into cognitive brain functions by discovering two major network modes related to fluid and crystallized intelligence.

Classical Verification of Quantum Learning. (arXiv:2306.04843v2 [quant-ph] UPDATED)

Authors: Matthias C. Caro, Marcel Hinsche, Marios Ioannou, Alexander Nietner, Ryan Sweke

Quantum data access and quantum processing can make certain classically intractable learning tasks feasible. However, quantum capabilities will only be available to a select few in the near future. Thus, reliable schemes that allow classical clients to delegate learning to untrusted quantum servers are required to facilitate widespread access to quantum learning advantages. Building on a recently introduced framework of interactive proof systems for classical machine learning, we develop a framework for classical verification of quantum learning. We exhibit learning problems that a classical learner cannot efficiently solve on their own, but that they can efficiently and reliably solve when interacting with an untrusted quantum prover. Concretely, we consider the problems of agnostic learning parities and Fourier-sparse functions with respect to distributions with uniform input marginal. We propose a new quantum data access model that we call "mixture-of-superpositions" quantum examples, based on which we give efficient quantum learning algorithms for these tasks. Moreover, we prove that agnostic quantum parity and Fourier-sparse learning can be efficiently verified by a classical verifier with only random example or statistical query access. Finally, we showcase two general scenarios in learning and verification in which quantum mixture-of-superpositions examples do not lead to sample complexity improvements over classical data. Our results demonstrate that the potential power of quantum data for learning tasks, while not unlimited, can be utilized by classical agents through interaction with untrusted quantum entities.

Data-Adaptive Probabilistic Likelihood Approximation for Ordinary Differential Equations. (arXiv:2306.05566v2 [stat.ML] UPDATED)

Authors: Mohan Wu, Martin Lysy

Estimating the parameters of ordinary differential equations (ODEs) is of fundamental importance in many scientific applications. While ODEs are typically approximated with deterministic algorithms, new research on probabilistic solvers indicates that they produce more reliable parameter estimates by better accounting for numerical errors. However, many ODE systems are highly sensitive to their parameter values. This produces deep local maxima in the likelihood function -- a problem which existing probabilistic solvers have yet to resolve. Here we present a novel probabilistic ODE likelihood approximation, DALTON, which can dramatically reduce parameter sensitivity by learning from noisy ODE measurements in a data-adaptive manner. Our approximation scales linearly in both ODE variables and time discretization points, and is applicable to ODEs with both partially-unobserved components and non-Gaussian measurement models. Several examples demonstrate that DALTON produces more accurate parameter estimates via numerical optimization than existing probabilistic ODE solvers, and even in some cases than the exact ODE likelihood itself.

Preserving privacy in domain transfer of medical AI models comes at no performance costs: The integral role of differential privacy. (arXiv:2306.06503v2 [cs.LG] UPDATED)

Authors: Soroosh Tayebi Arasteh, Mahshad Lotfinia, Teresa Nolte, Marwin Saehn, Peter Isfort, Christiane Kuhl, Sven Nebelung, Georgios Kaissis, Daniel Truhn

Developing robust and effective artificial intelligence (AI) models in medicine requires access to large amounts of patient data. The use of AI models solely trained on large multi-institutional datasets can help with this, yet the imperative to ensure data privacy remains, particularly as membership inference risks breaching patient confidentiality. As a proposed remedy, we advocate for the integration of differential privacy (DP). We specifically investigate the performance of models trained with DP as compared to models trained without DP on data from institutions that the model had not seen during its training (i.e., external validation) - the situation that is reflective of the clinical use of AI models. By leveraging more than 590,000 chest radiographs from five institutions, we evaluated the efficacy of DP-enhanced domain transfer (DP-DT) in diagnosing cardiomegaly, pleural effusion, pneumonia, atelectasis, and in identifying healthy subjects. We juxtaposed DP-DT with non-DP-DT and examined diagnostic accuracy and demographic fairness using the area under the receiver operating characteristic curve (AUC) as the main metric, as well as accuracy, sensitivity, and specificity. Our results show that DP-DT, even with exceptionally high privacy levels (epsilon around 1), performs comparably to non-DP-DT (P>0.119 across all domains). Furthermore, DP-DT led to marginal AUC differences - less than 1% - for nearly all subgroups, relative to non-DP-DT. Despite consistent evidence suggesting that DP models induce significant performance degradation for on-domain applications, we show that off-domain performance is almost not affected. Therefore, we ardently advocate for the adoption of DP in training diagnostic medical AI models, given its minimal impact on performance.

XAI-TRIS: Non-linear image benchmarks to quantify false positive post-hoc attribution of feature importance. (arXiv:2306.12816v2 [cs.LG] UPDATED)

Authors: Benedict Clark, Rick Wilming, Stefan Haufe

The field of 'explainable' artificial intelligence (XAI) has produced highly cited methods that seek to make the decisions of complex machine learning (ML) methods 'understandable' to humans, for example by attributing 'importance' scores to input features. Yet, a lack of formal underpinning leaves it unclear as to what conclusions can safely be drawn from the results of a given XAI method and has also so far hindered the theoretical verification and empirical validation of XAI methods. This means that challenging non-linear problems, typically solved by deep neural networks, presently lack appropriate remedies. Here, we craft benchmark datasets for three different non-linear classification scenarios, in which the important class-conditional features are known by design, serving as ground truth explanations. Using novel quantitative metrics, we benchmark the explanation performance of a wide set of XAI methods across three deep learning model architectures. We show that popular XAI methods are often unable to significantly outperform random performance baselines and edge detection methods. Moreover, we demonstrate that explanations derived from different model architectures can be vastly different; thus, prone to misinterpretation even under controlled conditions.

Universal Online Learning with Gradient Variations: A Multi-layer Online Ensemble Approach. (arXiv:2307.08360v2 [cs.LG] UPDATED)

Authors: Yu-Hu Yan, Peng Zhao, Zhi-Hua Zhou

In this paper, we propose an online convex optimization approach with two different levels of adaptivity. On a higher level, our approach is agnostic to the unknown types and curvatures of the online functions, while at a lower level, it can exploit the unknown niceness of the environments and attain problem-dependent guarantees. Specifically, we obtain $\mathcal{O}(\log V_T)$, $\mathcal{O}(d \log V_T)$ and $\widehat{\mathcal{O}}(\sqrt{V_T})$ regret bounds for strongly convex, exp-concave and convex loss functions, respectively, where $d$ is the dimension, $V_T$ denotes problem-dependent gradient variations and the $\widehat{\mathcal{O}}(\cdot)$-notation omits $\log V_T$ factors. Our result not only safeguards the worst-case guarantees but also directly implies the small-loss bounds in analysis. Moreover, when applied to adversarial/stochastic convex optimization and game theory problems, our result enhances the existing universal guarantees. Our approach is based on a multi-layer online ensemble framework incorporating novel ingredients, including a carefully designed optimism for unifying diverse function types and cascaded corrections for algorithmic stability. Notably, despite its multi-layer structure, our algorithm necessitates only one gradient query per round, making it favorable when the gradient evaluation is time-consuming. This is facilitated by a novel regret decomposition with carefully designed surrogate losses.

PAPR: Proximity Attention Point Rendering. (arXiv:2307.11086v2 [cs.CV] UPDATED)

Authors: Yanshu Zhang, Shichong Peng, Alireza Moazeni, Ke Li

Learning accurate and parsimonious point cloud representations of scene surfaces from scratch remains a challenge in 3D representation learning. Existing point-based methods often suffer from the vanishing gradient problem or require a large number of points to accurately model scene geometry and texture. To address these limitations, we propose Proximity Attention Point Rendering (PAPR), a novel method that consists of a point-based scene representation and a differentiable renderer. Our scene representation uses a point cloud where each point is characterized by its spatial position, influence score, and view-independent feature vector. The renderer selects the relevant points for each ray and produces accurate colours using their associated features. PAPR effectively learns point cloud positions to represent the correct scene geometry, even when the initialization drastically differs from the target geometry. Notably, our method captures fine texture details while using only a parsimonious set of points. We also demonstrate four practical applications of our method: zero-shot geometry editing, object manipulation, texture transfer, and exposure control. More results and code are available on our project website at https://zvict.github.io/papr/.

A Machine Learning Approach to Two-Stage Adaptive Robust Optimization. (arXiv:2307.12409v2 [cs.LG] UPDATED)

Authors: Dimitris Bertsimas, Cheol Woo Kim

We propose an approach based on machine learning to solve two-stage linear adaptive robust optimization (ARO) problems with binary here-and-now variables and polyhedral uncertainty sets. We encode the optimal here-and-now decisions, the worst-case scenarios associated with the optimal here-and-now decisions, and the optimal wait-and-see decisions into what we denote as the strategy. We solve multiple similar ARO instances in advance using the column and constraint generation algorithm and extract the optimal strategies to generate a training set. We train a machine learning model that predicts high-quality strategies for the here-and-now decisions, the worst-case scenarios associated with the optimal here-and-now decisions, and the wait-and-see decisions. We also introduce an algorithm to reduce the number of different target classes the machine learning algorithm needs to be trained on. We apply the proposed approach to the facility location, the multi-item inventory control and the unit commitment problems. Our approach solves ARO problems drastically faster than the state-of-the-art algorithms with high accuracy.

Non Intrusive Intelligibility Predictor for Hearing Impaired Individuals using Self Supervised Speech Representations. (arXiv:2307.13423v3 [cs.SD] UPDATED)

Authors: George Close, Thomas Hain, Stefan Goetze

Self-supervised speech representations (SSSRs) have been successfully applied to a number of speech-processing tasks, e.g. as feature extractor for speech quality (SQ) prediction, which is, in turn, relevant for assessment and training speech enhancement systems for users with normal or impaired hearing. However, exact knowledge of why and how quality-related information is encoded well in such representations remains poorly understood. In this work, techniques for non-intrusive prediction of SQ ratings are extended to the prediction of intelligibility for hearing-impaired users. It is found that self-supervised representations are useful as input features to non-intrusive prediction models, achieving competitive performance to more complex systems. A detailed analysis of the performance depending on Clarity Prediction Challenge 1 listeners and enhancement systems indicates that more data might be needed to allow generalisation to unknown systems and (hearing-impaired) individuals

Are Transformers with One Layer Self-Attention Using Low-Rank Weight Matrices Universal Approximators?. (arXiv:2307.14023v2 [cs.LG] UPDATED)

Authors: Tokio Kajitsuka, Issei Sato

Existing analyses of the expressive capacity of Transformer models have required excessively deep layers for data memorization, leading to a discrepancy with the Transformers actually used in practice. This is primarily due to the interpretation of the softmax function as an approximation of the hardmax function. By clarifying the connection between the softmax function and the Boltzmann operator, we prove that a single layer of self-attention with low-rank weight matrices possesses the capability to perfectly capture the context of an entire input sequence. As a consequence, we show that one-layer and single-head Transformers have a memorization capacity for finite samples, and that Transformers consisting of one self-attention layer with two feed-forward neural networks are universal approximators for continuous permutation equivariant functions on a compact domain.

Towards Grounded Visual Spatial Reasoning in Multi-Modal Vision Language Models. (arXiv:2308.09778v2 [cs.CV] UPDATED)

Authors: Navid Rajabi, Jana Kosecka

With pre-training of vision-and-language models (VLMs) on large-scale datasets of image-text pairs, several recent works showed that these pre-trained models lack fine-grained understanding, such as the ability to count and recognize verbs, attributes, or relationships. The focus of this work is to study the ability of these models to understand spatial relations. Previously, this has been tackled using image-text matching (e.g., Visual Spatial Reasoning benchmark) or visual question answering (e.g., GQA or VQAv2), both showing poor performance and a large gap compared to human performance. In this work, we use explainability tools to understand the causes of poor performance better and present an alternative fine-grained, compositional approach for ranking spatial clauses. We combine the evidence from grounding noun phrases corresponding to objects and their locations to compute the final rank of the spatial clause. We demonstrate the approach on representative VLMs (such as LXMERT, GPV, and MDETR) and compare and highlight their abilities to reason about spatial relationships.

Attention-Driven Multi-Modal Fusion: Enhancing Sign Language Recognition and Translation. (arXiv:2309.01860v3 [cs.CV] UPDATED)

Authors: Zaber Ibn Abdul Hakim, Rasman Mubtasim Swargo, Muhammad Abdullah Adnan

In this paper, we devise a mechanism for the addition of multi-modal information with an existing pipeline for continuous sign language recognition and translation. In our procedure, we have incorporated optical flow information with RGB images to enrich the features with movement-related information. This work studies the feasibility of such modality inclusion using a cross-modal encoder. The plugin we have used is very lightweight and doesn't need to include a separate feature extractor for the new modality in an end-to-end manner. We have applied the changes in both sign language recognition and translation, improving the result in each case. We have evaluated the performance on the RWTH-PHOENIX-2014 dataset for sign language recognition and the RWTH-PHOENIX-2014T dataset for translation. On the recognition task, our approach reduced the WER by 0.9, and on the translation task, our approach increased most of the BLEU scores by ~0.6 on the test set.

Large Language Models as Optimizers. (arXiv:2309.03409v2 [cs.LG] UPDATED)

Authors: Chengrun Yang, Xuezhi Wang, Yifeng Lu, Hanxiao Liu, Quoc V. Le, Denny Zhou, Xinyun Chen

Optimization is ubiquitous. While derivative-based algorithms have been powerful tools for various problems, the absence of gradient imposes challenges on many real-world applications. In this work, we propose Optimization by PROmpting (OPRO), a simple and effective approach to leverage large language models (LLMs) as optimizers, where the optimization task is described in natural language. In each optimization step, the LLM generates new solutions from the prompt that contains previously generated solutions with their values, then the new solutions are evaluated and added to the prompt for the next optimization step. We first showcase OPRO on linear regression and traveling salesman problems, then move on to prompt optimization where the goal is to find instructions that maximize the task accuracy. With a variety of LLMs, we demonstrate that the best prompts optimized by OPRO outperform human-designed prompts by up to 8% on GSM8K, and by up to 50% on Big-Bench Hard tasks. Code at https://github.com/google-deepmind/opro.

TSGBench: Time Series Generation Benchmark. (arXiv:2309.03755v2 [cs.LG] UPDATED)

Authors: Yihao Ang, Qiang Huang, Yifan Bao, Anthony K. H. Tung, Zhiyong Huang

Synthetic Time Series Generation (TSG) is crucial in a range of applications, including data augmentation, anomaly detection, and privacy preservation. Although significant strides have been made in this field, existing methods exhibit three key limitations: (1) They often benchmark against similar model types, constraining a holistic view of performance capabilities. (2) The use of specialized synthetic and private datasets introduces biases and hampers generalizability. (3) Ambiguous evaluation measures, often tied to custom networks or downstream tasks, hinder consistent and fair comparison.

To overcome these limitations, we introduce \textsf{TSGBench}, the inaugural Time Series Generation Benchmark, designed for a unified and comprehensive assessment of TSG methods. It comprises three modules: (1) a curated collection of publicly available, real-world datasets tailored for TSG, together with a standardized preprocessing pipeline; (2) a comprehensive evaluation measures suite including vanilla measures, new distance-based assessments, and visualization tools; (3) a pioneering generalization test rooted in Domain Adaptation (DA), compatible with all methods. We have conducted comprehensive experiments using \textsf{TSGBench} across a spectrum of ten real-world datasets from diverse domains, utilizing ten advanced TSG methods and twelve evaluation measures. The results highlight the reliability and efficacy of \textsf{TSGBench} in evaluating TSG methods. Crucially, \textsf{TSGBench} delivers a statistical analysis of the performance rankings of these methods, illuminating their varying performance across different datasets and measures and offering nuanced insights into the effectiveness of each method.

Calibration in Machine Learning Uncertainty Quantification: beyond consistency to target adaptivity. (arXiv:2309.06240v2 [stat.ML] UPDATED)

Authors: Pascal Pernot

Reliable uncertainty quantification (UQ) in machine learning (ML) regression tasks is becoming the focus of many studies in materials and chemical science. It is now well understood that average calibration is insufficient, and most studies implement additional methods testing the conditional calibration with respect to uncertainty, i.e. consistency. Consistency is assessed mostly by so-called reliability diagrams. There exists however another way beyond average calibration, which is conditional calibration with respect to input features, i.e. adaptivity. In practice, adaptivity is the main concern of the final users of a ML-UQ method, seeking for the reliability of predictions and uncertainties for any point in features space. This article aims to show that consistency and adaptivity are complementary validation targets, and that a good consistency does not imply a good adaptivity. Adapted validation methods are proposed and illustrated on a representative example.

ACE: A fast, skillful learned global atmospheric model for climate prediction. (arXiv:2310.02074v2 [physics.ao-ph] UPDATED)

Authors: Oliver Watt-Meyer, Gideon Dresdner, Jeremy McGibbon, Spencer K. Clark, Brian Henn, James Duncan, Noah D. Brenowitz, Karthik Kashinath, Michael S. Pritchard, Boris Bonev, Matthew E. Peters, Christopher S. Bretherton

Existing ML-based atmospheric models are not suitable for climate prediction, which requires long-term stability and physical consistency. We present ACE (AI2 Climate Emulator), a 200M-parameter, autoregressive machine learning emulator of an existing comprehensive 100-km resolution global atmospheric model. The formulation of ACE allows evaluation of physical laws such as the conservation of mass and moisture. The emulator is stable for 100 years, nearly conserves column moisture without explicit constraints and faithfully reproduces the reference model's climate, outperforming a challenging baseline on over 90% of tracked variables. ACE requires nearly 100x less wall clock time and is 100x more energy efficient than the reference model using typically available resources. Without fine-tuning, ACE can stably generalize to a previously unseen historical sea surface temperature dataset.

Practical, Private Assurance of the Value of Collaboration. (arXiv:2310.02563v2 [cs.CR] UPDATED)

Authors: Hassan Jameel Asghar, Zhigang Lu, Zhongrui Zhao, Dali Kaafar

Two parties wish to collaborate on their datasets. However, before they reveal their datasets to each other, the parties want to have the guarantee that the collaboration would be fruitful. We look at this problem from the point of view of machine learning, where one party is promised an improvement on its prediction model by incorporating data from the other party. The parties would only wish to collaborate further if the updated model shows an improvement in accuracy. Before this is ascertained, the two parties would not want to disclose their models and datasets. In this work, we construct an interactive protocol for this problem based on the fully homomorphic encryption scheme over the Torus (TFHE) and label differential privacy, where the underlying machine learning model is a neural network. Label differential privacy is used to ensure that computations are not done entirely in the encrypted domain, which is a significant bottleneck for neural network training according to the current state-of-the-art FHE implementations. We prove the security of our scheme in the universal composability framework assuming honest-but-curious parties, but where one party may not have any expertise in labelling its initial dataset. Experiments show that we can obtain the output, i.e., the accuracy of the updated model, with time many orders of magnitude faster than a protocol using entirely FHE operations.

LIPEx-Locally Interpretable Probabilistic Explanations-To Look Beyond The True Class. (arXiv:2310.04856v2 [cs.LG] UPDATED)

Authors: Hongbo Zhu, Angelo Cangelosi, Procheta Sen, Anirbit Mukherjee

In this work, we instantiate a novel perturbation-based multi-class explanation framework, LIPEx (Locally Interpretable Probabilistic Explanation). We demonstrate that LIPEx not only locally replicates the probability distributions output by the widely used complex classification models but also provides insight into how every feature deemed to be important affects the prediction probability for each of the possible classes. We achieve this by defining the explanation as a matrix obtained via regression with respect to the Hellinger distance in the space of probability distributions. Ablation tests on text and image data, show that LIPEx-guided removal of important features from the data causes more change in predictions for the underlying model than similar tests based on other saliency-based or feature importance-based Explainable AI (XAI) methods. It is also shown that compared to LIME, LIPEx is more data efficient in terms of using a lesser number of perturbations of the data to obtain a reliable explanation. This data-efficiency is seen to manifest as LIPEx being able to compute its explanation matrix around 53% faster than all-class LIME, for classification experiments with text data.

Growing ecosystem of deep learning methods for modeling protein$\unicode{x2013}$protein interactions. (arXiv:2310.06725v2 [q-bio.BM] UPDATED)

Authors: Julia R. Rogers, Gergő Nikolényi, Mohammed AlQuraishi

Numerous cellular functions rely on protein$\unicode{x2013}$protein interactions. Efforts to comprehensively characterize them remain challenged however by the diversity of molecular recognition mechanisms employed within the proteome. Deep learning has emerged as a promising approach for tackling this problem by exploiting both experimental data and basic biophysical knowledge about protein interactions. Here, we review the growing ecosystem of deep learning methods for modeling protein interactions, highlighting the diversity of these biophysically-informed models and their respective trade-offs. We discuss recent successes in using representation learning to capture complex features pertinent to predicting protein interactions and interaction sites, geometric deep learning to reason over protein structures and predict complex structures, and generative modeling to design de novo protein assemblies. We also outline some of the outstanding challenges and promising new directions. Opportunities abound to discover novel interactions, elucidate their physical mechanisms, and engineer binders to modulate their functions using deep learning and, ultimately, unravel how protein interactions orchestrate complex cellular behaviors.

Emergence of Latent Binary Encoding in Deep Neural Network Classifiers. (arXiv:2310.08224v2 [cs.LG] UPDATED)

Authors: Luigi Sbailò, Luca Ghiringhelli

We observe the emergence of binary encoding within the latent space of deep-neural-network classifiers. Such binary encoding is induced by introducing a linear penultimate layer, which is equipped during training with a loss function that grows as $\exp(\vec{x}^2)$, where $\vec{x}$ are the coordinates in the latent space. The phenomenon we describe represents a specific instance of a well-documented occurrence known as \textit{neural collapse}, which arises in the terminal phase of training and entails the collapse of latent class means to the vertices of a simplex equiangular tight frame (ETF). We show that binary encoding accelerates convergence toward the simplex ETF and enhances classification accuracy.

Optimizing K-means for Big Data: A Comparative Study. (arXiv:2310.09819v2 [cs.LG] UPDATED)

Authors: Ravil Mussabayev, Rustam Mussabayev

This paper presents a comparative analysis of different optimization techniques for the K-means algorithm in the context of big data. K-means is a widely used clustering algorithm, but it can suffer from scalability issues when dealing with large datasets. The paper explores different approaches to overcome these issues, including parallelization, approximation, and sampling methods. The authors evaluate the performance of these techniques on various benchmark datasets and compare them in terms of speed, quality of clustering, and scalability according to the LIMA dominance criterion. The results show that different techniques are more suitable for different types of datasets and provide insights into the trade-offs between speed and accuracy in K-means clustering for big data. Overall, the paper offers a comprehensive guide for practitioners and researchers on how to optimize K-means for big data applications.

Inverse distance weighting attention. (arXiv:2310.18805v2 [cs.LG] UPDATED)

Authors: Calvin McCarter

We report the effects of replacing the scaled dot-product (within softmax) attention with the negative-log of Euclidean distance. This form of attention simplifies to inverse distance weighting interpolation. Used in simple one hidden layer networks and trained with vanilla cross-entropy loss on classification problems, it tends to produce a key matrix containing prototypes and a value matrix with corresponding logits. We also show that the resulting interpretable networks can be augmented with manually-constructed prototypes to perform low-impact handling of special cases.

Efficient LLM Inference on CPUs. (arXiv:2311.00502v2 [cs.LG] UPDATED)

Authors: Haihao Shen, Hanwen Chang, Bo Dong, Yu Luo, Hengyu Meng

Large language models (LLMs) have demonstrated remarkable performance and tremendous potential across a wide range of tasks. However, deploying these models has been challenging due to the astronomical amount of model parameters, which requires a demand for large memory capacity and high memory bandwidth. In this paper, we propose an effective approach that can make the deployment of LLMs more efficiently. We support an automatic INT4 weight-only quantization flow and design a special LLM runtime with highly-optimized kernels to accelerate the LLM inference on CPUs. We demonstrate the general applicability of our approach on popular LLMs including Llama2, Llama, GPT-NeoX, and showcase the extreme inference efficiency on CPUs. The code is publicly available at: https://github.com/intel/intel-extension-for-transformers.

Retrieval-Based Reconstruction For Time-series Contrastive Learning. (arXiv:2311.00519v2 [cs.LG] UPDATED)

Authors: Maxwell A. Xu, Alexander Moreno, Hui Wei, Benjamin M. Marlin, James M. Rehg

The success of self-supervised contrastive learning hinges on identifying positive data pairs that, when pushed together in embedding space, encode useful information for subsequent downstream tasks. However, in time-series, this is challenging because creating positive pairs via augmentations may break the original semantic meaning. We hypothesize that if we can retrieve information from one subsequence to successfully reconstruct another subsequence, then they should form a positive pair. Harnessing this intuition, we introduce our novel approach: REtrieval-BAsed Reconstruction (REBAR) contrastive learning. First, we utilize a convolutional cross-attention architecture to calculate the REBAR error between two different time-series. Then, through validation experiments, we show that the REBAR error is a predictor of mutual class membership, justifying its usage as a positive/negative labeler. Finally, once integrated into a contrastive learning framework, our REBAR method can learn an embedding that achieves state-of-the-art performance on downstream tasks across various modalities.

Bayesian Methods for Media Mix Modelling with shape and funnel effects. (arXiv:2311.05587v3 [cs.LG] UPDATED)

Authors: Javier Marin

In recent years, significant progress in generative AI has highlighted the important role of physics-inspired models that utilize advanced mathematical concepts based on fundamental physics principles to enhance artificial intelligence capabilities. Among these models, those based on diffusion equations have greatly improved image quality. This study aims to explore the potential uses of Maxwell-Boltzmann equation, which forms the basis of the kinetic theory of gases, and the Michaelis-Menten model in Marketing Mix Modelling (MMM) applications. We propose incorporating these equations into Hierarchical Bayesian models to analyse consumer behaviour in the context of advertising. These equation sets excel in accurately describing the random dynamics in complex systems like social interactions and consumer-advertising interactions.

Activity Sparsity Complements Weight Sparsity for Efficient RNN Inference. (arXiv:2311.07625v2 [cs.LG] UPDATED)

Authors: Rishav Mukherji, Mark Schöne, Khaleelulla Khan Nazeer, Christian Mayr, Anand Subramoney

Artificial neural networks open up unprecedented machine learning capabilities at the cost of ever growing computational requirements. Sparsifying the parameters, often achieved through weight pruning, has been identified as a powerful technique to compress the number of model parameters and reduce the computational operations of neural networks. Yet, sparse activations, while omnipresent in both biological neural networks and deep learning systems, have not been fully utilized as a compression technique in deep learning. Moreover, the interaction between sparse activations and weight pruning is not fully understood. In this work, we demonstrate that activity sparsity can compose multiplicatively with parameter sparsity in a recurrent neural network model based on the GRU that is designed to be activity sparse. We achieve up to $20\times$ reduction of computation while maintaining perplexities below $60$ on the Penn Treebank language modeling task. This magnitude of reduction has not been achieved previously with solely sparsely connected LSTMs, and the language modeling performance of our model has not been achieved previously with any sparsely activated recurrent neural networks or spiking neural networks. Neuromorphic computing devices are especially good at taking advantage of the dynamic activity sparsity, and our results provide strong evidence that making deep learning models activity sparse and porting them to neuromorphic devices can be a viable strategy that does not compromise on task performance. Our results also drive further convergence of methods from deep learning and neuromorphic computing for efficient machine learning.

ExpM+NF Tractable Exponential Mechanism via Normalizing Flow, A Path through the Accuracy-Privacy Ceiling Constraining Differentially Private ML. (arXiv:2311.09200v2 [stat.ML] UPDATED)

Authors: Robert A. Bridges, Vandy J. Tombs, Christopher B. Stanley

The Exponential Mechanism (ExpM), a differentially private optimization method, promises many advantages over Differentially Private Stochastic Gradient Descent (DPSGD), the state-of-the-art (SOTA) and de facto method for differentially private machine learning (ML). Yet, ExpM has been historically stymied from differentially private training of modern ML algorithms by two obstructions: ExpM requires a sensitivity bound for the given loss function; ExpM requires sampling from a historically intractable density. We prove a sensitivity bound for $\ell(2)$ loss, and investigate using Normalizing Flows (NFs), deep networks furnishing approximate sampling from the otherwise intractable ExpM distribution. We prove that as the NF output converges to ExpM distribution, the privacy ($\varepsilon$) of an NF sample converges to that of the ExpM distribution. Under the assumption that the NF output distribution is the ExpM distribution, we empirically test ExpM+NF against DPSGD using the SOTA implementation (Opacus \cite{opacus} with PRV accounting) in multiple classification tasks on the Adult Dataset (census data) and MIMIC-III Dataset (healthcare records) using Logistic Regression and GRU-D, a deep learning recurrent neural network with \smallsim 20K-100K parameters. In all experiments we find ExpM+NF achieves greater than 94\% of the non-private training accuracy (AUC) with $\varepsilon$-DP for $\varepsilon$ a low as $1\mathrm{e}{-3}$ -- three orders of magnitude stronger privacy with similar accuracy. Further, performance results show ExpM+NF training time is comparable to (slightly less) than DPSGD. Limitations and future directions are provided; notably, research on NF approximation accuracy and its effect on privacy are a promising avenue to substantially advancing the field. Code for these experiments \hl{will be provided after review}.

Video Face Re-Aging: Toward Temporally Consistent Face Re-Aging. (arXiv:2311.11642v2 [cs.CV] UPDATED)

Authors: Abdul Muqeet, Kyuchul Lee, Bumsoo Kim, Yohan Hong, Hyungrae Lee, Woonggon Kim, KwangHee Lee

Video face re-aging deals with altering the apparent age of a person to the target age in videos. This problem is challenging due to the lack of paired video datasets maintaining temporal consistency in identity and age. Most re-aging methods process each image individually without considering the temporal consistency of videos. While some existing works address the issue of temporal coherence through video facial attribute manipulation in latent space, they often fail to deliver satisfactory performance in age transformation. To tackle the issues, we propose (1) a novel synthetic video dataset that features subjects across a diverse range of age groups; (2) a baseline architecture designed to validate the effectiveness of our proposed dataset, and (3) the development of three novel metrics tailored explicitly for evaluating the temporal consistency of video re-aging techniques. Our comprehensive experiments on public datasets, such as VFHQ and CelebV-HQ, show that our method outperforms the existing approaches in terms of both age transformation and temporal consistency.

Training Deep 3D Convolutional Neural Networks to Extract BSM Physics Parameters Directly from HEP Data: a Proof-of-Concept Study Using Monte Carlo Simulations. (arXiv:2311.13060v2 [hep-ex] UPDATED)

Authors: S. Dubey, T.E. Browder, S.Kohani, R. Mandal, A. Sibidanov, R. Sinha

We report on a novel application of computer vision techniques to extract beyond the Standard Model (BSM) parameters directly from high energy physics (HEP) flavor data. We develop a method of transforming angular and kinematic distributions into "quasi-images" that can be used to train a convolutional neural network to perform regression tasks, similar to fitting. This contrasts with the usual classification functions performed using ML/AI in HEP. As a proof-of-concept, we train a 34-layer Residual Neural Network to regress on these images and determine the Wilson Coefficient $C_{9}$ in MC (Monte Carlo) simulations of $B \rightarrow K^{*}\mu^{+}\mu^{-}$ decays. The technique described here can be generalized and may find applicability across various HEP experiments and elsewhere.

Recurrent neural networks and transfer learning for elasto-plasticity in woven composites. (arXiv:2311.13434v2 [cond-mat.mtrl-sci] UPDATED)

Authors: Ehsan Ghane, Martin Fagerström, Mohsen Mirkhalaf

As a surrogate for computationally intensive meso-scale simulation of woven composites, this article presents Recurrent Neural Network (RNN) models. Leveraging the power of transfer learning, the initialization challenges and sparse data issues inherent in cyclic shear strain loads are addressed in the RNN models. A mean-field model generates a comprehensive data set representing elasto-plastic behavior. In simulations, arbitrary six-dimensional strain histories are used to predict stresses under random walking as the source task and cyclic loading conditions as the target task. Incorporating sub-scale properties enhances RNN versatility. In order to achieve accurate predictions, the model uses a grid search method to tune network architecture and hyper-parameter configurations. The results of this study demonstrate that transfer learning can be used to effectively adapt the RNN to varying strain conditions, which establishes its potential as a useful tool for modeling path-dependent responses in woven composites.

A Parameterized Generative Adversarial Network Using Cyclic Projection for Explainable Medical Image Classification. (arXiv:2311.14388v2 [cs.CV] UPDATED)

Authors: Xiangyu Xiong, Yue Sun, Xiaohong Liu, Chan-Tong Lam, Tong Tong, Hao Chen, Qinquan Gao, Wei Ke, Tao Tan

Although current data augmentation methods are successful to alleviate the data insufficiency, conventional augmentation are primarily intra-domain while advanced generative adversarial networks (GANs) generate images remaining uncertain, particularly in small-scale datasets. In this paper, we propose a parameterized GAN (ParaGAN) that effectively controls the changes of synthetic samples among domains and highlights the attention regions for downstream classification. Specifically, ParaGAN incorporates projection distance parameters in cyclic projection and projects the source images to the decision boundary to obtain the class-difference maps. Our experiments show that ParaGAN can consistently outperform the existing augmentation methods with explainable classification on two small-scale medical datasets.

FRAC-Q-Learning: A Reinforcement Learning with Boredom Avoidance Processes for Social Robots. (arXiv:2311.15327v2 [cs.RO] UPDATED)

Authors: Akinari Onishi

The reinforcement learning algorithms have often been applied to social robots. However, most reinforcement learning algorithms were not optimized for the use of social robots, and consequently they may bore users. We proposed a new reinforcement learning method specialized for the social robot, the FRAC-Q-learning, that can avoid user boredom. The proposed algorithm consists of a forgetting process in addition to randomizing and categorizing processes. This study evaluated interest and boredom hardness scores of the FRAC-Q-learning by a comparison with the traditional Q-learning. The FRAC-Q-learning showed significantly higher trend of interest score, and indicated significantly harder to bore users compared to the traditional Q-learning. Therefore, the FRAC-Q-learning can contribute to develop a social robot that will not bore users. The proposed algorithm can also find applications in Web-based communication and educational systems. This paper presents the entire process, detailed implementation and a detailed evaluation method of the of the FRAC-Q-learning for the first time.

From Prediction to Action: Critical Role of Performance Estimation for Machine-Learning-Driven Materials Discovery. (arXiv:2311.15549v2 [cond-mat.mtrl-sci] UPDATED)

Authors: Mario Boley, Felix Luong, Simon Teshuva, Daniel F Schmidt, Lucas Foppa, Matthias Scheffler

Materials discovery driven by statistical property models is an iterative decision process, during which an initial data collection is extended with new data proposed by a model-informed acquisition function--with the goal to maximize a certain "reward" over time, such as the maximum property value discovered so far. While the materials science community achieved much progress in developing property models that predict well on average with respect to the training distribution, this form of in-distribution performance measurement is not directly coupled with the discovery reward. This is because an iterative discovery process has a shifting reward distribution that is over-proportionally determined by the model performance for exceptional materials. We demonstrate this problem using the example of bulk modulus maximization among double perovskite oxides. We find that the in-distribution predictive performance suggests random forests as superior to Gaussian process regression, while the results are inverse in terms of the discovery rewards. We argue that the lack of proper performance estimation methods from pre-computed data collections is a fundamental problem for improving data-driven materials discovery, and we propose a novel such estimator that, in contrast to na\"ive reward estimation, successfully predicts Gaussian processes with the "expected improvement" acquisition function as the best out of four options in our demonstrational study for double perovskites. Importantly, it does so without requiring the over thousand ab initio computations that were needed to confirm this prediction.

On the Interplay Between Stepsize Tuning and Progressive Sharpening. (arXiv:2312.00209v2 [cs.LG] UPDATED)

Authors: Vincent Roulet, Atish Agarwala, Fabian Pedregosa

Recent empirical work has revealed an intriguing property of deep learning models by which the sharpness (largest eigenvalue of the Hessian) increases throughout optimization until it stabilizes around a critical value at which the optimizer operates at the edge of stability, given a fixed stepsize (Cohen et al, 2022). We investigate empirically how the sharpness evolves when using stepsize-tuners, the Armijo linesearch and Polyak stepsizes, that adapt the stepsize along the iterations to local quantities such as, implicitly, the sharpness itself. We find that the surprisingly poor performance of a classical Armijo linesearch may be well explained by its tendency to ever-increase the sharpness of the objective in the full or large batch regimes. On the other hand, we observe that Polyak stepsizes operate generally at the edge of stability or even slightly beyond, while outperforming its Armijo and constant stepsizes counterparts. We conclude with an analysis that suggests unlocking stepsize tuners requires an understanding of the joint dynamics of the step size and the sharpness.

Towards Clinical Prediction with Transparency: An Explainable AI Approach to Survival Modelling in Residential Aged Care. (arXiv:2312.00271v2 [cs.LG] UPDATED)

Authors: Teo Susnjak, Elise Griffin, Mitchell McCutcheon, Kathleen Potter

Background: Accurate survival time estimates aid end-of-life medical decision-making. Objectives: Develop an interpretable survival model for elderly residential aged care residents using advanced machine learning. Setting: A major Australasian residential aged care provider. Participants: Residents aged 65+ admitted for long-term care from July 2017 to August 2023. Sample size: 11,944 residents across 40 facilities. Predictors: Factors include age, gender, health status, co-morbidities, cognitive function, mood, nutrition, mobility, smoking, sleep, skin integrity, and continence. Outcome: Probability of survival post-admission, specifically calibrated for 6-month survival estimates. Statistical Analysis: Tested CoxPH, EN, RR, Lasso, GB, XGB, and RF models in 20 experiments with a 90/10 train/test split. Evaluated accuracy using C-index, Harrell's C-index, dynamic AUROC, IBS, and calibrated ROC. Chose XGB for its performance and calibrated it for 1, 3, 6, and 12-month predictions using Platt scaling. Employed SHAP values to analyze predictor impacts. Results: GB, XGB, and RF models showed the highest C-Index values (0.714, 0.712, 0.712). The optimal XGB model demonstrated a 6-month survival prediction AUROC of 0.746 (95% CI 0.744-0.749). Key mortality predictors include age, male gender, mobility, health status, pressure ulcer risk, and appetite. Conclusions: The study successfully applies machine learning to create a survival model for aged care, aligning with clinical insights on mortality risk factors and enhancing model interpretability and clinical utility through explainable AI.

Distributed Bayesian Estimation in Sensor Networks: Consensus on Marginal Densities. (arXiv:2312.01227v2 [cs.LG] UPDATED)

Authors: Parth Paritosh, Nikolay Atanasov, Sonia Martinez

In this paper, we aim to design and analyze distributed Bayesian estimation algorithms for sensor networks. The challenges we address are to (i) derive a distributed provably-correct algorithm in the functional space of probability distributions over continuous variables, and (ii) leverage these results to obtain new distributed estimators restricted to subsets of variables observed by individual agents. This relates to applications such as cooperative localization and federated learning, where the data collected at any agent depends on a subset of all variables of interest. We present Bayesian density estimation algorithms using data from non-linear likelihoods at agents in centralized, distributed, and marginal distributed settings. After setting up a distributed estimation objective, we prove almost-sure convergence to the optimal set of pdfs at each agent. Then, we prove the same for a storage-aware algorithm estimating densities only over relevant variables at each agent. Finally, we present a Gaussian version of these algorithms and implement it in a mapping problem using variational inference to handle non-linear likelihood models associated with LiDAR sensing.

Evaluation of Active Feature Acquisition Methods for Time-varying Feature Settings. (arXiv:2312.01530v2 [stat.ML] UPDATED)

Authors: Henrik von Kleist, Alireza Zamanian, Ilya Shpitser, Narges Ahmidi

Machine learning methods often assume input features are available at no cost. However, in domains like healthcare, where acquiring features could be expensive or harmful, it is necessary to balance a feature's acquisition cost against its predictive value. The task of training an AI agent to decide which features to acquire is called active feature acquisition (AFA). By deploying an AFA agent, we effectively alter the acquisition strategy and trigger a distribution shift. To safely deploy AFA agents under this distribution shift, we present the problem of active feature acquisition performance evaluation (AFAPE). We examine AFAPE under i) a no direct effect (NDE) assumption, stating that acquisitions don't affect the underlying feature values; and ii) a no unobserved confounding (NUC) assumption, stating that retrospective feature acquisition decisions were only based on observed features. We show that one can apply offline reinforcement learning under the NUC assumption and missing data methods under the NDE assumption. When NUC and NDE hold, we propose a novel semi-offline reinforcement learning framework, which requires a weaker positivity assumption and yields more data-efficient estimators. We introduce three novel estimators: a direct method (DM), an inverse probability weighting (IPW), and a double reinforcement learning (DRL) estimator.

How Many Validation Labels Do You Need? Exploring the Design Space of Label-Efficient Model Ranking. (arXiv:2312.01619v2 [cs.LG] UPDATED)

Authors: Zhengyu Hu, Jieyu Zhang, Yue Yu, Yuchen Zhuang, Hui Xiong

The paper introduces LEMR, a framework that reduces annotation costs for model selection tasks. Our approach leverages ensemble methods to generate pseudo-labels, employs uncertainty sampling for target acquisition, and utilizes a Z-score mechanism for iterative committee reelection to refine model ranks. We present a systematic study across various selection metrics, demonstrating that LEMR achieves comparable results to fully labeled datasets with a fraction of the labeling budget. Our findings indicate that LEMR not only economizes the labeling effort in weak supervision and semi-supervised learning settings but also effectively guides prompt selection for large language models. With extensive experiments across 23 tasks, we reveal that our framework can dramatically decrease the labeling cost without compromising the accuracy of model selection, thereby offering a cost-effective alternative to traditional practices.

Unsupervised Video Domain Adaptation with Masked Pre-Training and Collaborative Self-Training. (arXiv:2312.02914v2 [cs.CV] UPDATED)

Authors: Arun Reddy, William Paul, Corban Rivera, Ketul Shah, Celso M. de Melo, Rama Chellappa

In this work, we tackle the problem of unsupervised domain adaptation (UDA) for video action recognition. Our approach, which we call UNITE, uses an image teacher model to adapt a video student model to the target domain. UNITE first employs self-supervised pre-training to promote discriminative feature learning on target domain videos using a teacher-guided masked distillation objective. We then perform self-training on masked target data, using the video student model and image teacher model together to generate improved pseudolabels for unlabeled target videos. Our self-training process successfully leverages the strengths of both models to achieve strong transfer performance across domains. We evaluate our approach on multiple video domain adaptation benchmarks and observe significant improvements upon previously reported results.

Detecting algorithmic bias in medical AI-models. (arXiv:2312.02959v2 [stat.ML] UPDATED)

Authors: Jeffrey Smith, Andre Holder, Rishikesan Kamaleswaran, Yao Xie

With the growing prevalence of machine learning and artificial intelligence-based medical decision support systems, it is equally important to ensure that these systems provide patient outcomes in a fair and equitable fashion. This paper presents an innovative framework for detecting areas of algorithmic bias in medical-AI decision support systems. Our approach efficiently identifies potential biases in medical-AI models, specifically in the context of sepsis prediction, by employing the Classification and Regression Trees (CART) algorithm. We verify our methodology by conducting a series of synthetic data experiments, showcasing its ability to estimate areas of bias in controlled settings precisely. The effectiveness of the concept is further validated by experiments using electronic medical records from Grady Memorial Hospital in Atlanta, Georgia. These tests demonstrate the practical implementation of our strategy in a clinical environment, where it can function as a vital instrument for guaranteeing fairness and equity in AI-based medical decisions.

Domain Invariant Representation Learning and Sleep Dynamics Modeling for Automatic Sleep Staging. (arXiv:2312.03196v2 [cs.LG] UPDATED)

Authors: Seungyeon Lee, Thai-Hoang Pham, Zhao Cheng, Ping Zhang

Sleep staging has become a critical task in diagnosing and treating sleep disorders to prevent sleep related diseases. With rapidly growing large scale public sleep databases and advances in machine learning, significant progress has been made toward automatic sleep staging. However, previous studies face some critical problems in sleep studies; the heterogeneity of subjects' physiological signals, the inability to extract meaningful information from unlabeled sleep signal data to improve predictive performances, the difficulty in modeling correlations between sleep stages, and the lack of an effective mechanism to quantify predictive uncertainty. In this study, we propose a neural network based automatic sleep staging model, named DREAM, to learn domain generalized representations from physiological signals and models sleep dynamics. DREAM learns sleep related and subject invariant representations from diverse subjects' sleep signal segments and models sleep dynamics by capturing interactions between sequential signal segments and between sleep stages. In the experiments, we demonstrate that DREAM outperforms the existing sleep staging methods on three datasets. The case study demonstrates that our model can learn the generalized decision function resulting in good prediction performances for the new subjects, especially in case there are differences between testing and training subjects. The usage of unlabeled data shows the benefit of leveraging unlabeled EEG data. Further, uncertainty quantification demonstrates that DREAM provides prediction uncertainty, making the model reliable and helping sleep experts in real world applications.

SVQ: Sparse Vector Quantization for Spatiotemporal Forecasting. (arXiv:2312.03406v2 [cs.CV] UPDATED)

Authors: Chao Chen, Tian Zhou, Yanjun Zhao, Hui Liu, Liang Sun, Rong Jin

Spatiotemporal forecasting tasks, such as weather forecasting and traffic prediction, offer significant societal benefits. These tasks can be effectively approached as image forecasting problems using computer vision models. Vector quantization (VQ) is a well-known method for discrete representation that improves the latent space, leading to enhanced generalization and transfer learning capabilities. One of the main challenges in using VQ for spatiotemporal forecasting is how to balance between keeping enough details and removing noises from the original patterns for better generalization. We address this challenge by developing sparse vector quantization, or {\bf SVQ} for short, that leverages sparse regression to make better trade-off between the two objectives. The main innovation of this work is to approximate sparse regression by a two-layer MLP and a randomly fixed or learnable matrix, dramatically improving its computational efficiency. Through experiments conducted on diverse datasets in multiple fields including weather forecasting, traffic flow prediction, and video forecasting, we unequivocally demonstrate that our proposed method consistently enhances the performance of base models and achieves state-of-the-art results across all benchmarks.

Towards Sobolev Pruning. (arXiv:2312.03510v2 [cs.LG] UPDATED)

Authors: Neil Kichler, Sher Afghan, Uwe Naumann

The increasing use of stochastic models for describing complex phenomena warrants surrogate models that capture the reference model characteristics at a fraction of the computational cost, foregoing potentially expensive Monte Carlo simulation. The predominant approach of fitting a large neural network and then pruning it to a reduced size has commonly neglected shortcomings. The produced surrogate models often will not capture the sensitivities and uncertainties inherent in the original model. In particular, (higher-order) derivative information of such surrogates could differ drastically. Given a large enough network, we expect this derivative information to match. However, the pruned model will almost certainly not share this behavior.

In this paper, we propose to find surrogate models by using sensitivity information throughout the learning and pruning process. We build on work using Interval Adjoint Significance Analysis for pruning and combine it with the recent advancements in Sobolev Training to accurately model the original sensitivity information in the pruned neural network based surrogate model. We experimentally underpin the method on an example of pricing a multidimensional Basket option modelled through a stochastic differential equation with Brownian motion. The proposed method is, however, not limited to the domain of quantitative finance, which was chosen as a case study for intuitive interpretations of the sensitivities. It serves as a foundation for building further surrogate modelling techniques considering sensitivity information.

Evaluation of Active Feature Acquisition Methods for Static Feature Settings. (arXiv:2312.03619v2 [stat.ML] UPDATED)

Authors: Henrik von Kleist, Alireza Zamanian, Ilya Shpitser, Narges Ahmidi

Active feature acquisition (AFA) agents, crucial in domains like healthcare where acquiring features is often costly or harmful, determine the optimal set of features for a subsequent classification task. As deploying an AFA agent introduces a shift in missingness distribution, it's vital to assess its expected performance at deployment using retrospective data. In a companion paper, we introduce a semi-offline reinforcement learning (RL) framework for active feature acquisition performance evaluation (AFAPE) where features are assumed to be time-dependent. Here, we study and extend the AFAPE problem to cover static feature settings, where features are time-invariant, and hence provide more flexibility to the AFA agents in deciding the order of the acquisitions. In this static feature setting, we derive and adapt new inverse probability weighting (IPW), direct method (DM), and double reinforcement learning (DRL) estimators within the semi-offline RL framework. These estimators can be applied when the missingness in the retrospective dataset follows a missing-at-random (MAR) pattern. They also can be applied to missing-not-at-random (MNAR) patterns in conjunction with appropriate existing missing data techniques. We illustrate the improved data efficiency offered by the semi-offline RL estimators in synthetic and real-world data experiments under synthetic MAR and MNAR missingness.

MIRACLE: Inverse Reinforcement and Curriculum Learning Model for Human-inspired Mobile Robot Navigation. (arXiv:2312.03651v2 [cs.RO] UPDATED)

Authors: Nihal Gunukula, Kshitij Tiwari, Aniket Bera

In emergency scenarios, mobile robots must navigate like humans, interpreting stimuli to locate potential victims rapidly without interfering with first responders. Existing socially-aware navigation algorithms face computational and adaptability challenges. To overcome these, we propose a solution, MIRACLE -- an inverse reinforcement and curriculum learning model, that employs gamified learning to gather stimuli-driven human navigational data. This data is then used to train a Deep Inverse Maximum Entropy Reinforcement Learning model, reducing reliance on demonstrator abilities. Testing reveals a low loss of 2.7717 within a 400-sized environment, signifying human-like response replication. Current databases lack comprehensive stimuli-driven data, necessitating our approach. By doing so, we enable robots to navigate emergency situations with human-like perception, enhancing their life-saving capabilities.