Authors: Berian James, Stefan Pollok, Ignacio Peis, Jes Frellsen, Rasmus Bj{\o}rk
Abstract: We present a generative model that amortises computation for the field around e.g. gravitational or magnetic sources. Exact numerical calculation has either computational complexity $\mathcal{O}(M\times{}N)$ in the number of sources and field evaluation points, or requires a fixed evaluation grid to exploit fast Fourier transforms. Using an architecture where a hypernetwork produces an implicit representation of the field around a source collection, our model instead performs as $\mathcal{O}(M + N)$, achieves accuracy of $\sim\!4\%-6\%$, and allows evaluation at arbitrary locations for arbitrary numbers of sources, greatly increasing the speed of e.g. physics simulations. We also examine a model relating to the physical properties of the output field and develop two-dimensional examples to demonstrate its application. The code for these models and experiments is available at https://github.com/cmt-dtu-energy/hypermagnetics.
Authors: Naeem Paeedeh, Mahardhika Pratama, Sunu Wibirama, Wolfgang Mayer, Zehong Cao, Ryszard Kowalczyk
Abstract: Few-Shot Class-Incremental Learning presents an extension of the Class Incremental Learning problem where a model is faced with the problem of data scarcity while addressing the catastrophic forgetting problem. This problem remains an open problem because all recent works are built upon the convolutional neural networks performing sub-optimally compared to the transformer approaches. Our paper presents Robust Transformer Approach built upon the Compact Convolution Transformer. The issue of overfitting due to few samples is overcome with the notion of the stochastic classifier, where the classifier's weights are sampled from a distribution with mean and variance vectors, thus increasing the likelihood of correct classifications, and the batch-norm layer to stabilize the training process. The issue of CF is dealt with the idea of delta parameters, small task-specific trainable parameters while keeping the backbone networks frozen. A non-parametric approach is developed to infer the delta parameters for the model's predictions. The prototype rectification approach is applied to avoid biased prototype calculations due to the issue of data scarcity. The advantage of ROBUSTA is demonstrated through a series of experiments in the benchmark problems where it is capable of outperforming prior arts with big margins without any data augmentation protocols.
Authors: Jinhui Ouyang, Yijie Zhu, Xiang Yuan, Di Wu
Abstract: The precise prediction of multi-scale traffic is a ubiquitous challenge in the urbanization process for car owners, road administrators, and governments. In the case of complex road networks, current and past traffic information from both upstream and downstream roads are crucial since various road networks have different semantic information about traffic. Rationalizing the utilization of semantic information can realize short-term, long-term, and unseen road traffic prediction. As the demands of multi-scale traffic analysis increase, on-demand interactions and visualizations are expected to be available for transportation participants. We have designed a multi-scale traffic generation system, namely TrafficGPT, using three AI agents to process multi-scale traffic data, conduct multi-scale traffic analysis, and present multi-scale visualization results. TrafficGPT consists of three essential AI agents: 1) a text-to-demand agent that is employed with Question & Answer AI to interact with users and extract prediction tasks through texts; 2) a traffic prediction agent that leverages multi-scale traffic data to generate temporal features and similarity, and fuse them with limited spatial features and similarity, to achieve accurate prediction of three tasks; and 3) a suggestion and visualization agent that uses the prediction results to generate suggestions and visualizations, providing users with a comprehensive understanding of traffic conditions. Our TrafficGPT system focuses on addressing concerns about traffic prediction from transportation participants, and conducted extensive experiments on five real-world road datasets to demonstrate its superior predictive and interactive performance
Authors: Alice Cicirello
Abstract: This position paper takes a broad look at Physics-Enhanced Machine Learning (PEML) -- also known as Scientific Machine Learning -- with particular focus to those PEML strategies developed to tackle dynamical systems' challenges. The need to go beyond Machine Learning (ML) strategies is driven by: (i) limited volume of informative data, (ii) avoiding accurate-but-wrong predictions; (iii) dealing with uncertainties; (iv) providing Explainable and Interpretable inferences. A general definition of PEML is provided by considering four physics and domain knowledge biases, and three broad groups of PEML approaches are discussed: physics-guided, physics-encoded and physics-informed. The advantages and challenges in developing PEML strategies for guiding high-consequence decision making in engineering applications involving complex dynamical systems, are presented.
Authors: Hui Song, Zheng Miao, Ali Babalhavaeji, Saman Mehrnia, Mahdi Jalili, Xinghuo Yu
Abstract: The increasing installation of Photovoltaics (PV) cells leads to more generation of renewable energy sources (RES), but results in increased uncertainties of energy scheduling. Predicting PV power generation is important for energy management and dispatch optimization in smart grid. However, the PV power generation data is often collected across different types of customers (e.g., residential, agricultural, industrial, and commercial) while the customer information is always de-identified. This often results in a forecasting model trained with all PV power generation data, allowing the predictor to learn various patterns through intra-model self-learning, instead of constructing a separate predictor for each customer type. In this paper, we propose a clustering-based multitasking deep neural network (CM-DNN) framework for PV power generation prediction. K-means is applied to cluster the data into different customer types. For each type, a deep neural network (DNN) is employed and trained until the accuracy cannot be improved. Subsequently, for a specified customer type (i.e., the target task), inter-model knowledge transfer is conducted to enhance its training accuracy. During this process, source task selection is designed to choose the optimal subset of tasks (excluding the target customer), and each selected source task uses a coefficient to determine the amount of DNN model knowledge (weights and biases) transferred to the aimed prediction task. The proposed CM-DNN is tested on a real-world PV power generation dataset and its superiority is demonstrated by comparing the prediction performance on training the dataset with a single model without clustering.
Authors: Xiaoli Tang, Han Yu, Xiaoxiao Li
Abstract: Auction-based Federated Learning (AFL) has attracted extensive research interest due to its ability to motivate data owners (DOs) to join FL through economic means. While many existing AFL methods focus on providing decision support to model users (MUs) and the AFL auctioneer, decision support for data owners remains open. To bridge this gap, we propose a first-of-its-kind agent-oriented joint Pricing, Acceptance and Sub-delegation decision support approach for data owners in AFL (PAS-AFL). By considering a DO's current reputation, pending FL tasks, willingness to train FL models, and its trust relationships with other DOs, it provides a systematic approach for a DO to make joint decisions on AFL bid acceptance, task sub-delegation and pricing based on Lyapunov optimization to maximize its utility. It is the first to enable each DO to take on multiple FL tasks simultaneously to earn higher income for DOs and enhance the throughput of FL tasks in the AFL ecosystem. Extensive experiments based on six benchmarking datasets demonstrate significant advantages of PAS-AFL compared to six alternative strategies, beating the best baseline by 28.77% and 2.64% on average in terms of utility and test accuracy of the resulting FL models, respectively.
Authors: Fengyi Gao, Xingyu Zhang, Sonish Sivarajkumar, Parker Denny, Bayan Aldhahwani, Shyam Visweswaran, Ryan Shi, William Hogan, Allyn Bove, Yanshan Wang
Abstract: In this study, we utilized statistical analysis and machine learning methods to examine whether rehabilitation exercises can improve patients post-stroke functional abilities, as well as forecast the improvement in functional abilities. Our dataset is patients' rehabilitation exercises and demographic information recorded in the unstructured electronic health records (EHRs) data and free-text rehabilitation procedure notes. We collected data for 265 stroke patients from the University of Pittsburgh Medical Center. We employed a pre-existing natural language processing (NLP) algorithm to extract data on rehabilitation exercises and developed a rule-based NLP algorithm to extract Activity Measure for Post-Acute Care (AM-PAC) scores, covering basic mobility (BM) and applied cognitive (AC) domains, from procedure notes. Changes in AM-PAC scores were classified based on the minimal clinically important difference (MCID), and significance was assessed using Friedman and Wilcoxon tests. To identify impactful exercises, we used Chi-square tests, Fisher's exact tests, and logistic regression for odds ratios. Additionally, we developed five machine learning models-logistic regression (LR), Adaboost (ADB), support vector machine (SVM), gradient boosting (GB), and random forest (RF)-to predict outcomes in functional ability. Statistical analyses revealed significant associations between functional improvements and specific exercises. The RF model achieved the best performance in predicting functional outcomes. In this study, we identified three rehabilitation exercises that significantly contributed to patient post-stroke functional ability improvement in the first two months. Additionally, the successful application of a machine learning model to predict patient-specific functional outcomes underscores the potential for precision rehabilitation.
Authors: Ruihao Gong, Yang Yong, Shiqiao Gu, Yushi Huang, Yunchen Zhang, Xianglong Liu, Dacheng Tao
Abstract: Recent advancements in large language models (LLMs) are propelling us toward artificial general intelligence, thanks to their remarkable emergent abilities and reasoning capabilities. However, the substantial computational and memory requirements of LLMs limit their widespread adoption. Quan- tization, a key compression technique, offers a viable solution to mitigate these demands by compressing and accelerating LLMs, albeit with poten- tial risks to model accuracy. Numerous studies have aimed to minimize the accuracy loss associated with quantization. However, the quantization configurations in these studies vary and may not be optimized for hard- ware compatibility. In this paper, we focus on identifying the most effective practices for quantizing LLMs, with the goal of balancing performance with computational efficiency. For a fair analysis, we develop a quantization toolkit LLMC, and design four crucial principles considering the inference efficiency, quantized accuracy, calibration cost, and modularization. By benchmarking on various models and datasets with over 500 experiments, three takeaways corresponding to calibration data, quantization algorithm, and quantization schemes are derived. Finally, a best practice of LLM PTQ pipeline is constructed. All the benchmark results and the toolkit can be found at https://github.com/ModelTC/llmc.
Authors: Jessica N. Howard, Ro Jefferson, Anindita Maiti, Zohar Ringel
Abstract: Separating relevant and irrelevant information is key to any modeling process or scientific inquiry. Theoretical physics offers a powerful tool for achieving this in the form of the renormalization group (RG). Here we demonstrate a practical approach to performing Wilsonian RG in the context of Gaussian Process (GP) Regression. We systematically integrate out the unlearnable modes of the GP kernel, thereby obtaining an RG flow of the Gaussian Process in which the data plays the role of the energy scale. In simple cases, this results in a universal flow of the ridge parameter, which becomes input-dependent in the richer scenario in which non-Gaussianities are included. In addition to being analytically tractable, this approach goes beyond structural analogies between RG and neural networks by providing a natural connection between RG flow and learnable vs. unlearnable modes. Studying such flows may improve our understanding of feature learning in deep neural networks, and identify potential universality classes in these models.
Authors: R. Alex Hofer, Joshua Maynez, Bhuwan Dhingra, Adam Fisch, Amir Globerson, William W. Cohen
Abstract: Prediction-powered inference (PPI) is a method that improves statistical estimates based on limited human-labeled data. Specifically, PPI methods provide tighter confidence intervals by combining small amounts of human-labeled data with larger amounts of data labeled by a reasonably accurate, but potentially biased, automatic system. We propose a framework for PPI based on Bayesian inference that allows researchers to develop new task-appropriate PPI methods easily. Exploiting the ease with which we can design new metrics, we propose improved PPI methods for several importantcases, such as autoraters that give discrete responses (e.g., prompted LLM ``judges'') and autoraters with scores that have a non-linear relationship to human scores.
Authors: Xue Geng, Zhe Wang, Chunyun Chen, Qing Xu, Kaixin Xu, Chao Jin, Manas Gupta, Xulei Yang, Zhenghua Chen, Mohamed M. Sabry Aly, Jie Lin, Min Wu, Xiaoli Li
Abstract: Deep neural networks (DNNs) have been widely used in many artificial intelligence (AI) tasks. However, deploying them brings significant challenges due to the huge cost of memory, energy, and computation. To address these challenges, researchers have developed various model compression techniques such as model quantization and model pruning. Recently, there has been a surge in research of compression methods to achieve model efficiency while retaining the performance. Furthermore, more and more works focus on customizing the DNN hardware accelerators to better leverage the model compression techniques. In addition to efficiency, preserving security and privacy is critical for deploying DNNs. However, the vast and diverse body of related works can be overwhelming. This inspires us to conduct a comprehensive survey on recent research toward the goal of high-performance, cost-efficient, and safe deployment of DNNs. Our survey first covers the mainstream model compression techniques such as model quantization, model pruning, knowledge distillation, and optimizations of non-linear operations. We then introduce recent advances in designing hardware accelerators that can adapt to efficient model compression approaches. Additionally, we discuss how homomorphic encryption can be integrated to secure DNN deployment. Finally, we discuss several issues, such as hardware evaluation, generalization, and integration of various compression approaches. Overall, we aim to provide a big picture of efficient DNNs, from algorithm to hardware accelerators and security perspectives.
Authors: Meng Song, Xuezhi Wang, Tanay Biradar, Yao Qin, Manmohan Chandraker
Abstract: Transformer-based methods have exhibited significant generalization ability when prompted with target-domain demonstrations or example solutions during inference. Although demonstrations, as a way of task specification, can capture rich information that may be hard to specify by language, it remains unclear what information is extracted from the demonstrations to help generalization. Moreover, assuming access to demonstrations of an unseen task is impractical or unreasonable in many real-world scenarios, especially in robotics applications. These questions motivate us to explore what the minimally sufficient prompt could be to elicit the same level of generalization ability as the demonstrations. We study this problem in the contextural RL setting which allows for quantitative measurement of generalization and is commonly adopted by meta-RL and multi-task RL benchmarks. In this setting, the training and test Markov Decision Processes (MDPs) only differ in certain properties, which we refer to as task parameters. We show that conditioning a decision transformer on these task parameters alone can enable zero-shot generalization on par with or better than its demonstration-conditioned counterpart. This suggests that task parameters are essential for the generalization and DT models are trying to recover it from the demonstration prompt. To extract the remaining generalizable information from the supervision, we introduce an additional learnable prompt which is demonstrated to further boost zero-shot generalization across a range of robotic control, manipulation, and navigation benchmark tasks.
Authors: Charles B. Delahunt, Courosh Mehanian, Matthew P. Horning
Abstract: Medical machine learning algorithms are typically evaluated based on accuracy vs. a clinician-defined ground truth, a reasonable choice because trained clinicians are usually better classifiers than ML models. However, this metric does not fully reflect the clinical task: it neglects the fact that humans, even with perfect accuracy, are subject to sometimes significant error from the Poisson statistics of rare events, because clinical protocols often specify that a relatively small sample be examined. For example, to quantitate malaria on a thin blood film a clinician examines only 2000 red blood cells (0.0004 uL), which can yield large variation in actual number of parasites present due to Poisson variability, so that a perfect human's count can differ substantially from the true average load. In contrast, ML systems may be less accurate on an object level, but they also may have the option to examine more blood (e.g. 0.1 uL, or 250x). So while their accuracy as to parasite count in a particular sample is lower, the Poisson variability of their estimate is also lower due to larger sample size. Crucially, when an ML system moves out of the proof-of-concept stage and targets deployment in a clinical setting, its performance must match current standard of care. To this end, it may have the option to offset its lower accuracy by increasing sample size to reduce Poisson error, and thus attain the same net clinical performance as a perfectly accurate human limited by smaller sample size. In this paper, we analyze the mathematics of the trade-off between these two types of error, to enable teams developing ML systems to leverage a relative strength (larger sample sizes) to offset a relative weakness (classification accuracy). We illustrate the methods with two concrete examples: diagnosis and quantitation of malaria on blood films.
Authors: Yuqi Su, Xiaolei Fang
Abstract: Industrial prognostics focuses on utilizing degradation signals to forecast and continually update the residual useful life of complex engineering systems. However, existing prognostic models for systems with multiple failure modes face several challenges in real-world applications, including overlapping degradation signals from multiple components, the presence of unlabeled historical data, and the similarity of signals across different failure modes. To tackle these issues, this research introduces two prognostic models that integrate the mixture (log)-location-scale distribution with deep learning. This integration facilitates the modeling of overlapping degradation signals, eliminates the need for explicit failure mode identification, and utilizes deep learning to capture complex nonlinear relationships between degradation signals and residual useful lifetimes. Numerical studies validate the superior performance of these proposed models compared to existing methods.
Authors: Zachary Coalson, Huazheng Wang, Qingyun Wu, Sanghyun Hong
Abstract: In this paper, we study the robustness of "data-centric" approaches to finding neural network architectures (known as neural architecture search) to data distribution shifts. To audit this robustness, we present a data poisoning attack, when injected to the training data used for architecture search that can prevent the victim algorithm from finding an architecture with optimal accuracy. We first define the attack objective for crafting poisoning samples that can induce the victim to generate sub-optimal architectures. To this end, we weaponize existing search algorithms to generate adversarial architectures that serve as our objectives. We also present techniques that the attacker can use to significantly reduce the computational costs of crafting poisoning samples. In an extensive evaluation of our poisoning attack on a representative architecture search algorithm, we show its surprising robustness. Because our attack employs clean-label poisoning, we also evaluate its robustness against label noise. We find that random label-flipping is more effective in generating sub-optimal architectures than our clean-label attack. Our results suggests that care must be taken for the data this emerging approach uses, and future work is needed to develop robust algorithms.
Authors: Shushman Choudhury, Abdul Rahman Kreidieh, Iveel Tsogsuren, Neha Arora, Carolina Osorio, Alexandre Bayen
Abstract: We propose and study a data-driven framework for identifying traffic congestion functions (numerical relationships between observations of macroscopic traffic variables) at global scale and segment-level granularity. In contrast to methods that estimate a separate set of parameters for each roadway, ours learns a single black-box function over all roadways in a metropolitan area. First, we pool traffic data from all segments into one dataset, combining static attributes with dynamic time-dependent features. Second, we train a feed-forward neural network on this dataset, which we can then use on any segment in the area. We evaluate how well our framework identifies congestion functions on observed segments and how it generalizes to unobserved segments and predicts segment attributes on a large dataset covering multiple cities worldwide. For identification error on observed segments, our single data-driven congestion function compares favorably to segment-specific model-based functions on highway roads, but has room to improve on arterial roads. For generalization, our approach shows strong performance across cities and road types: both on unobserved segments in the same city and on zero-shot transfer learning between cities. Finally, for predicting segment attributes, we find that our approach can approximate critical densities for individual segments using their static properties.
Authors: Bhawesh Kumar, Jonathan Amar, Eric Yang, Nan Li, Yugang Jia
Abstract: Large Language Models (LLMs) have demonstrated their efficacy across a broad spectrum of tasks in healthcare applications. However, often LLMs need to be fine-tuned on task-specific expert annotated data to achieve optimal performance, which can be expensive and time consuming. In this study, we fine-tune PaLM-2 with parameter efficient fine-tuning (PEFT) using noisy labels obtained from gemini-pro 1.0 for the detection of Schedule-of-Event (SoE) tables, which specify care plan in clinical trial protocols. We introduce a filtering mechanism to select high-confidence labels for this table classification task, thereby reducing the noise in the auto-generated labels. We show that fine-tuned PaLM-2 with those labels achieves performance that exceeds the gemini-pro 1.0 and other LLMs. Furthermore, its performance is close to a PaLM-2 fine-tuned on labels obtained from non-expert annotators. Our results show that leveraging LLM-generated labels through powerful models like gemini-pro can potentially serve as a viable strategy for improving LLM performance through fine-tuning in specialized tasks, particularly in domains where expert annotations are scarce, expensive, or time-consuming to obtain.
Authors: Tianji Cai, Garrett W. Merz, Fran\c{c}ois Charton, Niklas Nolte, Matthias Wilhelm, Kyle Cranmer, Lance J. Dixon
Abstract: We pursue the use of deep learning methods to improve state-of-the-art computations in theoretical high-energy physics. Planar N = 4 Super Yang-Mills theory is a close cousin to the theory that describes Higgs boson production at the Large Hadron Collider; its scattering amplitudes are large mathematical expressions containing integer coefficients. In this paper, we apply Transformers to predict these coefficients. The problem can be formulated in a language-like representation amenable to standard cross-entropy training objectives. We design two related experiments and show that the model achieves high accuracy (> 98%) on both tasks. Our work shows that Transformers can be applied successfully to problems in theoretical physics that require exact solutions.
Authors: Revanth Mattey, Susanta Ghosh
Abstract: The $L^2$ gradient flow of the Ginzburg-Landau free energy functional leads to the Allen Cahn equation that is widely used for modeling phase separation. Machine learning methods for solving the Allen-Cahn equation in its strong form suffer from inaccuracies in collocation techniques, errors in computing higher-order spatial derivatives through automatic differentiation, and the large system size required by the space-time approach. To overcome these limitations, we propose a separable neural network-based approximation of the phase field in a minimizing movement scheme to solve the aforementioned gradient flow problem. At each time step, the separable neural network is used to approximate the phase field in space through a low-rank tensor decomposition thereby accelerating the derivative calculations. The minimizing movement scheme naturally allows for the use of Gauss quadrature technique to compute the functional. A `$tanh$' transformation is applied on the neural network-predicted phase field to strictly bounds the solutions within the values of the two phases. For this transformation, a theoretical guarantee for energy stability of the minimizing movement scheme is established. Our results suggest that bounding the solution through this transformation is the key to effectively model sharp interfaces through separable neural network. The proposed method outperforms the state-of-the-art machine learning methods for phase separation problems and is an order of magnitude faster than the finite element method.
Authors: Rom N. Parnichkun, Stefano Massaroli, Alessandro Moro, Jimmy T. H. Smith, Ramin Hasani, Mathias Lechner, Qi An, Christopher R\'e, Hajime Asama, Stefano Ermon, Taiji Suzuki, Atsushi Yamashita, Michael Poli
Abstract: We approach designing a state-space model for deep learning applications through its dual representation, the transfer function, and uncover a highly efficient sequence parallel inference algorithm that is state-free: unlike other proposed algorithms, state-free inference does not incur any significant memory or computational cost with an increase in state size. We achieve this using properties of the proposed frequency domain transfer function parametrization, which enables direct computation of its corresponding convolutional kernel's spectrum via a single Fast Fourier Transform. Our experimental results across multiple sequence lengths and state sizes illustrates, on average, a 35% training speed improvement over S4 layers -- parametrized in time-domain -- on the Long Range Arena benchmark, while delivering state-of-the-art downstream performances over other attention-free approaches. Moreover, we report improved perplexity in language modeling over a long convolutional Hyena baseline, by simply introducing our transfer function parametrization. Our code is available at https://github.com/ruke1ire/RTF.
Authors: Christopher Amato
Abstract: Multi-agent reinforcement learning (MARL) has exploded in popularity in recent years. Many approaches have been developed but they can be divided into three main types: centralized training and execution (CTE), centralized training for decentralized execution (CTDE), and Decentralized training and execution (DTE). Decentralized training and execution methods make the fewest assumptions and are often simple to implement. In fact, as I'll discuss, any single-agent RL method can be used for DTE by just letting each agent learn separately. Of course, there are pros and cons to such approaches as we discuss below. It is worth noting that DTE is required if no offline coordination is available. That is, if all agents must learn during online interactions without prior coordination, learning and execution must both be decentralized. DTE methods can be applied in cooperative, competitive, or mixed cases but this text will focus on the cooperative MARL case. In this text, I will first give a brief description of the cooperative MARL problem in the form of the Dec-POMDP. Then, I will discuss value-based DTE methods starting with independent Q-learning and its extensions and then discuss the extension to the deep case with DQN, the additional complications this causes, and methods that have been developed to (attempt to) address these issues. Next, I will discuss policy gradient DTE methods starting with independent REINFORCE (i.e., vanilla policy gradient), and then extending to the actor-critic case and deep variants (such as independent PPO). Finally, I will discuss some general topics related to DTE and future directions.
Authors: Prabin B Lamichhane, William Eberle
Abstract: Real-world graphs are complex to process for performing effective analysis, such as anomaly detection. However, recently, there have been several research efforts addressing the issues surrounding graph-based anomaly detection. In this paper, we discuss a comprehensive overview of anomaly detection techniques on graph data. We also discuss the various application domains which use those anomaly detection techniques. We present a new taxonomy that categorizes the different state-of-the-art anomaly detection methods based on assumptions and techniques. Within each category, we discuss the fundamental research ideas that have been done to improve anomaly detection. We further discuss the advantages and disadvantages of current anomaly detection techniques. Finally, we present potential future research directions in anomaly detection on graph-structured data.
Authors: Xiaoyu Wen, Chenjia Bai, Kang Xu, Xudong Yu, Yang Zhang, Xuelong Li, Zhen Wang
Abstract: Cross-domain offline reinforcement learning leverages source domain data with diverse transition dynamics to alleviate the data requirement for the target domain. However, simply merging the data of two domains leads to performance degradation due to the dynamics mismatch. Existing methods address this problem by measuring the dynamics gap via domain classifiers while relying on the assumptions of the transferability of paired domains. In this paper, we propose a novel representation-based approach to measure the domain gap, where the representation is learned through a contrastive objective by sampling transitions from different domains. We show that such an objective recovers the mutual-information gap of transition functions in two domains without suffering from the unbounded issue of the dynamics gap in handling significantly different domains. Based on the representations, we introduce a data filtering algorithm that selectively shares transitions from the source domain according to the contrastive score functions. Empirical results on various tasks demonstrate that our method achieves superior performance, using only 10% of the target data to achieve 89.2% of the performance on 100% target dataset with state-of-the-art methods.
Authors: Haojie Duanmu, Zhihang Yuan, Xiuhong Li, Jiangfei Duan, Xingcheng Zhang, Dahua Lin
Abstract: Large language models (LLMs) can now handle longer sequences of tokens, enabling complex tasks like book understanding and generating lengthy novels. However, the key-value (KV) cache required for LLMs consumes substantial memory as context length increasing, becoming the bottleneck for deployment. In this paper, we present a strategy called SKVQ, which stands for sliding-window KV cache quantization, to address the issue of extremely low bitwidth KV cache quantization. To achieve this, SKVQ rearranges the channels of the KV cache in order to improve the similarity of channels in quantization groups, and applies clipped dynamic quantization at the group level. Additionally, SKVQ ensures that the most recent window tokens in the KV cache are preserved with high precision. This helps maintain the accuracy of a small but important portion of the KV cache.SKVQ achieves high compression ratios while maintaining accuracy. Our evaluation on LLMs demonstrates that SKVQ surpasses previous quantization approaches, allowing for quantization of the KV cache to 2-bit keys and 1.5-bit values with minimal loss of accuracy. With SKVQ, it is possible to process context lengths of up to 1M on an 80GB memory GPU for a 7b model and up to 7 times faster decoding.
Authors: Yuhan Liu, Ke Tu
Abstract: In the realm of time series analysis, accurately measuring similarity is crucial for applications such as forecasting, anomaly detection, and clustering. However, existing metrics often fail to capture the complex, multidimensional nature of time series data, limiting their effectiveness and application. This paper introduces the Structured Similarity Index Measure for Time Series (TS3IM), a novel approach inspired by the success of the Structural Similarity Index Measure (SSIM) in image analysis, tailored to address these limitations by assessing structural similarity in time series. TS3IM evaluates multiple dimensions of similarity-trend, variability, and structural integrity-offering a more nuanced and comprehensive measure. This metric represents a significant leap forward, providing a robust tool for analyzing temporal data and offering more accurate and comprehensive sequence analysis and decision support in fields such as monitoring power consumption, analyzing traffic flow, and adversarial recognition. Our extensive experimental results also show that compared with traditional methods that rely heavily on computational correlation, TS3IM is 1.87 times more similar to Dynamic Time Warping (DTW) in evaluation results and improves by more than 50% in adversarial recognition.
Authors: Junzhuo Chen, Zhixin Lu
Abstract: In the realm of machine learning, the KNN classification algorithm is widely recognized for its simplicity and efficiency. However, its sensitivity to the K value poses challenges, especially with small sample sizes or outliers, impacting classification performance. This article introduces a novel KNN-based classifier called LMPHNN (Novel Pseudo Nearest Neighbor Classification Method Using Local Harmonic Mean Distance). LMPHNN leverages harmonic mean distance (HMD) to improve classification performance based on LMPNN rules and HMD. The classifier begins by identifying k nearest neighbors for each class and generates distinct local vectors as prototypes. Pseudo nearest neighbors (PNNs) are then created based on the local mean for each class, determined by comparing the HMD of the sample with the initial k group. Classification is determined by calculating the Euclidean distance between the query sample and PNNs, based on the local mean of these categories. Extensive experiments on various real UCI datasets and combined datasets compare LMPHNN with seven KNN-based classifiers, using precision, recall, accuracy, and F1 as evaluation metrics. LMPHNN achieves an average precision of 97%, surpassing other methods by 14%. The average recall improves by 12%, with an average accuracy enhancement of 5%. Additionally, LMPHNN demonstrates a 13% higher average F1 value compared to other methods. In summary, LMPHNN outperforms other classifiers, showcasing lower sensitivity with small sample sizes.
Authors: Yuxiang Zhang, Xin Liu, Meng Wu, Wei Yan, Mingyu Yan, Xiaochun Ye, Dongrui Fan
Abstract: Graph Neural Networks (GNNs) have emerged as potent models for graph learning. Distributing the training process across multiple computing nodes is the most promising solution to address the challenges of ever-growing real-world graphs. However, current adversarial attack methods on GNNs neglect the characteristics and applications of the distributed scenario, leading to suboptimal performance and inefficiency in attacking distributed GNN training. In this study, we introduce Disttack, the first framework of adversarial attacks for distributed GNN training that leverages the characteristics of frequent gradient updates in a distributed system. Specifically, Disttack corrupts distributed GNN training by injecting adversarial attacks into one single computing node. The attacked subgraphs are precisely perturbed to induce an abnormal gradient ascent in backpropagation, disrupting gradient synchronization between computing nodes and thus leading to a significant performance decline of the trained GNN. We evaluate Disttack on four large real-world graphs by attacking five widely adopted GNNs. Compared with the state-of-the-art attack method, experimental results demonstrate that Disttack amplifies the model accuracy degradation by 2.75$\times$ and achieves speedup by 17.33$\times$ on average while maintaining unnoticeability.
Authors: Ruixiang Sun, Hongyu Zang, Xin Li, Riashat Islam
Abstract: Visual Model-Based Reinforcement Learning (MBRL) promises to encapsulate agent's knowledge about the underlying dynamics of the environment, enabling learning a world model as a useful planner. However, top MBRL agents such as Dreamer often struggle with visual pixel-based inputs in the presence of exogenous or irrelevant noise in the observation space, due to failure to capture task-specific features while filtering out irrelevant spatio-temporal details. To tackle this problem, we apply a spatio-temporal masking strategy, a bisimulation principle, combined with latent reconstruction, to capture endogenous task-specific aspects of the environment for world models, effectively eliminating non-essential information. Joint training of representations, dynamics, and policy often leads to instabilities. To further address this issue, we develop a Hybrid Recurrent State-Space Model (HRSSM) structure, enhancing state representation robustness for effective policy learning. Our empirical evaluation demonstrates significant performance improvements over existing methods in a range of visually complex control tasks such as Maniskill \cite{gu2023maniskill2} with exogenous distractors from the Matterport environment. Our code is avaliable at https://github.com/bit1029public/HRSSM.
Authors: Fatemeh Nazary, Yashar Deldjoo, Tommaso Di Noia, Eugenio di Sciascio
Abstract: The integration of Large Language Models (LLMs) into healthcare diagnostics offers a promising avenue for clinical decision-making. This study outlines the development of a novel method for zero-shot/few-shot in-context learning (ICL) by integrating medical domain knowledge using a multi-layered structured prompt. We also explore the efficacy of two communication styles between the user and LLMs: the Numerical Conversational (NC) style, which processes data incrementally, and the Natural Language Single-Turn (NL-ST) style, which employs long narrative prompts. Our study systematically evaluates the diagnostic accuracy and risk factors, including gender bias and false negative rates, using a dataset of 920 patient records in various few-shot scenarios. Results indicate that traditional clinical machine learning (ML) models generally outperform LLMs in zero-shot and few-shot settings. However, the performance gap narrows significantly when employing few-shot examples alongside effective explainable AI (XAI) methods as sources of domain knowledge. Moreover, with sufficient time and an increased number of examples, the conversational style (NC) nearly matches the performance of ML models. Most notably, LLMs demonstrate comparable or superior cost-sensitive accuracy relative to ML models. This research confirms that, with appropriate domain knowledge and tailored communication strategies, LLMs can significantly enhance diagnostic processes. The findings highlight the importance of optimizing the number of training examples and communication styles to improve accuracy and reduce biases in LLM applications.
Authors: V. Kisielius, E. Illarionov
Abstract: Solar filaments are well-known tracers of polarity inversion lines that separate two opposite magnetic polarities on the solar photosphere. Because observations of filaments began long before the systematic observations of solar magnetic fields, historical filament catalogs can facilitate the reconstruction of magnetic polarity maps at times when direct magnetic observations were not yet available. In practice, this reconstruction is often ambiguous and typically performed manually. We propose an automatic approach based on a machine-learning model that generates a variety of magnetic polarity maps consistent with filament observations. To evaluate the model and discuss the results we use the catalog of solar filaments and polarity maps compiled by McIntosh. We realize that the process of manual compilation of polarity maps includes not only information on filaments, but also a large amount of prior information, which is difficult to formalize. In order to compensate for the lack of prior knowledge for the machine-learning model, we provide it with polarity information at several reference points. We demonstrate that this process, which can be considered as the user-guided reconstruction or super-resolution, leads to polarity maps that are reasonably close to hand-drawn ones, and additionally allows for uncertainty estimation.
Authors: Javier Maroto, Pascal Frossard
Abstract: Deep learning has been able to outperform humans in terms of classification accuracy in many tasks. However, to achieve robustness to adversarial perturbations, the best methodologies require to perform adversarial training on a much larger training set that has been typically augmented using generative models (e.g., diffusion models). Our main objective in this work, is to reduce these data requirements while achieving the same or better accuracy-robustness trade-offs. We focus on data pruning, where some training samples are removed based on the distance to the model classification boundary (i.e., margin). We find that the existing approaches that prune samples with low margin fails to increase robustness when we add a lot of synthetic data, and explain this situation with a perceptron learning task. Moreover, we find that pruning high margin samples for better accuracy increases the harmful impact of mislabeled perturbed data in adversarial training, hurting both robustness and accuracy. We thus propose PUMA, a new data pruning strategy that computes the margin using DeepFool, and prunes the training samples of highest margin without hurting performance by jointly adjusting the training attack norm on the samples of lowest margin. We show that PUMA can be used on top of the current state-of-the-art methodology in robustness, and it is able to significantly improve the model performance unlike the existing data pruning strategies. Not only PUMA achieves similar robustness with less data, but it also significantly increases the model accuracy, improving the performance trade-off.
Authors: David Lindsay, Sian Lindsay
Abstract: The Universal Similarity Metric (USM) has been demonstrated to give practically useful measures of "similarity" between sequence data. Here we have used the USM as an alternative distance metric in a K-Nearest Neighbours (K-NN) learner to allow effective pattern recognition of variable length sequence data. We compare this USM approach with the commonly used string-to-word vector approach. Our experiments have used two data sets of divergent domains: (1) spam email filtering and (2) protein subcellular localization. Our results with this data reveal that the USM-based K-NN learner (1) gives predictions with higher classification accuracy than those output by techniques that use the string-to-word vector approach, and (2) can be used to generate reliable probability forecasts.
Authors: Zhiyuan Ning, Chunlin Tian, Meng Xiao, Wei Fan, Pengyang Wang, Li Li, Pengfei Wang, Yuanchun Zhou
Abstract: Federated Learning faces significant challenges in statistical and system heterogeneity, along with high energy consumption, necessitating efficient client selection strategies. Traditional approaches, including heuristic and learning-based methods, fall short of addressing these complexities holistically. In response, we propose FedGCS, a novel generative client selection framework that innovatively recasts the client selection process as a generative task. Drawing inspiration from the methodologies used in large language models, FedGCS efficiently encodes abundant decision-making knowledge within a continuous representation space, enabling efficient gradient-based optimization to search for optimal client selection that will be finally output via generation. The framework comprises four steps: (1) automatic collection of diverse "selection-score" pair data using classical client selection methods; (2) training an encoder-evaluator-decoder framework on this data to construct a continuous representation space; (3) employing gradient-based optimization in this space for optimal client selection; (4) generating the final optimal client selection via using beam search for the well-trained decoder. FedGCS outperforms traditional methods by being more comprehensive, generalizable, and efficient, simultaneously optimizing for model performance, latency, and energy consumption. The effectiveness of FedGCS is proven through extensive experimental analyses.
Authors: Maciej \.Zelaszczyk, Jacek Ma\'ndziuk
Abstract: This paper proposes a general interpretable predictive system with shared information. The system is able to perform predictions in a multi-task setting where distinct tasks are not bound to have the same input/output structure. Embeddings of input and output variables in a common space are obtained, where the input embeddings are produced through attending to a set of shared embeddings, reused across tasks. All the embeddings are treated as model parameters and learned. Specific restrictions on the space of shared embedings and the sparsity of the attention mechanism are considered. Experiments show that the introduction of shared embeddings does not deteriorate the results obtained from a vanilla variable embeddings method. We run a number of further ablations. Inducing sparsity in the attention mechanism leads to both an increase in accuracy and a significant decrease in the number of training steps required. Shared embeddings provide a measure of interpretability in terms of both a qualitative assessment and the ability to map specific shared embeddings to pre-defined concepts that are not tailored to the considered model. There seems to be a trade-off between accuracy and interpretability. The basic shared embeddings method favors interpretability, whereas the sparse attention method promotes accuracy. The results lead to the conclusion that variable embedding methods may be extended with shared information to provide increased interpretability and accuracy.
Authors: John Kirchenbauer, Garrett Honke, Gowthami Somepalli, Jonas Geiping, Daphne Ippolito, Katherine Lee, Tom Goldstein, David Andre
Abstract: We develop a methodology for analyzing language model task performance at the individual example level based on training data density estimation. Experiments with paraphrasing as a controlled intervention on finetuning data demonstrate that increasing the support in the training distribution for specific test queries results in a measurable increase in density, which is also a significant predictor of the performance increase caused by the intervention. Experiments with pretraining data demonstrate that we can explain a significant fraction of the variance in model perplexity via density measurements. We conclude that our framework can provide statistical evidence of the dependence of a target model's predictions on subsets of its training data, and can more generally be used to characterize the support (or lack thereof) in the training data for a given test task.
Authors: Fan Wang, Adams Wai-Kin Kong
Abstract: Model attribution is a popular tool to explain the rationales behind model predictions. However, recent work suggests that the attributions are vulnerable to minute perturbations, which can be added to input samples to fool the attributions while maintaining the prediction outputs. Although empirical studies have shown positive performance via adversarial training, an effective certified defense method is eminently needed to understand the robustness of attributions. In this work, we propose to use uniform smoothing technique that augments the vanilla attributions by noises uniformly sampled from a certain space. It is proved that, for all perturbations within the attack region, the cosine similarity between uniformly smoothed attribution of perturbed sample and the unperturbed sample is guaranteed to be lower bounded. We also derive alternative formulations of the certification that is equivalent to the original one and provides the maximum size of perturbation or the minimum smoothing radius such that the attribution can not be perturbed. We evaluate the proposed method on three datasets and show that the proposed method can effectively protect the attributions from attacks, regardless of the architecture of networks, training schemes and the size of the datasets.
Authors: Davide Maran, Alberto Maria Metelli, Matteo Papini, Marcello Restelli
Abstract: We consider the problem of learning an $\varepsilon$-optimal policy in a general class of continuous-space Markov decision processes (MDPs) having smooth Bellman operators. Given access to a generative model, we achieve rate-optimal sample complexity by performing a simple, \emph{perturbed} version of least-squares value iteration with orthogonal trigonometric polynomials as features. Key to our solution is a novel projection technique based on ideas from harmonic analysis. Our~$\widetilde{\mathcal{O}}(\epsilon^{-2-d/(\nu+1)})$ sample complexity, where $d$ is the dimension of the state-action space and $\nu$ the order of smoothness, recovers the state-of-the-art result of discretization approaches for the special case of Lipschitz MDPs $(\nu=0)$. At the same time, for $\nu\to\infty$, it recovers and greatly generalizes the $\mathcal{O}(\epsilon^{-2})$ rate of low-rank MDPs, which are more amenable to regression approaches. In this sense, our result bridges the gap between two popular but conflicting perspectives on continuous-space MDPs.
Authors: Jie Xu, Karthikeyan Saravanan, Rogier van Dalen, Haaris Mehmood, David Tuckey, Mete Ozay
Abstract: Federated learning (FL) allows clients in an Internet of Things (IoT) system to collaboratively train a global model without sharing their local data with a server. However, clients' contributions to the server can still leak sensitive information. Differential privacy (DP) addresses such leakage by providing formal privacy guarantees, with mechanisms that add randomness to the clients' contributions. The randomness makes it infeasible to train large transformer-based models, common in modern IoT systems. In this work, we empirically evaluate the practicality of fine-tuning large scale on-device transformer-based models with differential privacy in a federated learning system. We conduct comprehensive experiments on various system properties for tasks spanning a multitude of domains: speech recognition, computer vision (CV) and natural language understanding (NLU). Our results show that full fine-tuning under differentially private federated learning (DP-FL) generally leads to huge performance degradation which can be alleviated by reducing the dimensionality of contributions through parameter-efficient fine-tuning (PEFT). Our benchmarks of existing DP-PEFT methods show that DP-Low-Rank Adaptation (DP-LoRA) consistently outperforms other methods. An even more promising approach, DyLoRA, which makes the low rank variable, when naively combined with FL would straightforwardly break differential privacy. We therefore propose an adaptation method that can be combined with differential privacy and call it DP-DyLoRA. Finally, we are able to reduce the accuracy degradation and word error rate (WER) increase due to DP to less than 2% and 7% respectively with 1 million clients and a stringent privacy budget of {\epsilon}=2.
Authors: Jianyu Zhang, Niklas Nolte, Ranajoy Sadhukhan, Beidi Chen, L\'eon Bottou
Abstract: Memory Mosaics are networks of associative memories working in concert to achieve a prediction task of interest. Like transformers, memory mosaics possess compositional capabilities and in-context learning capabilities. Unlike transformers, memory mosaics achieve these capabilities in comparatively transparent ways. We demonstrate these capabilities on toy examples and we also show that memory mosaics perform as well or better than transformers on medium-scale language modeling tasks.
Authors: Filipe Marinho Rocha, In\^es Dutra, V\'itor Santos Costa
Abstract: The Abstraction and Reasoning Corpus (ARC) is a general artificial intelligence benchmark that is currently unsolvable by any Machine Learning method, including Large Language Models (LLMs). It demands strong generalization and reasoning capabilities which are known to be weaknesses of Neural Network based systems. In this work, we propose a Program Synthesis system that uses Inductive Logic Programming (ILP), a branch of Symbolic AI, to solve ARC. We have manually defined a simple Domain Specific Language (DSL) that corresponds to a small set of object-centric abstractions relevant to ARC. This is the Background Knowledge used by ILP to create Logic Programs that provide reasoning capabilities to our system. The full system is capable of generalize to unseen tasks, since ILP can create Logic Program(s) from few examples, in the case of ARC: pairs of Input-Output grids examples for each task. These Logic Programs are able to generate Objects present in the Output grid and the combination of these can form a complete program that transforms an Input grid into an Output grid. We randomly chose some tasks from ARC that dont require more than the small number of the Object primitives we implemented and show that given only these, our system can solve tasks that require each, such different reasoning.
Authors: Nevan Wichers, Victor Tao, Riccardo Volpato, Fazl Barez
Abstract: In certain situations, neural networks will represent environment states in their hidden activations. Our goal is to visualize what environment states the networks are representing. We experiment with a recurrent neural network (RNN) architecture with a decoder network at the end. After training, we apply the decoder to the intermediate representations of the network to visualize what they represent. We define a quantitative interpretability metric and use it to demonstrate that hidden states can be highly interpretable on a simple task. We also develop autoencoder and adversarial techniques and show that benefit interpretability.
Authors: Jaejun Lee, Minsung Hwang, Joyce Jiyoung Whang
Abstract: While a number of knowledge graph representation learning (KGRL) methods have been proposed over the past decade, very few theoretical analyses have been conducted on them. In this paper, we present the first PAC-Bayesian generalization bounds for KGRL methods. To analyze a broad class of KGRL models, we propose a generic framework named ReED (Relation-aware Encoder-Decoder), which consists of a relation-aware message passing encoder and a triplet classification decoder. Our ReED framework can express at least 15 different existing KGRL models, including not only graph neural network-based models such as R-GCN and CompGCN but also shallow-architecture models such as RotatE and ANALOGY. Our generalization bounds for the ReED framework provide theoretical grounds for the commonly used tricks in KGRL, e.g., parameter-sharing and weight normalization schemes, and guide desirable design choices for practical KGRL methods. We empirically show that the critical factors in our generalization bounds can explain actual generalization errors on three real-world knowledge graphs.
Authors: Tianxiang Zhan, Yuanpeng He, Zhen Li, Yong Deng
Abstract: In real-world scenarios, time series forecasting often demands timeliness, making research on model backbones a perennially hot topic. To meet these performance demands, we propose a novel backbone from the perspective of information fusion. Introducing the Basic Probability Assignment (BPA) Module and the Time Evidence Fusion Network (TEFN), based on evidence theory, allows us to achieve superior performance. On the other hand, the perspective of multi-source information fusion effectively improves the accuracy of forecasting. Due to the fact that BPA is generated by fuzzy theory, TEFN also has considerable interpretability. In real data experiments, the TEFN partially achieved state-of-the-art, with low errors comparable to PatchTST, and operating efficiency surpass performance models such as Dlinear. Meanwhile, TEFN has high robustness and small error fluctuations in the random hyperparameter selection. TEFN is not a model that achieves the ultimate in single aspect, but a model that balances performance, accuracy, stability, and interpretability.
Authors: Thorben Markmann, Michiel Straat, Barbara Hammer
Abstract: Several related works have introduced Koopman-based Machine Learning architectures as a surrogate model for dynamical systems. These architectures aim to learn non-linear measurements (also known as observables) of the system's state that evolve by a linear operator and are, therefore, amenable to model-based linear control techniques. So far, mainly simple systems have been targeted, and Koopman architectures as reduced-order models for more complex dynamics have not been fully explored. Hence, we use a Koopman-inspired architecture called the Linear Recurrent Autoencoder Network (LRAN) for learning reduced-order dynamics in convection flows of a Rayleigh B\'enard Convection (RBC) system at different amounts of turbulence. The data is obtained from direct numerical simulations of the RBC system. A traditional fluid dynamics method, the Kernel Dynamic Mode Decomposition (KDMD), is used to compare the LRAN. For both methods, we performed hyperparameter sweeps to identify optimal settings. We used a Normalized Sum of Square Error measure for the quantitative evaluation of the models, and we also studied the model predictions qualitatively. We obtained more accurate predictions with the LRAN than with KDMD in the most turbulent setting. We conjecture that this is due to the LRAN's flexibility in learning complicated observables from data, thereby serving as a viable surrogate model for the main structure of fluid dynamics in turbulent convection settings. In contrast, KDMD was more effective in lower turbulence settings due to the repetitiveness of the convection flow. The feasibility of Koopman-based surrogate models for turbulent fluid flows opens possibilities for efficient model-based control techniques useful in a variety of industrial settings.
Authors: Jo\~ao Vitor Pamplona, Jan Pablo Burgard
Abstract: To ensure unbiased and ethical automated predictions, fairness must be a core principle in machine learning applications. Fairness in machine learning aims to mitigate biases present in the training data and model imperfections that could lead to discriminatory outcomes. This is achieved by preventing the model from making decisions based on sensitive characteristics like ethnicity or sexual orientation. A fundamental assumption in machine learning is the independence of observations. However, this assumption often does not hold true for data describing social phenomena, where data points are often clustered based. Hence, if the machine learning models do not account for the cluster correlations, the results may be biased. Especially high is the bias in cases where the cluster assignment is correlated to the variable of interest. We present a fair mixed effects support vector machine algorithm that can handle both problems simultaneously. With a reproducible simulation study we demonstrate the impact of clustered data on the quality of fair machine learning predictions.
Authors: Ibai Ramirez, Joel Pino, David Pardo, Mikel Sanz, Luis del Rio, Alvaro Ortiz, Kateryna Morozovska, Jose I. Aizpurua
Abstract: Transformers are vital assets for the reliable and efficient operation of power and energy systems. They support the integration of renewables to the grid through improved grid stability and operation efficiency. Monitoring the health of transformers is essential to ensure grid reliability and efficiency. Thermal insulation ageing is a key transformer failure mode, which is generally tracked by monitoring the hotspot temperature (HST). However, HST measurement is complex and expensive and often estimated from indirect measurements. Existing computationally-efficient HST models focus on space-agnostic thermal models, providing worst-case HST estimates. This article introduces an efficient spatio-temporal model for transformer winding temperature and ageing estimation, which leverages physics-based partial differential equations (PDEs) with data-driven Neural Networks (NN) in a Physics Informed Neural Networks (PINNs) configuration to improve prediction accuracy and acquire spatio-temporal resolution. The computational efficiency of the PINN model is improved through the implementation of the Residual-Based Attention scheme that accelerates the PINN model convergence. PINN based oil temperature predictions are used to estimate spatio-temporal transformer winding temperature values, which are validated through PDE resolution models and fiber optic sensor measurements, respectively. Furthermore, the spatio-temporal transformer ageing model is inferred, aiding transformer health management decision-making and providing insights into localized thermal ageing phenomena in the transformer insulation. Results are validated with a distribution transformer operated on a floating photovoltaic power plant.
Authors: Julian Zimmert, Teodor V. Marinov
Abstract: We study the problem of incentive-compatible online learning with bandit feedback. In this class of problems, the experts are self-interested agents who might misrepresent their preferences with the goal of being selected most often. The goal is to devise algorithms which are simultaneously incentive-compatible, that is the experts are incentivised to report their true preferences, and have no regret with respect to the preferences of the best fixed expert in hindsight. \citet{freeman2020no} propose an algorithm in the full information setting with optimal $O(\sqrt{T \log(K)})$ regret and $O(T^{2/3}(K\log(K))^{1/3})$ regret in the bandit setting. In this work we propose the first incentive-compatible algorithms that enjoy $O(\sqrt{KT})$ regret bounds. We further demonstrate how simple loss-biasing allows the algorithm proposed in Freeman et al. 2020 to enjoy $\tilde O(\sqrt{KT})$ regret. As a byproduct of our approach we obtain the first bandit algorithm with nearly optimal regret bounds in the adversarial setting which works entirely on the observed loss sequence without the need for importance-weighted estimators. Finally, we provide an incentive-compatible algorithm that enjoys asymptotically optimal best-of-both-worlds regret guarantees, i.e., logarithmic regret in the stochastic regime as well as worst-case $O(\sqrt{KT})$ regret.
Authors: Tareen Dawood, Bram Ruijsink, Reza Razavi, Andrew P. King, Esther Puyol-Ant\'on
Abstract: Improving calibration performance in deep learning (DL) classification models is important when planning the use of DL in a decision-support setting. In such a scenario, a confident wrong prediction could lead to a lack of trust and/or harm in a high-risk application. We evaluate the impact on accuracy and calibration of two types of approach that aim to improve DL classification model calibration: deterministic uncertainty methods (DUM) and uncertainty-aware training. Specifically, we test the performance of three DUMs and two uncertainty-aware training approaches as well as their combinations. To evaluate their utility, we use two realistic clinical applications from the field of cardiac imaging: artefact detection from phase contrast cardiac magnetic resonance (CMR) and disease diagnosis from the public ACDC CMR dataset. Our results indicate that both DUMs and uncertainty-aware training can improve both accuracy and calibration in both of our applications, with DUMs generally offering the best improvements. We also investigate the combination of the two approaches, resulting in a novel deterministic uncertainty-aware training approach. This provides further improvements for some combinations of DUMs and uncertainty-aware training approaches.
Authors: Yili Wang
Abstract: In recent years, heterogeneous graph neural networks (HGNNs) have achieved excellent performance in handling heterogeneous information networks (HINs). Curriculum learning is a machine learning strategy where training examples are presented to a model in a structured order, starting with easy examples and gradually increasing difficulty, aiming to improve learning efficiency and generalization. To better exploit the rich information in HINs, previous methods have started to explore the use of curriculum learning strategy to train HGNNs. Specifically, these works utilize the absolute value of the loss at each training epoch to evaluate the learning difficulty of each training sample. However, the relative loss, rather than the absolute value of loss, reveals the learning difficulty. Therefore, we propose a novel loss-decrease-aware training schedule (LDTS). LDTS uses the trend of loss decrease between each training epoch to better evaluating the difficulty of training samples, thereby enhancing the curriculum learning of HGNNs for downstream tasks. Additionally, we propose a sampling strategy to alleviate training imbalance issues. Our method further demonstrate the efficacy of curriculum learning in enhancing HGNNs capabilities. We call our method Loss-decrease-aware Heterogeneous Graph Neural Networks (LDHGNN). The code is public at https://github.com/wangyili00/LDHGNN.
Authors: Enrique Riveros, Carla Vairetti, Christian Wegmann, Santiago Truffa, Sebasti\'an Maldonado
Abstract: This paper aims to enrich the capabilities of existing deep learning-based automated valuation models through an efficient graph representation of peer dependencies, thus capturing intricate spatial relationships. In particular, we develop two novel graph neural network models that effectively identify sequences of neighboring houses with similar features, employing different message passing algorithms. The first strategy consider standard spatial graph convolutions, while the second one utilizes transformer graph convolutions. This approach confers scalability to the modeling process. The experimental evaluation is conducted using a proprietary dataset comprising approximately 200,000 houses located in Santiago, Chile. We show that employing tailored graph neural networks significantly improves the accuracy of house price prediction, especially when utilizing transformer convolutional message passing layers.
Authors: Ahmed Ali Abbasi, Namrata Vaswani
Abstract: In this work, we develop and analyze a Gradient Descent (GD) based solution, called Alternating GD and Minimization (AltGDmin), for efficiently solving the low rank matrix completion (LRMC) in a federated setting. LRMC involves recovering an $n \times q$ rank-$r$ matrix $\Xstar$ from a subset of its entries when $r \ll \min(n,q)$. Our theoretical guarantees (iteration and sample complexity bounds) imply that AltGDmin is the most communication-efficient solution in a federated setting, is one of the fastest, and has the second best sample complexity among all iterative solutions to LRMC. In addition, we also prove two important corollaries. (a) We provide a guarantee for AltGDmin for solving the noisy LRMC problem. (b) We show how our lemmas can be used to provide an improved sample complexity guarantee for AltMin, which is the fastest centralized solution.
Authors: Martino Bernasconi, Matteo Castiglioni, Andrea Celli
Abstract: In the bandits with knapsacks framework (BwK) the learner has $m$ resource-consumption (packing) constraints. We focus on the generalization of BwK in which the learner has a set of general long-term constraints. The goal of the learner is to maximize their cumulative reward, while at the same time achieving small cumulative constraints violations. In this scenario, there exist simple instances where conventional methods for BwK fail to yield sublinear violations of constraints. We show that it is possible to circumvent this issue by requiring the primal and dual algorithm to be weakly adaptive. Indeed, even in absence on any information on the Slater's parameter $\rho$ characterizing the problem, the interplay between weakly adaptive primal and dual regret minimizers yields a "self-bounding" property of dual variables. In particular, their norm remains suitably upper bounded across the entire time horizon even without explicit projection steps. By exploiting this property, we provide best-of-both-worlds guarantees for stochastic and adversarial inputs. In the first case, we show that the algorithm guarantees sublinear regret. In the latter case, we establish a tight competitive ratio of $\rho/(1+\rho)$. In both settings, constraints violations are guaranteed to be sublinear in time. Finally, this results allow us to obtain new result for the problem of contextual bandits with linear constraints, providing the first no-$\alpha$-regret guarantees for adversarial contexts.
Authors: Omri Ben-Dov, Jake Fawkes, Samira Samadi, Amartya Sanyal
Abstract: Collective action in Machine Learning is the study of the control that a coordinated group can have over machine learning algorithms. While previous research has concentrated on assessing the impact of collectives against Bayes optimal classifiers, this perspective is limited, given that in reality, classifiers seldom achieve Bayes optimality and are influenced by the choice of learning algorithms along with their inherent inductive biases. In this work, we initiate the study of how the choice of the learning algorithm plays a role in the success of a collective in practical settings. Specifically, we focus on distributionally robust algorithms (DRO), popular for improving a worst group error, and on the popular stochastic gradient descent (SGD), due to its inductive bias for "simpler" functions. Our empirical results, supported by a theoretical foundation, show that the effective size and success of the collective are highly dependent on properties of the learning algorithm. This highlights the necessity of taking the learning algorithm into account when studying the impact of collective action in Machine learning.
Authors: Chakshu Moar, Michael Pellauer, Hyoukjun Kwon
Abstract: Large language models (LLMs) have emerged and presented their general problem-solving capabilities with one model. However, the model size has increased dramatically with billions of parameters to enable such broad problem-solving capabilities. In addition, due to the dominance of matrix-matrix and matrix-vector multiplications in LLMs, the compute-to-model size ratio is significantly lower than that of CNNs. This shift pushes LLMs from a computation-bound regime to a memory-bound regime. Therefore, optimizing the memory footprint and traffic is an important optimization direction for LLMs today. Model compression methods such as quantization and parameter pruning have been actively explored for achieving the memory footprint and traffic optimization. However, the accuracy-efficiency trade-off of rank pruning for LLMs is not well-understood yet. Therefore, we characterize the accuracy-efficiency trade-off of a low-rank decomposition method, specifically Tucker decomposition, on recent language models, including an open-source LLM, Llama 2. We formalize the low-rank decomposition design space and show that the decomposition design space is enormous (e.g., O($2^{37}$) for Llama2-7B). To navigate such a vast design space, we formulate the design space and perform thorough case studies of accuracy-efficiency trade-offs using six widely used LLM benchmarks on BERT and Llama 2 models. Our results show that we can achieve a 9\% model size reduction with minimal accuracy drops, which range from 4\%p to 10\%p, depending on the difficulty of the benchmark, without any retraining to recover accuracy after decomposition. The results show that low-rank decomposition can be a promising direction for LLM-based applications that require real-time service in scale (e.g., AI agent assist and real-time coding assistant), where the latency is as important as the model accuracy.
Authors: Drew Prinster, Samuel Stanton, Anqi Liu, Suchi Saria
Abstract: As machine learning (ML) gains widespread adoption, practitioners are increasingly seeking means to quantify and control the risk these systems incur. This challenge is especially salient when ML systems have autonomy to collect their own data, such as in black-box optimization and active learning, where their actions induce sequential feedback-loop shifts in the data distribution. Conformal prediction has emerged as a promising approach to uncertainty and risk quantification, but existing variants either fail to accommodate sequences of data-dependent shifts, or do not fully exploit the fact that agent-induced shift is under our control. In this work we prove that conformal prediction can theoretically be extended to \textit{any} joint data distribution, not just exchangeable or quasi-exchangeable ones, although it is exceedingly impractical to compute in the most general case. For practical applications, we outline a procedure for deriving specific conformal algorithms for any data distribution, and we use this procedure to derive tractable algorithms for a series of agent-induced covariate shifts. We evaluate the proposed algorithms empirically on synthetic black-box optimization and active learning tasks.
Authors: Seungwook Han, Idan Shenfeld, Akash Srivastava, Yoon Kim, Pulkit Agrawal
Abstract: Aligning Large Language Models (LLMs) to cater to different human preferences, learning new skills, and unlearning harmful behavior is an important problem. Search-based methods, such as Best-of-N or Monte-Carlo Tree Search, are performant, but impractical for LLM adaptation due to their high inference cost. On the other hand, using Reinforcement Learning (RL) for adaptation is computationally efficient, but performs worse due to the optimization challenges in co-training the value function and the policy. We present a new framework for reward optimization, Value Augmented Sampling (VAS), that can maximize different reward functions using data sampled from only the initial, frozen LLM. VAS solves for the optimal reward-maximizing policy without co-training the policy and the value function, making the optimization stable, outperforming established baselines, such as PPO and DPO, on standard benchmarks, and achieving comparable results to Best-of-128 with lower inference cost. Unlike existing RL methods that require changing the weights of the LLM, VAS does not require access to the weights of the pre-trained LLM. Thus, it can even adapt LLMs (e.g., ChatGPT), which are available only as APIs. In addition, our algorithm unlocks the new capability of composing several rewards and controlling the extent of each one during deployment time, paving the road ahead for the future of aligned, personalized LLMs.
Authors: Haris Shuaib, Gareth J Barker, Peter Sasieni, Enrico De Vita, Alysha Chelliah, Roman Andrei, Keyoumars Ashkan, Erica Beaumont, Lucy Brazil, Chris Rowland-Hill, Yue Hui Lau, Aysha Luis, James Powell, Angela Swampillai, Sean Tenant, Stefanie C Thust, Stephen Wastling, Tom Young, Thomas C Booth
Abstract: Objective: To report imaging protocol and scheduling variance in routine care of glioblastoma patients in order to demonstrate challenges of integrating deep-learning models in glioblastoma care pathways. Additionally, to understand the most common imaging studies and image contrasts to inform the development of potentially robust deep-learning models. Methods: MR imaging data were analysed from a random sample of five patients from the prospective cohort across five participating sites of the ZGBM consortium. Reported clinical and treatment data alongside DICOM header information were analysed to understand treatment pathway imaging schedules. Results: All sites perform all structural imaging at every stage in the pathway except for the presurgical study, where in some sites only contrast-enhanced T1-weighted imaging is performed. Diffusion MRI is the most common non-structural imaging type, performed at every site. Conclusion: The imaging protocol and scheduling varies across the UK, making it challenging to develop machine-learning models that could perform robustly at other centres. Structural imaging is performed most consistently across all centres. Advances in knowledge: Successful translation of deep-learning models will likely be based on structural post-treatment imaging unless there is significant effort made to standardise non-structural or peri-operative imaging protocols and schedules.
Authors: Bo Dang, Wenchao Zhao, Yufeng Li, Danqing Ma, Qixuan Yu, Elly Yijun Zhu
Abstract: The prevalence of mobile technology offers unique opportunities for addressing healthcare challenges, especially for individuals with visual impairments. This paper explores the development and implementation of a deep learning-based mobile application designed to assist blind and visually impaired individuals in real-time pill identification. Utilizing the YOLO framework, the application aims to accurately recognize and differentiate between various pill types through real-time image processing on mobile devices. The system incorporates Text-to- Speech (TTS) to provide immediate auditory feedback, enhancing usability and independence for visually impaired users. Our study evaluates the application's effectiveness in terms of detection accuracy and user experience, highlighting its potential to improve medication management and safety among the visually impaired community. Keywords-Deep Learning; YOLO Framework; Mobile Application; Visual Impairment; Pill Identification; Healthcare
Authors: Mehzooz Nizar, Jha K. Ambuj, Manmeet Singh, Vaisakh S. B, G. Pandithurai
Abstract: The knowledge of type of precipitating cloud is crucial for radar based quantitative estimates of precipitation. We propose a novel model called CloudSense which uses machine learning to accurately identify the type of precipitating clouds over the complex terrain locations in the Western Ghats (WGs) of India. CloudSense uses vertical reflectivity profiles collected during July-August 2018 from an X-band radar to classify clouds into four categories namely stratiform,mixed stratiform-convective,convective and shallow clouds. The machine learning(ML) model used in CloudSense was trained using a dataset balanced by Synthetic Minority Oversampling Technique (SMOTE), with features selected based on physical characteristics relevant to different cloud types. Among various ML models evaluated Light Gradient Boosting Machine (LightGBM) demonstrate superior performance in classifying cloud types with a BAC of 0.8 and F1-Score of 0.82. CloudSense generated results are also compared against conventional radar algorithms and we find that CloudSense performs better than radar algorithms. For 200 samples tested, the radar algorithm achieved a BAC of 0.69 and F1-Score of 0.68, whereas CloudSense achieved a BAC and F1-Score of 0.77. Our results show that ML based approach can provide more accurate cloud detection and classification which would be useful to improve precipitation estimates over the complex terrain of the WG.
Authors: Yang Bai, Ge Pei, Jindong Gu, Yong Yang, Xingjun Ma
Abstract: Large language models (LLMs) have achieved remarkable performance on a wide range of tasks. However, recent studies have shown that LLMs can memorize training data and simple repeated tokens can trick the model to leak the data. In this paper, we take a step further and show that certain special characters or their combinations with English letters are stronger memory triggers, leading to more severe data leakage. The intuition is that, since LLMs are trained with massive data that contains a substantial amount of special characters (e.g. structural symbols {, } of JSON files, and @, # in emails and online posts), the model may memorize the co-occurrence between these special characters and the raw texts. This motivates us to propose a simple but effective Special Characters Attack (SCA) to induce training data leakage. Our experiments verify the high effectiveness of SCA against state-of-the-art LLMs: they can leak diverse training data, such as code corpus, web pages, and personally identifiable information, and sometimes generate non-stop outputs as a byproduct. We further show that the composition of the training data corpus can be revealed by inspecting the leaked data -- one crucial piece of information for pre-training high-performance LLMs. Our work can help understand the sensitivity of LLMs to special characters and identify potential areas for improvement.
Authors: Zhufeng Li, Sandeep S Cranganore, Nicholas Youngblut, Niki Kilbertus
Abstract: Leveraging the vast genetic diversity within microbiomes offers unparalleled insights into complex phenotypes, yet the task of accurately predicting and understanding such traits from genomic data remains challenging. We propose a framework taking advantage of existing large models for gene vectorization to predict habitat specificity from entire microbial genome sequences. Based on our model, we develop attribution techniques to elucidate gene interaction effects that drive microbial adaptation to diverse environments. We train and validate our approach on a large dataset of high quality microbiome genomes from different habitats. We not only demonstrate solid predictive performance, but also how sequence-level information of entire genomes allows us to identify gene associations underlying complex phenotypes. Our attribution recovers known important interaction networks and proposes new candidates for experimental follow up.
Authors: Christoforos Vasilatos, Dunia J. Mahboobeh, Hithem Lamri, Manaar Alam, Michail Maniatakos
Abstract: Industrial Control Systems (ICS) are extensively used in critical infrastructures ensuring efficient, reliable, and continuous operations. However, their increasing connectivity and addition of advanced features make them vulnerable to cyber threats, potentially leading to severe disruptions in essential services. In this context, honeypots play a vital role by acting as decoy targets within ICS networks, or on the Internet, helping to detect, log, analyze, and develop mitigations for ICS-specific cyber threats. Deploying ICS honeypots, however, is challenging due to the necessity of accurately replicating industrial protocols and device characteristics, a crucial requirement for effectively mimicking the unique operational behavior of different industrial systems. Moreover, this challenge is compounded by the significant manual effort required in also mimicking the control logic the PLC would execute, in order to capture attacker traffic aiming to disrupt critical infrastructure operations. In this paper, we propose LLMPot, a novel approach for designing honeypots in ICS networks harnessing the potency of Large Language Models (LLMs). LLMPot aims to automate and optimize the creation of realistic honeypots with vendor-agnostic configurations, and for any control logic, aiming to eliminate the manual effort and specialized knowledge traditionally required in this domain. We conducted extensive experiments focusing on a wide array of parameters, demonstrating that our LLM-based approach can effectively create honeypot devices implementing different industrial protocols and diverse control logic.
Authors: Yeqi Gao, Yuzhou Gu, Zhao Song
Abstract: Softmax distributions are widely used in machine learning, including Large Language Models (LLMs) where the attention unit uses softmax distributions. We abstract the attention unit as the softmax model, where given a vector input, the model produces an output drawn from the softmax distribution (which depends on the vector input). We consider the fundamental problem of binary hypothesis testing in the setting of softmax models. That is, given an unknown softmax model, which is known to be one of the two given softmax models, how many queries are needed to determine which one is the truth? We show that the sample complexity is asymptotically $O(\epsilon^{-2})$ where $\epsilon$ is a certain distance between the parameters of the models. Furthermore, we draw analogy between the softmax model and the leverage score model, an important tool for algorithm design in linear algebra and graph theory. The leverage score model, on a high level, is a model which, given vector input, produces an output drawn from a distribution dependent on the input. We obtain similar results for the binary hypothesis testing problem for leverage score models.
Authors: Lihao Gan, Xin Man, Chenghong Zhang, Jie Shao
Abstract: Weather forecasting is a crucial task for meteorologic research, with direct social and economic impacts. Recently, data-driven weather forecasting models based on deep learning have shown great potential, achieving superior performance compared with traditional numerical weather prediction methods. However, these models often require massive training data and computational resources. In this paper, we propose EWMoE, an effective model for accurate global weather forecasting, which requires significantly less training data and computational resources. Our model incorporates three key components to enhance prediction accuracy: meteorology-specific embedding, a core Mixture-of-Experts (MoE) layer, and two specific loss functions. We conduct our evaluation on the ERA5 dataset using only two years of training data. Extensive experiments demonstrate that EWMoE outperforms current models such as FourCastNet and ClimaX at all forecast time, achieving competitive performance compared with the state-of-the-art Pangu-Weather model in evaluation metrics such as Anomaly Correlation Coefficient (ACC) and Root Mean Square Error (RMSE). Additionally, ablation studies indicate that applying the MoE architecture to weather forecasting offers significant advantages in improving accuracy and resource efficiency.
Authors: Satyadwyoom Kumar, Saurabh Gupta, Arun Balaji Buduru
Abstract: Deep Learning has become popular due to its vast applications in almost all domains. However, models trained using deep learning are prone to failure for adversarial samples and carry a considerable risk in sensitive applications. Most of these adversarial attack strategies assume that the adversary has access to the training data, the model parameters, and the input during deployment, hence, focus on perturbing the pixel level information present in the input image. Adversarial Patches were introduced to the community which helped in bringing out the vulnerability of deep learning models in a much more pragmatic manner but here the attacker has a white-box access to the model parameters. Recently, there has been an attempt to develop these adversarial attacks using black-box techniques. However, certain assumptions such as availability large training data is not valid for a real-life scenarios. In a real-life scenario, the attacker can only assume the type of model architecture used from a select list of state-of-the-art architectures while having access to only a subset of input dataset. Hence, we propose an black-box adversarial attack strategy that produces adversarial patches which can be applied anywhere in the input image to perform an adversarial attack.
Authors: Kovvuri Sai Gopal Reddy, Bodduluri Saran, A. Mudit Adityaja, Saurabh J. Shigwan, Nitin Kumar
Abstract: Image segmentation, the process of partitioning an image into meaningful regions, plays a pivotal role in computer vision and medical imaging applications. Unsupervised segmentation, particularly in the absence of labeled data, remains a challenging task due to the inter-class similarity and variations in intensity and resolution. In this study, we extract high-level features of the input image using pretrained vision transformer. Subsequently, the proposed method leverages the underlying graph structures of the images, seeking to discover and delineate meaningful boundaries using graph neural networks and modularity based optimization criteria without relying on pre-labeled training data. Experimental results on benchmark datasets demonstrate the effectiveness and versatility of the proposed approach, showcasing competitive performance compared to the state-of-the-art unsupervised segmentation methods. This research contributes to the broader field of unsupervised medical imaging and computer vision by presenting an innovative methodology for image segmentation that aligns with real-world challenges. The proposed method holds promise for diverse applications, including medical imaging, remote sensing, and object recognition, where labeled data may be scarce or unavailable. The github repository of the code is available on [https://github.com/ksgr5566/unseggnet]
Authors: Alexandra Zytek, Sara Pid\`o, Kalyan Veeramachaneni
Abstract: In response to the demand for Explainable Artificial Intelligence (XAI), we investigate the use of Large Language Models (LLMs) to transform ML explanations into natural, human-readable narratives. Rather than directly explaining ML models using LLMs, we focus on refining explanations computed using existing XAI algorithms. We outline several research directions, including defining evaluation metrics, prompt design, comparing LLM models, exploring further training methods, and integrating external data. Initial experiments and user study suggest that LLMs offer a promising way to enhance the interpretability and usability of XAI.
Authors: Zifan He, Zongyue Qin, Neha Prakriya, Yizhou Sun, Jason Cong
Abstract: Transformer-based large language models (LLM) have been widely used in language processing applications. However, most of them restrict the context window that permits the model to attend to every token in the inputs. Previous works in recurrent models can memorize past tokens to enable unlimited context and maintain effectiveness. However, they have "flat" memory architectures, which have limitations in selecting and filtering information. Since humans are good at learning and self-adjustment, we speculate that imitating brain memory hierarchy is beneficial for model memorization. We propose the Hierarchical Memory Transformer (HMT), a novel framework that enables and improves models' long-context processing ability by imitating human memorization behavior. Leveraging memory-augmented segment-level recurrence, we organize the memory hierarchy by preserving tokens from early input token segments, passing memory embeddings along the sequence, and recalling relevant information from history. Evaluating general language modeling (Wikitext-103, PG-19) and question-answering tasks (PubMedQA), we show that HMT steadily improves the long-context processing ability of context-constrained and long-context models. With an additional 0.5% - 2% of parameters, HMT can easily plug in and augment future LLMs to handle long context effectively. Our code is open-sourced on Github: https://github.com/OswaldHe/HMT-pytorch.
Authors: Yuyang Zhang, Shahriar Talebi, Na Li
Abstract: In this paper, we focus on learning a linear time-invariant (LTI) model with low-dimensional latent variables but high-dimensional observations. We provide an algorithm that recovers the high-dimensional features, i.e. column space of the observer, embeds the data into low dimensions and learns the low-dimensional model parameters. Our algorithm enjoys a sample complexity guarantee of order $\tilde{\mathcal{O}}(n/\epsilon^2)$, where $n$ is the observation dimension. We further establish a fundamental lower bound indicating this complexity bound is optimal up to logarithmic factors and dimension-independent constants. We show that this inevitable linear factor of $n$ is due to the learning error of the observer's column space in the presence of high-dimensional noise. Extending our results, we consider a meta-learning problem inspired by various real-world applications, where the observer column space can be collectively learned from datasets of multiple LTI systems. An end-to-end algorithm is then proposed, facilitating learning LTI systems from a meta-dataset which breaks the sample complexity lower bound in certain scenarios.
Authors: Yao Ge, Sudeshna Das, Karen O'Connor, Mohammed Ali Al-Garadi, Graciela Gonzalez-Hernandez, Abeed Sarker
Abstract: Substance use disorders (SUDs) are a growing concern globally, necessitating enhanced understanding of the problem and its trends through data-driven research. Social media are unique and important sources of information about SUDs, particularly since the data in such sources are often generated by people with lived experiences. In this paper, we introduce Reddit-Impacts, a challenging Named Entity Recognition (NER) dataset curated from subreddits dedicated to discussions on prescription and illicit opioids, as well as medications for opioid use disorder. The dataset specifically concentrates on the lesser-studied, yet critically important, aspects of substance use--its clinical and social impacts. We collected data from chosen subreddits using the publicly available Application Programming Interface for Reddit. We manually annotated text spans representing clinical and social impacts reported by people who also reported personal nonmedical use of substances including but not limited to opioids, stimulants and benzodiazepines. Our objective is to create a resource that can enable the development of systems that can automatically detect clinical and social impacts of substance use from text-based social media data. The successful development of such systems may enable us to better understand how nonmedical use of substances affects individual health and societal dynamics, aiding the development of effective public health strategies. In addition to creating the annotated data set, we applied several machine learning models to establish baseline performances. Specifically, we experimented with transformer models like BERT, and RoBERTa, one few-shot learning model DANN by leveraging the full training dataset, and GPT-3.5 by using one-shot learning, for automatic NER of clinical and social impacts. The dataset has been made available through the 2024 SMM4H shared tasks.
Authors: Wesley C. Fraser (Herzberg Astronomy,Astrophysics Research Centre, National Research Council of Canada)
Abstract: The scientific study of the Solar System's minor bodies ultimately starts with a search for those bodies. This chapter presents a review of the use of machine learning techniques to find moving objects, both natural and artificial, in astronomical imagery. After a short review of the classical non-machine learning techniques that are historically used, I review the relatively nascent machine learning literature, which can broadly be summarized into three categories: streak detection, detection of moving point sources in image sequences, and detection of moving sources in shift and stack searches. In most cases, convolutional neural networks are utilized, which is the obvious choice given the imagery nature of the inputs. In this chapter I present two example networks: a Residual Network I designed which is in use in various shift and stack searches, and a convolutional neural network that was designed for prediction of source brightnesses and their uncertainties in those same shift-stacks. In discussion of the literature and example networks, I discuss various pitfalls with the use of machine learning techniques, including a discussion on the important issue of overfitting. I discuss various pitfall associated with the use of machine learning techniques, and what I consider best practices to follow in the application of machine learning to a new problem, including methods for the creation of robust training sets, validation, and training to avoid overfitting.
Authors: Yuqi Fang, Junhao Zhang, Linmin Wang, Qianqian Wang, Mingxia Liu
Abstract: Functional magnetic resonance imaging (fMRI) has been increasingly employed to investigate functional brain activity. Many fMRI-related software/toolboxes have been developed, providing specialized algorithms for fMRI analysis. However, existing toolboxes seldom consider fMRI data augmentation, which is quite useful, especially in studies with limited or imbalanced data. Moreover, current studies usually focus on analyzing fMRI using conventional machine learning models that rely on human-engineered fMRI features, without investigating deep learning models that can automatically learn data-driven fMRI representations. In this work, we develop an open-source toolbox, called Augmentation and Computation Toolbox for braIn netwOrk aNalysis (ACTION), offering comprehensive functions to streamline fMRI analysis. The ACTION is a Python-based and cross-platform toolbox with graphical user-friendly interfaces. It enables automatic fMRI augmentation, covering blood-oxygen-level-dependent (BOLD) signal augmentation and brain network augmentation. Many popular methods for brain network construction and network feature extraction are included. In particular, it supports constructing deep learning models, which leverage large-scale auxiliary unlabeled data (3,800+ resting-state fMRI scans) for model pretraining to enhance model performance for downstream tasks. To facilitate multi-site fMRI studies, it is also equipped with several popular federated learning strategies. Furthermore, it enables users to design and test custom algorithms through scripting, greatly improving its utility and extensibility. We demonstrate the effectiveness and user-friendliness of ACTION on real fMRI data and present the experimental results. The software, along with its source code and manual, can be accessed online.
Authors: Manish Dhakal, Rabin Adhikari, Safal Thapaliya, Bishesh Khanal
Abstract: Foundation Vision-Language Models (VLMs) trained using large-scale open-domain images and text pairs have recently been adapted to develop Vision-Language Segmentation Models (VLSMs) that allow providing text prompts during inference to guide image segmentation. If robust and powerful VLSMs can be built for medical images, it could aid medical professionals in many clinical tasks where they must spend substantial time delineating the target structure of interest. VLSMs for medical images resort to fine-tuning base VLM or VLSM pretrained on open-domain natural image datasets due to fewer annotated medical image datasets; this fine-tuning is resource-consuming and expensive as it usually requires updating all or a significant fraction of the pretrained parameters. Recently, lightweight blocks called adapters have been proposed in VLMs that keep the pretrained model frozen and only train adapters during fine-tuning, substantially reducing the computing resources required. We introduce a novel adapter, VLSM-Adapter, that can fine-tune pretrained vision-language segmentation models using transformer encoders. Our experiments in widely used CLIP-based segmentation models show that with only 3 million trainable parameters, the VLSM-Adapter outperforms state-of-the-art and is comparable to the upper bound end-to-end fine-tuning. The source code is available at: https://github.com/naamiinepal/vlsm-adapter.
Authors: Yujie Zhang, Neil Gong, Michael K. Reiter
Abstract: Federated Learning (FL) is a decentralized machine learning method that enables participants to collaboratively train a model without sharing their private data. Despite its privacy and scalability benefits, FL is susceptible to backdoor attacks, where adversaries poison the local training data of a subset of clients using a backdoor trigger, aiming to make the aggregated model produce malicious results when the same backdoor condition is met by an inference-time input. Existing backdoor attacks in FL suffer from common deficiencies: fixed trigger patterns and reliance on the assistance of model poisoning. State-of-the-art defenses based on Byzantine-robust aggregation exhibit a good defense performance on these attacks because of the significant divergence between malicious and benign model updates. To effectively conceal malicious model updates among benign ones, we propose DPOT, a backdoor attack strategy in FL that dynamically constructs backdoor objectives by optimizing a backdoor trigger, making backdoor data have minimal effect on model updates. We provide theoretical justifications for DPOT's attacking principle and display experimental results showing that DPOT, via only a data-poisoning attack, effectively undermines state-of-the-art defenses and outperforms existing backdoor attack techniques on various datasets.
Authors: Ju-Hyeon Nam, Nur Suriza Syazwany, Su Jung Kim, Sang-Chul Lee
Abstract: Generalizability in deep neural networks plays a pivotal role in medical image segmentation. However, deep learning-based medical image analyses tend to overlook the importance of frequency variance, which is critical element for achieving a model that is both modality-agnostic and domain-generalizable. Additionally, various models fail to account for the potential information loss that can arise from multi-task learning under deep supervision, a factor that can impair the model representation ability. To address these challenges, we propose a Modality-agnostic Domain Generalizable Network (MADGNet) for medical image segmentation, which comprises two key components: a Multi-Frequency in Multi-Scale Attention (MFMSA) block and Ensemble Sub-Decoding Module (E-SDM). The MFMSA block refines the process of spatial feature extraction, particularly in capturing boundary features, by incorporating multi-frequency and multi-scale features, thereby offering informative cues for tissue outline and anatomical structures. Moreover, we propose E-SDM to mitigate information loss in multi-task learning with deep supervision, especially during substantial upsampling from low resolution. We evaluate the segmentation performance of MADGNet across six modalities and fifteen datasets. Through extensive experiments, we demonstrate that MADGNet consistently outperforms state-of-the-art models across various modalities, showcasing superior segmentation performance. This affirms MADGNet as a robust solution for medical image segmentation that excels in diverse imaging scenarios. Our MADGNet code is available in GitHub Link.
Authors: Leon Eisemann, Mirjam Fehling-Kaschek, Silke Forkert, Andreas Forster, Henrik Gommel, Susanne Guenther, Stephan Hammer, David Hermann, Marvin Klemp, Benjamin Lickert, Florian Luettner, Robin Moss, Nicole Neis, Maria Pohle, Dominik Schreiber, Cathrina Sowa, Daniel Stadler, Janina Stompe, Michael Strobelt, David Unger, Jens Ziehn
Abstract: With growing complexity and responsibility of automated driving functions in road traffic and growing scope of their operational design domains, there is increasing demand for covering significant parts of development, validation, and verification via virtual environments and simulation models. If, however, simulations are meant not only to augment real-world experiments, but to replace them, quantitative approaches are required that measure to what degree and under which preconditions simulation models adequately represent reality, and thus allow their usage for virtual testing of driving functions. Especially in research and development areas related to the safety impacts of the "open world", there is a significant shortage of real-world data to parametrize and/or validate simulations - especially with respect to the behavior of human traffic participants, whom automated vehicles will meet in mixed traffic. This paper presents the intermediate results of the German AVEAS research project (www.aveas.org) which aims at developing methods and metrics for the harmonized, systematic, and scalable acquisition of real-world data for virtual verification and validation of advanced driver assistance systems and automated driving, and establishing an online database following the FAIR principles.
Authors: Javier Coronado-Bl\'azquez
Abstract: Many videogames suffer "review bombing" -a large volume of unusually low scores that in many cases do not reflect the real quality of the product- when rated by users. By taking Metacritic's 50,000+ user score aggregations for PC games in English language, we use a Natural Language Processing (NLP) approach to try to understand the main words and concepts appearing in such cases, reaching a 0.88 accuracy on a validation set when distinguishing between just bad ratings and review bombings. By uncovering and analyzing the patterns driving this phenomenon, these results could be used to further mitigate these situations.
Authors: Junyu Zhou, Puyu Wang, Ding-Xuan Zhou
Abstract: While considerable theoretical progress has been devoted to the study of metric and similarity learning, the generalization mystery is still missing. In this paper, we study the generalization performance of metric and similarity learning by leveraging the specific structure of the true metric (the target function). Specifically, by deriving the explicit form of the true metric for metric and similarity learning with the hinge loss, we construct a structured deep ReLU neural network as an approximation of the true metric, whose approximation ability relies on the network complexity. Here, the network complexity corresponds to the depth, the number of nonzero weights and the computation units of the network. Consider the hypothesis space which consists of the structured deep ReLU networks, we develop the excess generalization error bounds for a metric and similarity learning problem by estimating the approximation error and the estimation error carefully. An optimal excess risk rate is derived by choosing the proper capacity of the constructed hypothesis space. To the best of our knowledge, this is the first-ever-known generalization analysis providing the excess generalization error for metric and similarity learning. In addition, we investigate the properties of the true metric of metric and similarity learning with general losses.
Authors: JoonHo Lee, Jae Oh Woo, Juree Seok, Parisa Hassanzadeh, Wooseok Jang, JuYoun Son, Sima Didari, Baruch Gutow, Heng Hao, Hankyu Moon, Wenjun Hu, Yeong-Dae Kwon, Taehee Lee, Seungjai Min
Abstract: Assessing response quality to instructions in language models is vital but challenging due to the complexity of human language across different contexts. This complexity often results in ambiguous or inconsistent interpretations, making accurate assessment difficult. To address this issue, we propose a novel Uncertainty-aware Reward Model (URM) that introduces a robust uncertainty estimation for the quality of paired responses based on Bayesian approximation. Trained with preference datasets, our uncertainty-enabled proxy not only scores rewards for responses but also evaluates their inherent uncertainty. Empirical results demonstrate significant benefits of incorporating the proposed proxy into language model training. Our method boosts the instruction following capability of language models by refining data curation for training and improving policy optimization objectives, thereby surpassing existing methods by a large margin on benchmarks such as Vicuna and MT-bench. These findings highlight that our proposed approach substantially advances language model training and paves a new way of harnessing uncertainty within language models.
Authors: Hartmut H\"antze, Lina Xu, Felix J. Dorfner, Leonhard Donle, Daniel Truhn, Hugo Aerts, Mathias Prokop, Bram van Ginneken, Alessa Hering, Lisa C. Adams, Keno K. Bressem
Abstract: Purpose: To introduce a deep learning model capable of multi-organ segmentation in MRI scans, offering a solution to the current limitations in MRI analysis due to challenges in resolution, standardized intensity values, and variability in sequences. Materials and Methods: he model was trained on 1,200 manually annotated MRI scans from the UK Biobank, 221 in-house MRI scans and 1228 CT scans, leveraging cross-modality transfer learning from CT segmentation models. A human-in-the-loop annotation workflow was employed to efficiently create high-quality segmentations. The model's performance was evaluated on NAKO and the AMOS22 dataset containing 600 and 60 MRI examinations. Dice Similarity Coefficient (DSC) and Hausdorff Distance (HD) was used to assess segmentation accuracy. The model will be open sourced. Results: The model showcased high accuracy in segmenting well-defined organs, achieving Dice Similarity Coefficient (DSC) scores of 0.97 for the right and left lungs, and 0.95 for the heart. It also demonstrated robustness in organs like the liver (DSC: 0.96) and kidneys (DSC: 0.95 left, 0.95 right), which present more variability. However, segmentation of smaller and complex structures such as the portal and splenic veins (DSC: 0.54) and adrenal glands (DSC: 0.65 left, 0.61 right) revealed the need for further model optimization. Conclusion: The proposed model is a robust, tool for accurate segmentation of 40 anatomical structures in MRI and CT images. By leveraging cross-modality learning and interactive annotation, the model achieves strong performance and generalizability across diverse datasets, making it a valuable resource for researchers and clinicians. It is open source and can be downloaded from https://github.com/hhaentze/MRSegmentator.
Authors: Andra\v{z} Jelin\v{c}i\v{c}, James Foster, Patrick Kidger
Abstract: Despite the success of adaptive time-stepping in ODE simulation, it has so far seen few applications for Stochastic Differential Equations (SDEs). To simulate SDEs adaptively, methods such as the Virtual Brownian Tree (VBT) have been developed, which can generate Brownian motion (BM) non-chronologically. However, in most applications, knowing only the values of Brownian motion is not enough to achieve a high order of convergence; for that, we must compute time-integrals of BM such as $\int_s^t W_r \, dr$. With the aim of using high order SDE solvers adaptively, we extend the VBT to generate these integrals of BM in addition to the Brownian increments. A JAX-based implementation of our construction is included in the popular Diffrax library (https://github.com/patrick-kidger/diffrax). Since the entire Brownian path produced by VBT is uniquely determined by a single PRNG seed, previously generated samples need not be stored, which results in a constant memory footprint and enables experiment repeatability and strong error estimation. Based on binary search, the VBT's time complexity is logarithmic in the tolerance parameter $\varepsilon$. Unlike the original VBT algorithm, which was only precise at some dyadic times, we prove that our construction exactly matches the joint distribution of the Brownian motion and its time integrals at any query times, provided they are at least $\varepsilon$ apart. We present two applications of adaptive high order solvers enabled by our new VBT. Using adaptive solvers to simulate a high-volatility CIR model, we achieve more than twice the convergence order of constant stepping. We apply an adaptive third order underdamped or kinetic Langevin solver to an MCMC problem, where our approach outperforms the No U-Turn Sampler, while using only a tenth of its function evaluations.
Authors: Jamie Stirling, Noura Al-Moubayed
Abstract: Compositional image generation requires models to generalise well in situations where two or more input concepts do not necessarily appear together in training (compositional generalisation). Despite recent progress in compositional image generation via composing continuous sampling processes such as diffusion and energy-based models, composing discrete generative processes has remained an open challenge, with the promise of providing improvements in efficiency, interpretability and simplicity. To this end, we propose a formulation for controllable conditional generation of images via composing the log-probability outputs of discrete generative models of the latent space. Our approach, when applied alongside VQ-VAE and VQ-GAN, achieves state-of-the-art generation accuracy in three distinct settings (FFHQ, Positional CLEVR and Relational CLEVR) while attaining competitive Fr\'echet Inception Distance (FID) scores. Our method attains an average generation accuracy of $80.71\%$ across the studied settings. Our method also outperforms the next-best approach (ranked by accuracy) in terms of FID in seven out of nine experiments, with an average FID of $24.23$ (an average improvement of $-9.58$). Furthermore, our method offers a $2.3\times$ to $12\times$ speedup over comparable continuous compositional methods on our hardware. We find that our method can generalise to combinations of input conditions that lie outside the training data (e.g. more objects per image) in addition to offering an interpretable dimension of controllability via concept weighting. We further demonstrate that our approach can be readily applied to an open pre-trained discrete text-to-image model without any fine-tuning, allowing for fine-grained control of text-to-image generation.
Authors: Mengjia Niu, Hao Li, Jie Shi, Hamed Haddadi, Fan Mo
Abstract: Large language models (LLMs) have demonstrated remarkable capabilities across various domains, although their susceptibility to hallucination poses significant challenges for their deployment in critical areas such as healthcare. To address this issue, retrieving relevant facts from knowledge graphs (KGs) is considered a promising method. Existing KG-augmented approaches tend to be resource-intensive, requiring multiple rounds of retrieval and verification for each factoid, which impedes their application in real-world scenarios. In this study, we propose Self-Refinement-Enhanced Knowledge Graph Retrieval (Re-KGR) to augment the factuality of LLMs' responses with less retrieval efforts in the medical field. Our approach leverages the attribution of next-token predictive probability distributions across different tokens, and various model layers to primarily identify tokens with a high potential for hallucination, reducing verification rounds by refining knowledge triples associated with these tokens. Moreover, we rectify inaccurate content using retrieved knowledge in the post-processing stage, which improves the truthfulness of generated responses. Experimental results on a medical dataset demonstrate that our approach can enhance the factual capability of LLMs across various foundational models as evidenced by the highest scores on truthfulness.
Authors: Kuo-Wei Lai, Vidya Muthukumar
Abstract: Overparameterized models that achieve zero training error are observed to generalize well on average, but degrade in performance when faced with data that is under-represented in the training sample. In this work, we study an overparameterized Gaussian mixture model imbued with a spurious feature, and sharply analyze the in-distribution and out-of-distribution test error of a cost-sensitive interpolating solution that incorporates "importance weights". Compared to recent work Wang et al. (2021), Behnia et al. (2022), our analysis is sharp with matching upper and lower bounds, and significantly weakens required assumptions on data dimensionality. Our error characterizations also apply to any choice of importance weights and unveil a novel tradeoff between worst-case robustness to distribution shift and average accuracy as a function of the importance weight magnitude.
Authors: Florent Bouchard, Ammar Mian, Malik Tiomoko, Guillaume Ginolhac, Fr\'ed\'eric Pascal
Abstract: In this study, we consider the realm of covariance matrices in machine learning, particularly focusing on computing Fr\'echet means on the manifold of symmetric positive definite matrices, commonly referred to as Karcher or geometric means. Such means are leveraged in numerous machine-learning tasks. Relying on advanced statistical tools, we introduce a random matrix theory-based method that estimates Fr\'echet means, which is particularly beneficial when dealing with low sample support and a high number of matrices to average. Our experimental evaluation, involving both synthetic and real-world EEG and hyperspectral datasets, shows that we largely outperform state-of-the-art methods.
Authors: Chester Wringe, Martin Trefzer, Susan Stepney
Abstract: Reservoir Computing is an Unconventional Computation model to perform computation on various different substrates, such as RNNs or physical materials. The method takes a "black-box" approach, training only the outputs of the system it is built on. As such, evaluating the computational capacity of these systems can be challenging. We review and critique the evaluation methods used in the field of Reservoir Computing. We introduce a categorisation of benchmark tasks. We review multiple examples of benchmarks from the literature as applied to reservoir computing, and note their strengths and shortcomings. We suggest ways in which benchmarks and their uses may be improved to the benefit of the reservoir computing community
Authors: Mengxuan Chen, Ziqi Yuan, Jinxiao Zhang, Runmin Dong, Haohuan Fu
Abstract: Operational weather forecasting models have advanced for decades on both the explicit numerical solvers and the empirical physical parameterization schemes. However, the involved high computational costs and uncertainties in these existing schemes are requiring potential improvements through alternative machine learning methods. Previous works use a unified model to learn the dynamics and physics of the atmospheric model. Contrarily, we propose a simple yet effective machine learning model that learns the horizontal movement in the dynamical core and vertical movement in the physical parameterization separately. By replacing the advection with a graph attention network and the convection with a multi-layer perceptron, our model provides a new and efficient perspective to simulate the transition of variables in atmospheric models. We also assess the model's performance over a 5-day iterative forecasting. Under the same input variables and training methods, our model outperforms existing data-driven methods with a significantly-reduced number of parameters with a resolution of 5.625 deg. Overall, this work aims to contribute to the ongoing efforts that leverage machine learning techniques for improving both the accuracy and efficiency of global weather forecasting.
Authors: Alexandros Vasileiou, Oliver Eberle
Abstract: As Transformers have become state-of-the-art models for natural language processing (NLP) tasks, the need to understand and explain their predictions is increasingly apparent. Especially in unsupervised applications, such as information retrieval tasks, similarity models built on top of foundation model representations have been widely applied. However, their inner prediction mechanisms have mostly remained opaque. Recent advances in explainable AI have made it possible to mitigate these limitations by leveraging improved explanations for Transformers through layer-wise relevance propagation (LRP). Using BiLRP, an extension developed for computing second-order explanations in bilinear similarity models, we investigate which feature interactions drive similarity in NLP models. We validate the resulting explanations and demonstrate their utility in three corpus-level use cases, analyzing grammatical interactions, multilingual semantics, and biomedical text retrieval. Our findings contribute to a deeper understanding of different semantic similarity tasks and models, highlighting how novel explainable AI methods enable in-depth analyses and corpus-level insights.
Authors: Qibin Liu, Chase Shimmin, Xiulong Liu, Eli Shlizerman, Shu Li, Shih-Chieh Hsu
Abstract: We introduce a novel machine learning method developed for the fast simulation of calorimeter detector response, adapting vector-quantized variational autoencoder (VQ-VAE). Our model adopts a two-stage generation strategy: initially compressing geometry-aware calorimeter data into a discrete latent space, followed by the application of a sequence model to learn and generate the latent tokens. Extensive experimentation on the Calo-challenge dataset underscores the efficiency of our approach, showcasing a remarkable improvement in the generation speed compared with conventional method by a factor of 2000. Remarkably, our model achieves the generation of calorimeter showers within milliseconds. Furthermore, comprehensive quantitative evaluations across various metrics are performed to validate physics performance of generation.
Authors: Khanh Nguyen, Dimosthenis Karatzas
Abstract: An important handicap of document analysis research is that documents tend to be copyrighted or contain private information, which prohibits their open publication and the creation of centralised, large-scale document datasets. Instead, documents are scattered in private data silos, making extensive training over heterogeneous data a tedious task. In this work, we explore the use of a federated learning (FL) scheme as a way to train a shared model on decentralised private document data. We focus on the problem of Document VQA, a task particularly suited to this approach, as the type of reasoning capabilities required from the model can be quite different in diverse domains. Enabling training over heterogeneous document datasets can thus substantially enrich DocVQA models. We assemble existing DocVQA datasets from diverse domains to reflect the data heterogeneity in real-world applications. We explore the self-pretraining technique in this multi-modal setting, where the same data is used for both pretraining and finetuning, making it relevant for privacy preservation. We further propose combining self-pretraining with a Federated DocVQA training method using centralized adaptive optimization that outperforms the FedAvg baseline. With extensive experiments, we also present a multi-faceted analysis on training DocVQA models with FL, which provides insights for future research on this task. We show that our pretraining strategies can effectively learn and scale up under federated training with diverse DocVQA datasets and tuning hyperparameters is essential for practical document tasks under federation.
Authors: Jinxiong Zhang
Abstract: Based on decision trees, it is efficient to handle tabular data. Conventional decision tree growth methods often result in suboptimal trees because of their greedy nature. Their inherent structure limits the options of hardware to implement decision trees in parallel. Here is a compact representation of binary decision trees to overcome these deficiencies. We explicitly formulate the dependence of prediction on binary tests for binary decision trees and construct a function to guide the input sample from the root to the appropriate leaf node. And based on this formulation we introduce a new interpretation of binary decision trees. Then we approximate this formulation via continuous functions. Finally, we interpret the decision tree as a model combination method. And we propose the selection-prediction scheme to unify a few learning methods.
Authors: Ruijie Jiang, Thuan Nguyen, Prakash Ishwar, Shuchin Aeron
Abstract: Through minimization of an appropriate loss function such as the InfoNCE loss, contrastive learning (CL) learns a useful representation function by pulling positive samples close to each other while pushing negative samples far apart in the embedding space. The positive samples are typically created using "label-preserving" augmentations, i.e., domain-specific transformations of a given datum or anchor. In absence of class information, in unsupervised CL (UCL), the negative samples are typically chosen randomly and independently of the anchor from a preset negative sampling distribution over the entire dataset. This leads to class-collisions in UCL. Supervised CL (SCL), avoids this class collision by conditioning the negative sampling distribution to samples having labels different from that of the anchor. In hard-UCL (H-UCL), which has been shown to be an effective method to further enhance UCL, the negative sampling distribution is conditionally tilted, by means of a hardening function, towards samples that are closer to the anchor. Motivated by this, in this paper we propose hard-SCL (H-SCL) {wherein} the class conditional negative sampling distribution {is tilted} via a hardening function. Our simulation results confirm the utility of H-SCL over SCL with significant performance gains {in downstream classification tasks.} Analytically, we show that {in the} limit of infinite negative samples per anchor and a suitable assumption, the {H-SCL loss} is upper bounded by the {H-UCL loss}, thereby justifying the utility of H-UCL {for controlling} the H-SCL loss in the absence of label information. Through experiments on several datasets, we verify the assumption as well as the claimed inequality between H-UCL and H-SCL losses. We also provide a plausible scenario where H-SCL loss is lower bounded by UCL loss, indicating the limited utility of UCL in controlling the H-SCL loss.
Authors: Jinxiong Zhang
Abstract: We will show how to implement binary decision tree traversal in the language of matrix computation. Our main contribution is to propose some equivalent algorithms of binary tree traversal based on a novel matrix representation of the hierarchical structure of the decision tree. Our key idea is to travel the binary decision tree by maximum inner product search. We not only implement decision tree methods without the recursive traverse but also delve into the partitioning nature of tree-based methods.
Authors: Keller Jordan
Abstract: Typical neural network trainings have substantial variance in test-set performance between repeated runs, impeding hyperparameter comparison and training reproducibility. In this work we present the following results towards understanding this variation. (1) Despite having significant variance on their test-sets, we demonstrate that standard CIFAR-10 and ImageNet trainings have little variance in performance on the underlying test-distributions from which their test-sets are sampled. (2) We show that these trainings make approximately independent errors on their test-sets. That is, the event that a trained network makes an error on one particular example does not affect its chances of making errors on other examples, relative to their average rates over repeated runs of training with the same hyperparameters. (3) We prove that the variance of neural network trainings on their test-sets is a downstream consequence of the class-calibration property discovered by Jiang et al. (2021). Our analysis yields a simple formula which accurately predicts variance for the binary classification case. (4) We conduct preliminary studies of data augmentation, learning rate, finetuning instability and distribution-shift through the lens of variance between runs.
Authors: Siladittya Manna, Soumitri Chattopadhyay, Rakesh Dey, Saumik Bhattacharya, Umapada Pal
Abstract: In contemporary self-supervised contrastive algorithms like SimCLR, MoCo, etc., the task of balancing attraction between two semantically similar samples and repulsion between two samples of different classes is primarily affected by the presence of hard negative samples. While the InfoNCE loss has been shown to impose penalties based on hardness, the temperature hyper-parameter is the key to regulating the penalties and the trade-off between uniformity and tolerance. In this work, we focus our attention on improving the performance of InfoNCE loss in self-supervised learning by proposing a novel cosine similarity dependent temperature scaling function to effectively optimize the distribution of the samples in the feature space. We also provide mathematical analyses to support the construction of such a dynamically scaled temperature function. Experimental evidence shows that the proposed framework outperforms the contrastive loss-based SSL algorithms.
Authors: Cheng Wang
Abstract: Calibrating deep neural models plays an important role in building reliable, robust AI systems in safety-critical applications. Recent work has shown that modern neural networks that possess high predictive capability are poorly calibrated and produce unreliable model predictions. Though deep learning models achieve remarkable performance on various benchmarks, the study of model calibration and reliability is relatively underexplored. Ideal deep models should have not only high predictive performance but also be well calibrated. There have been some recent advances in calibrating deep models. In this survey, we review the state-of-the-art calibration methods and their principles for performing model calibration. First, we start with the definition of model calibration and explain the root causes of model miscalibration. Then we introduce the key metrics that can measure this aspect. It is followed by a summary of calibration methods that we roughly classify into four categories: post-hoc calibration, regularization methods, uncertainty estimation, and composition methods. We also cover recent advancements in calibrating large models, particularly large language models (LLMs). Finally, we discuss some open issues, challenges, and potential directions.
Authors: Mojtaba Valizadeh, Philip John Gorinski, Ignacio Iacobacci, Martin Berger
Abstract: We propose regular expression inference (REI) as a challenge for code/language modelling, and the wider machine learning community. REI is a supervised machine learning (ML) and program optimisation task, and poses the problem of finding minimal regular expressions from examples: Given two finite sets of strings $P$ and $N$ and a cost function $cost(\cdot)$, the task is to generate an expression $r$ that accepts all strings in $P$ and rejects all strings in $N$, while no other such expression $r'$ exists with $cost(r')
Authors: Shinpei Nakamura-Sakai, Fadi Hamad, Saheed Obitayo, Vamsi K. Potluru
Abstract: Synthetic data generation has emerged as a crucial topic for financial institutions, driven by multiple factors, such as privacy protection and data augmentation. Many algorithms have been proposed for synthetic data generation but reaching the consensus on which method we should use for the specific data sets and use cases remains challenging. Moreover, the majority of existing approaches are ``unsupervised'' in the sense that they do not take into account the downstream task. To address these issues, this work presents a novel synthetic data generation framework. The framework integrates a supervised component tailored to the specific downstream task and employs a meta-learning approach to learn the optimal mixture distribution of existing synthetic distributions.
Authors: Mengyue Yang, Zhen Fang, Yonggang Zhang, Yali Du, Furui Liu, Jean-Francois Ton, Jianhong Wang, Jun Wang
Abstract: Out-of-distribution (OOD) generalization is indispensable for learning models in the wild, where testing distribution typically unknown and different from the training. Recent methods derived from causality have shown great potential in achieving OOD generalization. However, existing methods mainly focus on the invariance property of causes, while largely overlooking the property of \textit{sufficiency} and \textit{necessity} conditions. Namely, a necessary but insufficient cause (feature) is invariant to distribution shift, yet it may not have required accuracy. By contrast, a sufficient yet unnecessary cause (feature) tends to fit specific data well but may have a risk of adapting to a new domain. To capture the information of sufficient and necessary causes, we employ a classical concept, the probability of sufficiency and necessary causes (PNS), which indicates the probability of whether one is the necessary and sufficient cause. To associate PNS with OOD generalization, we propose PNS risk and formulate an algorithm to learn representation with a high PNS value. We theoretically analyze and prove the generalizability of the PNS risk. Experiments on both synthetic and real-world benchmarks demonstrate the effectiveness of the proposed method. The details of the implementation can be found at the GitHub repository: https://github.com/ymy4323460/CaSN.
Authors: Florence Regol, Joud Chataoui, Mark Coates
Abstract: Large pretrained models, coupled with fine-tuning, are slowly becoming established as the dominant architecture in machine learning. Even though these models offer impressive performance, their practical application is often limited by the prohibitive amount of resources required for every inference. Early-exiting dynamic neural networks (EDNN) circumvent this issue by allowing a model to make some of its predictions from intermediate layers (i.e., early-exit). Training an EDNN architecture is challenging as it consists of two intertwined components: the gating mechanism (GM) that controls early-exiting decisions and the intermediate inference modules (IMs) that perform inference from intermediate representations. As a result, most existing approaches rely on thresholding confidence metrics for the gating mechanism and strive to improve the underlying backbone network and the inference modules. Although successful, this approach has two fundamental shortcomings: 1) the GMs and the IMs are decoupled during training, leading to a train-test mismatch; and 2) the thresholding gating mechanism introduces a positive bias into the predictive probabilities, making it difficult to readily extract uncertainty information. We propose a novel architecture that connects these two modules. This leads to significant performance improvements on classification datasets and enables better uncertainty characterization capabilities.
Authors: Shaoxiong Duan, Yining Shi, Wei Xu
Abstract: In this paper, we investigate the inherent capabilities of transformer models in learning arithmetic algorithms, such as addition and parity. Through experiments and attention analysis, we identify a number of crucial factors for achieving optimal length generalization. We show that transformer models are able to generalize to long lengths with the help of targeted attention biasing. In particular, our solution solves the Parity task, a well-known and theoretically proven failure mode for Transformers. We then introduce Attention Bias Calibration (ABC), a calibration stage that enables the model to automatically learn the proper attention biases, which we show to be connected to mechanisms in relative position encoding. We demonstrate that using ABC, the transformer model can achieve unprecedented near-perfect length generalization on certain arithmetic tasks. In addition, we show that ABC bears remarkable similarities to RPE and LoRA, which may indicate the potential for applications to more complex tasks.
Authors: Atharva Sehgal, Arya Grayeli, Jennifer J. Sun, Swarat Chaudhuri
Abstract: We introduce Cosmos, a framework for object-centric world modeling that is designed for compositional generalization (CompGen), i.e., high performance on unseen input scenes obtained through the composition of known visual "atoms." The central insight behind Cosmos is the use of a novel form of neurosymbolic grounding. Specifically, the framework introduces two new tools: (i) neurosymbolic scene encodings, which represent each entity in a scene using a real vector computed using a neural encoder, as well as a vector of composable symbols describing attributes of the entity, and (ii) a neurosymbolic attention mechanism that binds these entities to learned rules of interaction. Cosmos is end-to-end differentiable; also, unlike traditional neurosymbolic methods that require representations to be manually mapped to symbols, it computes an entity's symbolic attributes using vision-language foundation models. Through an evaluation that considers two different forms of CompGen on an established blocks-pushing domain, we show that the framework establishes a new state-of-the-art for CompGen in world modeling. Artifacts are available at: https://trishullab.github.io/cosmos-web/
Authors: Jingpu Yang, Helin Wang, Qirui Zhao, Zhecheng Shi, Zirui Song, Miao Fang
Abstract: Reinforcement Learning (RL), recognized as an efficient learning approach, has achieved remarkable success across multiple fields and applications, including gaming, robotics, and autonomous vehicles. Classical single-agent reinforcement learning grapples with the imbalance of exploration and exploitation as well as limited generalization abilities. This methodology frequently leads to algorithms settling for suboptimal solutions that are tailored only to specific datasets. In this work, our aim is to train agent with efficient learning by decoupling exploration and utilization, so that agent can escaping the conundrum of suboptimal Solutions. In reinforcement learning, the previously imposed pessimistic punitive measures have deprived the model of its exploratory potential, resulting in diminished exploration capabilities. To address this, we have introduced an additional optimistic Actor to enhance the model's exploration ability, while employing a more constrained pessimistic Actor for performance evaluation. The above idea is implemented in the proposed OPARL (Optimistic and Pessimistic Actor Reinforcement Learning) algorithm. This unique amalgamation within the reinforcement learning paradigm fosters a more balanced and efficient approach. It facilitates the optimization of policies that concentrate on high-reward actions via pessimistic exploitation strategies while concurrently ensuring extensive state coverage through optimistic exploration. Empirical and theoretical investigations demonstrate that OPARL enhances agent capabilities in both utilization and exploration. In the most tasks of DMControl benchmark and Mujoco environment, OPARL performed better than state-of-the-art methods. Our code has released on https://github.com/yydsok/OPARL
Authors: Jakub Bia{\l}ek, Wojtek Kuberski, Nikolaos Perrakis, Albert Bifet
Abstract: Machine learning models often experience performance degradation post-deployment due to shifts in data distribution. It is challenging to assess post-deployment performance accurately when labels are missing or delayed. Existing proxy methods, such as drift detection, fail to measure the effects of these shifts adequately. To address this, we introduce a new method for evaluating classification models on unlabeled data that accurately quantifies the impact of covariate shift on model performance and call it Probabilistic Adaptive Performance Estimation (PAPE). It is model and data-type agnostic and works for any performance metric. Crucially, PAPE operates independently of the original model, relying only on its predictions and probability estimates, and does not need any assumptions about the nature of the shift, learning directly from data instead. We tested PAPE using over 900 dataset-model combinations from US census data, assessing its performance against several benchmarks through various metrics. Our findings show that PAPE outperforms other methodologies, making it a superior choice for estimating the performance of classification models.
Authors: Diwas Paudel, Tapas K. Das
Abstract: Players in pricing games with complex structures are increasingly adopting artificial intelligence (AI) aided learning algorithms to make pricing decisions for maximizing profits. This is raising concern for the antitrust agencies as the practice of using AI may promote tacit algorithmic collusion among otherwise independent players. Recent studies of games in canonical forms have shown contrasting claims ranging from none to a high level of tacit collusion among AI-guided players. In this paper, we examine the concern for tacit collusion by considering a practical game where EV charging hubs compete by dynamically varying their prices. Such a game is likely to be commonplace in the near future as EV adoption grows in all sectors of transportation. The hubs source power from the day-ahead (DA) and real-time (RT) electricity markets as well as from in-house battery storage systems. Their goal is to maximize profits via pricing and efficiently managing the cost of power usage. To aid our examination, we develop a two-step data-driven methodology. The first step obtains the DA commitment by solving a stochastic model. The second step generates the pricing strategies by solving a competitive Markov decision process model using a multi-agent deep reinforcement learning (MADRL) framework. We evaluate the resulting pricing strategies using an index for the level of tacit algorithmic collusion. An index value of zero indicates no collusion (perfect competition) and one indicates full collusion (monopolistic behavior). Results from our numerical case study yield collusion index values between 0.14 and 0.45, suggesting a low to moderate level of collusion.
Authors: Sergio Calvo-Ordonez, Matthieu Meunier, Francesco Piatti, Yuantao Shi
Abstract: In this paper, we present Partially Stochastic Infinitely Deep Bayesian Neural Networks, a novel family of architectures that integrates partial stochasticity into the framework of infinitely deep neural networks. Our new class of architectures is designed to improve the limitations of existing architectures around computational efficiency at training and inference time. To do this, we leverage the advantages of partial stochasticity in the infinite-depth limit which include the benefits of full stochasticity e.g. robustness, uncertainty quantification, and memory efficiency, whilst improving their limitations around computational complexity. We present a variety of architectural configurations, offering flexibility in network design including different methods for weight partition. We also provide mathematical guarantees on the expressivity of our models by establishing that our network family qualifies as Universal Conditional Distribution Approximators. Lastly, empirical evaluations across multiple tasks show that our proposed architectures achieve better downstream task performance and uncertainty quantification than their counterparts while being significantly more efficient.
Authors: Ruijie Zheng, Ching-An Cheng, Hal Daum\'e III, Furong Huang, Andrey Kolobov
Abstract: Temporal action abstractions, along with belief state representations, are a powerful knowledge sharing mechanism for sequential decision making. In this work, we propose a novel view that treats inducing temporal action abstractions as a sequence compression problem. To do so, we bring a subtle but critical component of LLM training pipelines -- input tokenization via byte pair encoding (BPE) -- to the seemingly distant task of learning skills of variable time span in continuous control domains. We introduce an approach called Primitive Sequence Encoding (PRISE) that combines continuous action quantization with BPE to learn powerful action abstractions. We empirically show that high-level skills discovered by PRISE from a multitask set of robotic manipulation demonstrations significantly boost the performance of both multitask imitation learning as well as few-shot imitation learning on unseen tasks. Our code will be released at https://github.com/FrankZheng2022/PRISE.
Authors: Alessandro G. Bottero, Carlos E. Luis, Julia Vinogradska, Felix Berkenkamp, Jan Peters
Abstract: We consider a sequential decision making task, where the goal is to optimize an unknown function without evaluating parameters that violate an a~priori unknown (safety) constraint. A common approach is to place a Gaussian process prior on the unknown functions and allow evaluations only in regions that are safe with high probability. Most current methods rely on a discretization of the domain and cannot be directly extended to the continuous case. Moreover, the way in which they exploit regularity assumptions about the constraint introduces an additional critical hyperparameter. In this paper, we propose an information-theoretic safe exploration criterion that directly exploits the GP posterior to identify the most informative safe parameters to evaluate. The combination of this exploration criterion with a well known Bayesian optimization acquisition function yields a novel safe Bayesian optimization selection criterion. Our approach is naturally applicable to continuous domains and does not require additional explicit hyperparameters. We theoretically analyze the method and show that we do not violate the safety constraint with high probability and that we learn about the value of the safe optimum up to arbitrary precision. Empirical evaluations demonstrate improved data-efficiency and scalability.
Authors: Kaiyue Wen, Xingyu Dang, Kaifeng Lyu
Abstract: This paper investigates the gap in representation powers of Recurrent Neural Networks (RNNs) and Transformers in the context of solving algorithmic problems. We focus on understanding whether RNNs, known for their memory efficiency in handling long sequences, can match the performance of Transformers, particularly when enhanced with Chain-of-Thought (CoT) prompting. Our theoretical analysis reveals that CoT improves RNNs but is insufficient to close the gap with Transformers. A key bottleneck lies in the inability of RNNs to perfectly retrieve information from the context, even with CoT: for several tasks that explicitly or implicitly require this capability, such as associative recall and determining if a graph is a tree, we prove that RNNs are not expressive enough to solve the tasks while Transformers can solve them with ease. Conversely, we prove that adopting techniques to enhance the in-context retrieval capability of RNNs, including Retrieval-Augmented Generation (RAG) and adding a single Transformer layer, can elevate RNNs to be capable of solving all polynomial-time solvable problems with CoT, hence closing the representation gap with Transformers.
Authors: Gyudong Kim, Mehdi Ghasemi, Soroush Heidari, Seungryong Kim, Young Geun Kim, Sarma Vrudhula, Carole-Jean Wu
Abstract: Federated Learning (FL) is a practical approach to train deep learning models collaboratively across user-end devices, protecting user privacy by retaining raw data on-device. In FL, participating user-end devices are highly fragmented in terms of hardware and software configurations. Such fragmentation introduces a new type of data heterogeneity in FL, namely \textit{system-induced data heterogeneity}, as each device generates distinct data depending on its hardware and software configurations. In this paper, we first characterize the impact of system-induced data heterogeneity on FL model performance. We collect a dataset using heterogeneous devices with variations across vendors and performance tiers. By using this dataset, we demonstrate that \textit{system-induced data heterogeneity} negatively impacts accuracy, and deteriorates fairness and domain generalization problems in FL. To address these challenges, we propose HeteroSwitch, which adaptively adopts generalization techniques (i.e., ISP transformation and SWAD) depending on the level of bias caused by varying HW and SW configurations. In our evaluation with a realistic FL dataset (FLAIR), HeteroSwitch reduces the variance of averaged precision by 6.3\% across device types.
Authors: Gregory W. Kyro, Matthew T. Martin, Eric D. Watt, Victor S. Batista
Abstract: The link between in vitro hERG ion channel inhibition and subsequent in vivo QT interval prolongation, a critical risk factor for the development of arrythmias such as Torsade de Pointes, is so well established that in vitro hERG activity alone is often sufficient to end the development of an otherwise promising drug candidate. It is therefore of tremendous interest to develop advanced methods for identifying hERG-active compounds in the early stages of drug development, as well as for proposing redesigned compounds with reduced hERG liability and preserved on-target potency. In this work, we present CardioGenAI, a machine learning-based framework for re-engineering both developmental and commercially available drugs for reduced hERG activity while preserving their pharmacological activity. The framework incorporates novel state-of-the-art discriminative models for predicting hERG channel activity, as well as activity against the voltage-gated NaV1.5 and CaV1.2 channels due to their potential implications in modulating the arrhythmogenic potential induced by hERG channel blockade. We applied the complete framework to pimozide, an FDA-approved antipsychotic agent that demonstrates high affinity to the hERG channel, and generated 100 refined candidates. Remarkably, among the candidates is fluspirilene, a compound which is of the same class of drugs (diphenylmethanes) as pimozide and therefore has similar pharmacological activity, yet exhibits over 700-fold weaker binding to hERG. We envision that this method can effectively be applied to developmental compounds exhibiting hERG liabilities to provide a means of rescuing drug development programs that have stalled due to hERG-related safety concerns. Additionally, the discriminative models can also serve independently as effective components of a virtual screening pipeline. We have made all of our software open-source.
Authors: Bhrij Patel, Wesley A. Suttle, Alec Koppel, Vaneet Aggarwal, Brian M. Sadler, Amrit Singh Bedi, Dinesh Manocha
Abstract: In the context of average-reward reinforcement learning, the requirement for oracle knowledge of the mixing time, a measure of the duration a Markov chain under a fixed policy needs to achieve its stationary distribution-poses a significant challenge for the global convergence of policy gradient methods. This requirement is particularly problematic due to the difficulty and expense of estimating mixing time in environments with large state spaces, leading to the necessity of impractically long trajectories for effective gradient estimation in practical applications. To address this limitation, we consider the Multi-level Actor-Critic (MAC) framework, which incorporates a Multi-level Monte Carlo (MLMC) gradient estimator. With our approach, we effectively alleviate the dependency on mixing time knowledge, a first for average-reward MDPs global convergence. Furthermore, our approach exhibits the tightest-available dependence of $\mathcal{O}\left( \sqrt{\tau_{mix}} \right)$ relative to prior work. With a 2D gridworld goal-reaching navigation experiment, we demonstrate that MAC achieves higher reward than a previous PG-based method for average reward, Parameterized Policy Gradient with Advantage Estimation (PPGAE), especially in cases with relatively small training sample budget restricting trajectory length.
Authors: Allison Chen, Ilia Sucholutsky, Olga Russakovsky, Thomas L. Griffiths
Abstract: Does language help make sense of the visual world? How important is it to actually see the world rather than having it described with words? These basic questions about the nature of intelligence have been difficult to answer because we only had one example of an intelligent system -- humans -- and limited access to cases that isolated language or vision. However, the development of sophisticated Vision-Language Models (VLMs) by artificial intelligence researchers offers us new opportunities to explore the contributions that language and vision make to learning about the world. We ablate components from the cognitive architecture of these models to identify their contributions to learning new tasks from limited data. We find that a language model leveraging all components recovers a majority of a VLM's performance, despite its lack of visual input, and that language seems to allow this by providing access to prior knowledge and reasoning.
Authors: Amin Aminifar, Baichuan Huang, Azra Abtahi, Amir Aminifar
Abstract: The human brain performs tasks with an outstanding energy-efficiency, i.e., with approximately 20 Watts. The state-of-the-art Artificial/Deep Neural Networks (ANN/DNN), on the other hand, have recently been shown to consume massive amounts of energy. The training of these ANNs/DNNs is done almost exclusively based on the back-propagation algorithm, which is known to be biologically implausible. This has led to a new generation of forward-only techniques, including the Forward-Forward algorithm. In this paper, we propose a lightweight inference scheme specifically designed for DNNs trained using the Forward-Forward algorithm. We have evaluated our proposed lightweight inference scheme in the case of the MNIST and CIFAR datasets, as well as two real-world applications, namely, epileptic seizure detection and cardiac arrhythmia classification using wearable technologies, where complexity overheads/energy consumption is a major constraint, and demonstrate its relevance.
Authors: Cai Xu, Yilin Zhang, Ziyu Guan, Wei Zhao
Abstract: Multi-view learning methods often focus on improving decision accuracy while neglecting the decision uncertainty, which significantly restricts their applications in safety-critical applications. To address this issue, researchers propose trusted multi-view methods that learn the class distribution for each instance, enabling the estimation of classification probabilities and uncertainty. However, these methods heavily rely on high-quality ground-truth labels. This motivates us to delve into a new generalized trusted multi-view learning problem: how to develop a reliable multi-view learning model under the guidance of noisy labels? We propose a trusted multi-view noise refining method to solve this problem. We first construct view-opinions using evidential deep neural networks, which consist of belief mass vectors and uncertainty estimates. Subsequently, we design view-specific noise correlation matrices that transform the original opinions into noisy opinions aligned with the noisy labels. Considering label noises originating from low-quality data features and easily-confused classes, we ensure that the diagonal elements of these matrices are inversely proportional to the uncertainty, while incorporating class relations into the off-diagonal elements. Finally, we aggregate the noisy opinions and employ a generalized maximum likelihood loss on the aggregated opinion for model training, guided by the noisy labels. We empirically compare TMNR with state-of-the-art trusted multi-view learning and label noise learning baselines on 5 publicly available datasets. Experiment results show that TMNR outperforms baseline methods on accuracy, reliability and robustness. The code and appendix are released at https://github.com/YilinZhang107/TMNR.
Authors: Shibo Li, Hengliang Cheng, Weihua Li
Abstract: The widespread application of Electronic Health Records (EHR) data in the medical field has led to early successes in disease risk prediction using deep learning methods. These methods typically require extensive data for training due to their large parameter sets. However, existing works do not exploit the full potential of EHR data. A significant challenge arises from the infrequent occurrence of many medical codes within EHR data, limiting their clinical applicability. Current research often lacks in critical areas: 1) incorporating disease domain knowledge; 2) heterogeneously learning disease representations with rich meanings; 3) capturing the temporal dynamics of disease progression. To overcome these limitations, we introduce a novel heterogeneous graph learning model designed to assimilate disease domain knowledge and elucidate the intricate relationships between drugs and diseases. This model innovatively incorporates temporal data into visit-level embeddings and leverages a time-aware transformer alongside an adaptive attention mechanism to produce patient representations. When evaluated on two healthcare datasets, our approach demonstrated notable enhancements in both prediction accuracy and interpretability over existing methodologies, signifying a substantial advancement towards personalized and proactive healthcare management.
Authors: Yangchen Pan, Junfeng Wen, Chenjun Xiao, Philip Torr
Abstract: In traditional statistical learning, data points are usually assumed to be independently and identically distributed (i.i.d.) following an unknown probability distribution. This paper presents a contrasting viewpoint, perceiving data points as interconnected and employing a Markov reward process (MRP) for data modeling. We reformulate the typical supervised learning as an on-policy policy evaluation problem within reinforcement learning (RL), introducing a generalized temporal difference (TD) learning algorithm as a resolution. Theoretically, our analysis draws connections between the solutions of linear TD learning and ordinary least squares (OLS). We also show that under specific conditions, particularly when noises are correlated, the TD's solution proves to be a more effective estimator than OLS. Furthermore, we establish the convergence of our generalized TD algorithms under linear function approximation. Empirical studies verify our theoretical results, examine the vital design of our TD algorithm and show practical utility across various datasets, encompassing tasks such as regression and image classification with deep learning.
Authors: Alberto Caron, Chris Hicks, Vasilios Mavroudis
Abstract: We study the problem of efficiently detecting Out-of-Distribution (OOD) samples at test time in supervised and unsupervised learning contexts. While ML models are typically trained under the assumption that training and test data stem from the same distribution, this is often not the case in realistic settings, thus reliably detecting distribution shifts is crucial at deployment. We re-formulate the OOD problem under the lenses of statistical testing and then discuss conditions that render the OOD problem identifiable in statistical terms. Building on this framework, we study convergence guarantees of an OOD test based on the Wasserstein distance, and provide a simple empirical evaluation.
Authors: Ziliang Xiong, Simon Kristoffersson Lind, Per-Erik Forss\'en, Volker Kr\"uger
Abstract: When deploying deep neural networks on robots or other physical systems, the learned model should reliably quantify predictive uncertainty. A reliable uncertainty allows downstream modules to reason about the safety of its actions. In this work, we address metrics for evaluating such an uncertainty. Specifically, we focus on regression tasks, and investigate Area Under Sparsification Error (AUSE), Calibration Error, Spearman's Rank Correlation, and Negative Log-Likelihood (NLL). Using synthetic regression datasets, we look into how those metrics behave under four typical types of uncertainty, their stability regarding the size of the test set, and reveal their strengths and weaknesses. Our results indicate that Calibration Error is the most stable and interpretable metric, but AUSE and NLL also have their respective use cases. We discourage the usage of Spearman's Rank Correlation for evaluating uncertainties and recommend replacing it with AUSE.
Authors: Matt Schoenbauer, Daniele Moro, Lukasz Lew, Andrew Howard
Abstract: Quantization-aware training comes with a fundamental challenge: the derivative of quantization functions such as rounding are zero almost everywhere and nonexistent elsewhere. Various differentiable approximations of quantization functions have been proposed to address this issue. In this paper, we prove that when the learning rate is sufficiently small, a large class of weight gradient estimators is equivalent with the straight through estimator (STE). Specifically, after swapping in the STE and adjusting both the weight initialization and the learning rate in SGD, the model will train in almost exactly the same way as it did with the original gradient estimator. Moreover, we show that for adaptive learning rate algorithms like Adam, the same result can be seen without any modifications to the weight initialization and learning rate. We experimentally show that these results hold for both a small convolutional model trained on the MNIST dataset and for a ResNet50 model trained on ImageNet.
Authors: Shi Yin, Xinyang Pan, Fengyan Wang, Feng Wu, Lixin He
Abstract: We present both a theoretical and a methodological framework that addresses a critical challenge in applying deep learning to physical systems: the reconciliation of non-linear expressiveness with SO(3)-equivariance in predictions of SO(3)-equivariant quantities, such as the electronic-structure Hamiltonian. Inspired by covariant theory in physics, we address this problem by exploring the mathematical relationships between SO(3)-invariant and SO(3)-equivariant quantities and their representations. We first construct theoretical SO(3)-invariant quantities derived from the SO(3)-equivariant regression targets, and use these invariant quantities as supervisory labels to guide the learning of high-quality SO(3)-invariant features. Given that SO(3)-invariance is preserved under non-linear operations, the encoding process for invariant features can extensively utilize non-linear mappings, thereby fully capturing the non-linear patterns inherent in physical systems. Building on this foundation, we propose a gradient-based mechanism to induce SO(3)-equivariant encodings of various degrees from the learned SO(3)-invariant features. This mechanism can incorporate non-linear expressive capabilities into SO(3)-equivariant representations, while theoretically preserving their equivariant properties as we prove. Our approach offers a promising general solution to the critical dilemma between equivariance and non-linear expressiveness in deep learning methodologies. We apply our theory and method to the electronic-structure Hamiltonian prediction tasks, demonstrating state-of-the-art performance across six benchmark databases.
Authors: Willow Mandil, Kiyanoush Nazari, Amir Ghalamzan E
Abstract: Tactile predictive models can be useful across several robotic manipulation tasks, e.g. robotic pushing, robotic grasping, slip avoidance, and in-hand manipulation. However, available tactile prediction models are mostly studied for image-based tactile sensors and there is no comparison study indicating the best performing models. In this paper, we presented two novel data-driven action-conditioned models for predicting tactile signals during real-world physical robot interaction tasks (1) action condition tactile prediction and (2) action conditioned tactile-video prediction models. We use a magnetic-based tactile sensor that is challenging to analyse and test state-of-the-art predictive models and the only existing bespoke tactile prediction model. We compare the performance of these models with those of our proposed models. We perform the comparison study using our novel tactile-enabled dataset containing 51,000 tactile frames of a real-world robotic manipulation task with 11 flat-surfaced household objects. Our experimental results demonstrate the superiority of our proposed tactile prediction models in terms of qualitative, quantitative and slip prediction scores.
Authors: Kei Suzuki, Chihiro Tsutake, Keita Takahashi, Toshiaki Fujii
Abstract: Compressing the sign information of discrete cosine transform (DCT) coefficients is an intractable problem in image coding schemes due to the equiprobable characteristics of the signs. To overcome this difficulty, we propose an efficient compression method for the sign information called "sign retrieval." This method is inspired by phase retrieval, which is a classical signal restoration problem of finding the phase information of discrete Fourier transform coefficients from their magnitudes. The sign information of all DCT coefficients is excluded from a bitstream at the encoder and is complemented at the decoder through our sign retrieval method. We show through experiments that our method outperforms previous ones in terms of the bit amount for the signs and computation cost. Our method, implemented in Python language, is available from https://github.com/ctsutake/dsr.
Authors: Neil Dey, Jonathan P. Williams
Abstract: The parameters of a machine learning model are typically learned by minimizing a loss function on a set of training data. However, this can come with the risk of overtraining; in order for the model to generalize well, it is of great importance that we are able to find the optimal parameter for the model on the entire population -- not only on the given training sample. In this paper, we construct valid confidence sets for this optimal parameter of a machine learning model, which can be generated using only the training data without any knowledge of the population. We then show that studying the distribution of this confidence set allows us to assign a notion of confidence to arbitrary regions of the parameter space, and we demonstrate that this distribution can be well-approximated using bootstrapping techniques.
Authors: Yiling Xie, Xiaoming Huo
Abstract: We propose an adjusted Wasserstein distributionally robust estimator -- based on a nonlinear transformation of the Wasserstein distributionally robust (WDRO) estimator in statistical learning. The classic WDRO estimator is asymptotically biased, while our adjusted WDRO estimator is asymptotically unbiased, resulting in a smaller asymptotic mean squared error. Further, under certain conditions, our proposed adjustment technique provides a general principle to de-bias asymptotically biased estimators. Specifically, we will investigate how the adjusted WDRO estimator is developed in the generalized linear model, including logistic regression, linear regression, and Poisson regression. Numerical experiments demonstrate the favorable practical performance of the adjusted estimator over the classic one.
Authors: Matthew J Penn, Neil Scheidwasser, Mark P Khurana, David A Duch\^ene, Christl A Donnelly, Samir Bhatt
Abstract: Binary phylogenetic trees inferred from biological data are central to understanding the shared history among evolutionary units. However, inferring the placement of latent nodes in a tree is NP-hard and thus computationally expensive. State-of-the-art methods rely on carefully designed heuristics for tree search. These methods use different data structures for easy manipulation (e.g., classes in object-oriented programming languages) and readable representation of trees (e.g., Newick-format strings). Here, we present Phylo2Vec, a parsimonious encoding for phylogenetic trees that serves as a unified approach for both manipulating and representing phylogenetic trees. Phylo2Vec maps any binary tree with $n$ leaves to a unique integer vector of length $n-1$. The advantages of Phylo2Vec are fourfold: i) fast tree sampling, (ii) compressed tree representation compared to a Newick string, iii) quick and unambiguous verification if two binary trees are identical topologically, and iv) systematic ability to traverse tree space in very large or small jumps. As a proof of concept, we use Phylo2Vec for maximum likelihood inference on five real-world datasets and show that a simple hill-climbing-based optimisation scheme can efficiently traverse the vastness of tree space from a random to an optimal tree.
Authors: Yingqian Cui, Jie Ren, Han Xu, Pengfei He, Hui Liu, Lichao Sun, Yue Xing, Jiliang Tang
Abstract: Recently, Generative Diffusion Models (GDMs) have showcased their remarkable capabilities in learning and generating images. A large community of GDMs has naturally emerged, further promoting the diversified applications of GDMs in various fields. However, this unrestricted proliferation has raised serious concerns about copyright protection. For example, artists including painters and photographers are becoming increasingly concerned that GDMs could effortlessly replicate their unique creative works without authorization. In response to these challenges, we introduce a novel watermarking scheme, DiffusionShield, tailored for GDMs. DiffusionShield protects images from copyright infringement by GDMs through encoding the ownership information into an imperceptible watermark and injecting it into the images. Its watermark can be easily learned by GDMs and will be reproduced in their generated images. By detecting the watermark from generated images, copyright infringement can be exposed with evidence. Benefiting from the uniformity of the watermarks and the joint optimization method, DiffusionShield ensures low distortion of the original image, high watermark detection performance, and the ability to embed lengthy messages. We conduct rigorous and comprehensive experiments to show the effectiveness of DiffusionShield in defending against infringement by GDMs and its superiority over traditional watermarking methods. The code for DiffusionShield is accessible in https://github.com/Yingqiancui/DiffusionShield.
Authors: Likun Zhang, Xiaoyu Ma, Christopher K. Wikle, Rapha\"el Huser
Abstract: Many real-world processes have complex tail dependence structures that cannot be characterized using classical Gaussian processes. More flexible spatial extremes models exhibit appealing extremal dependence properties but are often exceedingly prohibitive to fit and simulate from in high dimensions. In this paper, we aim to push the boundaries on computation and modeling of high-dimensional spatial extremes via integrating a new spatial extremes model that has flexible and non-stationary dependence properties in the encoding-decoding structure of a variational autoencoder called the XVAE. The XVAE can emulate spatial observations and produce outputs that have the same statistical properties as the inputs, especially in the tail. Our approach also provides a novel way of making fast inference with complex extreme-value processes. Through extensive simulation studies, we show that our XVAE is substantially more time-efficient than traditional Bayesian inference while outperforming many spatial extremes models with a stationary dependence structure. Lastly, we analyze a high-resolution satellite-derived dataset of sea surface temperature in the Red Sea, which includes 30 years of daily measurements at 16703 grid cells. We demonstrate how to use XVAE to identify regions susceptible to marine heatwaves under climate change and examine the spatial and temporal variability of the extremal dependence structure.
Authors: Qihua Dong, Hao Du, Ying Song, Yan Xu, Jing Liao
Abstract: Medical image registration is a critical task that estimates the spatial correspondence between pairs of images. However, current traditional and deep-learning-based methods rely on similarity measures to generate a deforming field, which often results in disproportionate volume changes in dissimilar regions, especially in tumor regions. These changes can significantly alter the tumor size and underlying anatomy, which limits the practical use of image registration in clinical diagnosis. To address this issue, we have formulated image registration with tumors as a constraint problem that preserves tumor volumes while maximizing image similarity in other normal regions. Our proposed strategy involves a two-stage process. In the first stage, we use similarity-based registration to identify potential tumor regions by their volume change, generating a soft tumor mask accordingly. In the second stage, we propose a volume-preserving registration with a novel adaptive volume-preserving loss that penalizes the change in size adaptively based on the masks calculated from the previous stage. Our approach balances image similarity and volume preservation in different regions, i.e., normal and tumor regions, by using soft tumor masks to adjust the imposition of volume-preserving loss on each one. This ensures that the tumor volume is preserved during the registration process. We have evaluated our strategy on various datasets and network architectures, demonstrating that our method successfully preserves the tumor volume while achieving comparable registration results with state-of-the-art methods. Our codes is available at: \url{https://dddraxxx.github.io/Volume-Preserving-Registration/}.
URLs: https://dddraxxx.github.io/Volume-Preserving-Registration/
Authors: Andreas Madsen, Siva Reddy, Sarath Chandar
Abstract: A common approach to explaining NLP models is to use importance measures that express which tokens are important for a prediction. Unfortunately, such explanations are often wrong despite being persuasive. Therefore, it is essential to measure their faithfulness. One such metric is if tokens are truly important, then masking them should result in worse model performance. However, token masking introduces out-of-distribution issues, and existing solutions that address this are computationally expensive and employ proxy models. Furthermore, other metrics are very limited in scope. This work proposes an inherently faithfulness measurable model that addresses these challenges. This is achieved using a novel fine-tuning method that incorporates masking, such that masking tokens become in-distribution by design. This differs from existing approaches, which are completely model-agnostic but are inapplicable in practice. We demonstrate the generality of our approach by applying it to 16 different datasets and validate it using statistical in-distribution tests. The faithfulness is then measured with 9 different importance measures. Because masking is in-distribution, importance measures that themselves use masking become consistently more faithful. Additionally, because the model makes faithfulness cheap to measure, we can optimize explanations towards maximal faithfulness; thus, our model becomes indirectly inherently explainable.
Authors: Natal\'i S. M. de Santi, Francisco Villaescusa-Navarro, L. Raul Abramo, Helen Shao, Lucia A. Perez, Tiago Castro, Yueying Ni, Christopher C. Lovell, Elena Hernandez-Martinez, Federico Marinacci, David N. Spergel, Klaus Dolag, Lars Hernquist, Mark Vogelsberger
Abstract: It has been recently shown that a powerful way to constrain cosmological parameters from galaxy redshift surveys is to train graph neural networks to perform field-level likelihood-free inference without imposing cuts on scale. In particular, de Santi et al. (2023) developed models that could accurately infer the value of $\Omega_{\rm m}$ from catalogs that only contain the positions and radial velocities of galaxies that are robust to uncertainties in astrophysics and subgrid models. However, observations are affected by many effects, including 1) masking, 2) uncertainties in peculiar velocities and radial distances, and 3) different galaxy selections. Moreover, observations only allow us to measure redshift, intertwining galaxies' radial positions and velocities. In this paper we train and test our models on galaxy catalogs, created from thousands of state-of-the-art hydrodynamic simulations run with different codes from the CAMELS project, that incorporate these observational effects. We find that, although the presence of these effects degrades the precision and accuracy of the models, and increases the fraction of catalogs where the model breaks down, the fraction of galaxy catalogs where the model performs well is over 90 %, demonstrating the potential of these models to constrain cosmological parameters even when applied to real data.
Authors: Florent Bouchard, Alexandre Renaux, Guillaume Ginolhac, Arnaud Breloy
Abstract: This paper presents a new performance bound for estimation problems where the parameter to estimate lies in a Riemannian manifold (a smooth manifold endowed with a Riemannian metric) and follows a given prior distribution. In this setup, the chosen Riemannian metric induces a geometry for the parameter manifold, as well as an intrinsic notion of the estimation error measure. Performance bound for such error measure were previously obtained in the non-Bayesian case (when the unknown parameter is assumed to deterministic), and referred to as \textit{intrinsic} Cram\'er-Rao bound. The presented result then appears either as: \textit{a}) an extension of the intrinsic Cram\'er-Rao bound to the Bayesian estimation framework; \textit{b}) a generalization of the Van-Trees inequality (Bayesian Cram\'er-Rao bound) that accounts for the aforementioned geometric structures. In a second part, we leverage this formalism to study the problem of covariance matrix estimation when the data follow a Gaussian distribution, and whose covariance matrix is drawn from an inverse Wishart distribution. Performance bounds for this problem are obtained for both the mean squared error (Euclidean metric) and the natural Riemannian distance for Hermitian positive definite matrices (affine invariant metric). Numerical simulation illustrate that assessing the error with the affine invariant metric is revealing of interesting properties of the maximum a posteriori and minimum mean square error estimator, which are not observed when using the Euclidean metric.
Authors: Zeyu Tang, Jialu Wang, Yang Liu, Peter Spirtes, Kun Zhang
Abstract: We reveal and address the frequently overlooked yet important issue of disguised procedural unfairness, namely, the potentially inadvertent alterations on the behavior of neutral (i.e., not problematic) aspects of data generating process, and/or the lack of procedural assurance of the greatest benefit of the least advantaged individuals. Inspired by John Rawls's advocacy for pure procedural justice, we view automated decision-making as a microcosm of social institutions, and consider how the data generating process itself can satisfy the requirements of procedural fairness. We propose a framework that decouples the objectionable data generating components from the neutral ones by utilizing reference points and the associated value instantiation rule. Our findings highlight the necessity of preventing disguised procedural unfairness, drawing attention not only to the objectionable data generating components that we aim to mitigate, but also more importantly, to the neutral components that we intend to keep unaffected.
Authors: Yuyang Wang, Ahmed A. Elhag, Navdeep Jaitly, Joshua M. Susskind, Miguel Angel Bautista
Abstract: We present a novel way to predict molecular conformers through a simple formulation that sidesteps many of the heuristics of prior works and achieves state of the art results by using the advantages of scale. By training a diffusion generative model directly on 3D atomic positions without making assumptions about the explicit structure of molecules (e.g. modeling torsional angles) we are able to radically simplify structure learning, and make it trivial to scale up the model sizes. This model, called Molecular Conformer Fields (MCF), works by parameterizing conformer structures as functions that map elements from a molecular graph directly to their 3D location in space. This formulation allows us to boil down the essence of structure prediction to learning a distribution over functions. Experimental results show that scaling up the model capacity leads to large gains in generalization performance without enforcing inductive biases like rotational equivariance. MCF represents an advance in extending diffusion models to handle complex scientific problems in a conceptually simple, scalable and effective manner.
Authors: Sehmimul Hoque (Perimeter Institute for Theoretical Physics), Hao Jia (Department of Physics and Astronomy, University of British Columbia), Abhishek Abhishek (TRIUMF), Mojde Fadaie (Perimeter Institute for Theoretical Physics), J. Quetzalcoatl Toledo-Mar\'in (TRIUMF), Tiago Vale (Department of Physics, Simon Fraser University), Roger G. Melko (Perimeter Institute for Theoretical Physics), Maximilian Swiatlowski (TRIUMF), Wojciech T. Fedorko (TRIUMF)
Abstract: The Large Hadron Collider's high luminosity era presents major computational challenges in the analysis of collision events. Large amounts of Monte Carlo (MC) simulation will be required to constrain the statistical uncertainties of the simulated datasets below these of the experimental data. Modelling of high-energy particles propagating through the calorimeter section of the detector is the most computationally intensive MC simulation task. We introduce a technique combining recent advancements in generative models and quantum annealing for fast and efficient simulation of high-energy particle-calorimeter interactions.
Authors: Nishant Vishwamitra, Keyan Guo, Farhan Tajwar Romit, Isabelle Ondracek, Long Cheng, Ziming Zhao, Hongxin Hu
Abstract: Online hate is an escalating problem that negatively impacts the lives of Internet users, and is also subject to rapid changes due to evolving events, resulting in new waves of online hate that pose a critical threat. Detecting and mitigating these new waves present two key challenges: it demands reasoning-based complex decision-making to determine the presence of hateful content, and the limited availability of training samples hinders updating the detection model. To address this critical issue, we present a novel framework called HATEGUARD for effectively moderating new waves of online hate. HATEGUARD employs a reasoning-based approach that leverages the recently introduced chain-of-thought (CoT) prompting technique, harnessing the capabilities of large language models (LLMs). HATEGUARD further achieves prompt-based zero-shot detection by automatically generating and updating detection prompts with new derogatory terms and targets in new wave samples to effectively address new waves of online hate. To demonstrate the effectiveness of our approach, we compile a new dataset consisting of tweets related to three recently witnessed new waves: the 2022 Russian invasion of Ukraine, the 2021 insurrection of the US Capitol, and the COVID-19 pandemic. Our studies reveal crucial longitudinal patterns in these new waves concerning the evolution of events and the pressing need for techniques to rapidly update existing moderation tools to counteract them. Comparative evaluations against state-of-the-art tools illustrate the superiority of our framework, showcasing a substantial 22.22% to 83.33% improvement in detecting the three new waves of online hate. Our work highlights the severe threat posed by the emergence of new waves of online hate and represents a paradigm shift in addressing this threat practically.
Authors: Niki Triantafyllou, Maria M. Papathanasiou
Abstract: This work introduces a framework to address the computational complexity inherent in Mixed-Integer Programming (MIP) models by harnessing the potential of deep learning. By employing deep learning, we construct problem-specific heuristics that identify and exploit common structures across MIP instances. We train deep learning models to estimate complicating binary variables for target MIP problem instances. The resulting reduced MIP models are solved using standard off-the-shelf solvers. We present an algorithm for generating synthetic data enhancing the robustness and generalizability of our models across diverse MIP instances. We compare the effectiveness of (a) feed-forward neural networks (ANN) and (b) convolutional neural networks (CNN). To enhance the framework's performance, we employ Bayesian optimization for hyperparameter tuning, aiming to maximize the occurrence of global optimum solutions. We apply this framework to a flow-based facility location allocation MIP formulation that describes long-term investment planning and medium-term tactical scheduling in a personalized medicine supply chain.
Authors: Lei Wang, Xiuyuan Yuan, Tom Gedeon, Liang Zheng
Abstract: Effectively extracting motions from video is a critical and long-standing problem for action recognition. This problem is very challenging because motions (i) do not have an explicit form, (ii) have various concepts such as displacement, velocity, and acceleration, and (iii) often contain noise caused by unstable pixels. Addressing these challenges, we propose the Taylor video, a new video format that highlights the dominate motions (e.g., a waving hand) in each of its frames named the Taylor frame. Taylor video is named after Taylor series, which approximates a function at a given point using important terms. In the scenario of videos, we define an implicit motion-extraction function which aims to extract motions from video temporal block. In this block, using the frames, the difference frames, and higher-order difference frames, we perform Taylor expansion to approximate this function at the starting frame. We show the summation of the higher-order terms in the Taylor series gives us dominant motion patterns, where static objects, small and unstable motions are removed. Experimentally we show that Taylor videos are effective inputs to popular architectures including 2D CNNs, 3D CNNs, and transformers. When used individually, Taylor videos yield competitive action recognition accuracy compared to RGB videos and optical flow. When fused with RGB or optical flow videos, further accuracy improvement is achieved. Additionally, we apply Taylor video computation to human skeleton sequences, resulting in Taylor skeleton sequences that outperform the use of original skeletons for skeleton-based action recognition.
Authors: Tian Qin, Wei-Min Huang
Abstract: We propose a novel ensemble method called Riemann-Lebesgue Forest (RLF) for regression. The core idea in RLF is to mimic the way how a measurable function can be approximated by partitioning its range into a few intervals. With this idea in mind, we develop a new tree learner named Riemann-Lebesgue Tree (RLT) which has a chance to perform Lebesgue type cutting,i.e splitting the node from response $Y$ at certain non-terminal nodes. We show that the optimal Lebesgue type cutting results in larger variance reduction in response $Y$ than ordinary CART \cite{Breiman1984ClassificationAR} cutting (an analogue of Riemann partition). Such property is beneficial to the ensemble part of RLF. We also generalize the asymptotic normality of RLF under different parameter settings. Two one-dimensional examples are provided to illustrate the flexibility of RLF. The competitive performance of RLF against original random forest \cite{Breiman2001RandomF} is demonstrated by experiments in simulation data and real world datasets.
Authors: Kordag Mehmet Kilic, Jin Sima, Jehoshua Bruck
Abstract: The Nearest Neighbor (NN) Representation is an emerging computational model that is inspired by the brain. We study the complexity of representing a neuron (threshold function) using the NN representations. It is known that two anchors (the points to which NN is computed) are sufficient for a NN representation of a threshold function, however, the resolution (the maximum number of bits required for the entries of an anchor) is $O(n\log{n})$. In this work, the trade-off between the number of anchors and the resolution of a NN representation of threshold functions is investigated. We prove that the well-known threshold functions EQUALITY, COMPARISON, and ODD-MAX-BIT, which require 2 or 3 anchors and resolution of $O(n)$, can be represented by polynomially large number of anchors in $n$ and $O(\log{n})$ resolution. We conjecture that for all threshold functions, there are NN representations with polynomially large size and logarithmic resolution in $n$.
Authors: Kordag Mehmet Kilic, Jin Sima, Jehoshua Bruck
Abstract: Neural networks successfully capture the computational power of the human brain for many tasks. Similarly inspired by the brain architecture, Nearest Neighbor (NN) representations is a novel approach of computation. We establish a firmer correspondence between NN representations and neural networks. Although it was known how to represent a single neuron using NN representations, there were no results even for small depth neural networks. Specifically, for depth-2 threshold circuits, we provide explicit constructions for their NN representation with an explicit bound on the number of bits to represent it. Example functions include NN representations of convex polytopes (AND of threshold gates), IP2, OR of threshold gates, and linear or exact decision lists.
Authors: Tosin Ige, Christopher Kiekintveld, Aritran Piplai
Abstract: In this research, we analyzed the suitability of each of the current state-of-the-art machine learning models for various cyberattack detection from the past 5 years with a major emphasis on the most recent works for comparative study to identify the knowledge gap where work is still needed to be done with regard to detection of each category of cyberattack. We also reviewed the suitability, effeciency and limitations of recent research on state-of-the-art classifiers and novel frameworks in the detection of differnet cyberattacks. Our result shows the need for; further research and exploration on machine learning approach for the detection of drive-by download attacks, an investigation into the mix performance of Naive Bayes to identify possible research direction on improvement to existing state-of-the-art Naive Bayes classifier, we also identify that current machine learning approach to the detection of SQLi attack cannot detect an already compromised database with SQLi attack signifying another possible future research direction.
Authors: Guangming Huang, Yingya Li, Shoaib Jameel, Yunfei Long, Giorgos Papanastasiou
Abstract: Deep learning (DL) has substantially enhanced natural language processing (NLP) in healthcare research. However, the increasing complexity of DL-based NLP necessitates transparent model interpretability, or at least explainability, for reliable decision-making. This work presents a thorough scoping review of explainable and interpretable DL in healthcare NLP. The term "eXplainable and Interpretable Artificial Intelligence" (XIAI) is introduced to distinguish XAI from IAI. Different models are further categorized based on their functionality (model-, input-, output-based) and scope (local, global). Our analysis shows that attention mechanisms are the most prevalent emerging IAI technique. The use of IAI is growing, distinguishing it from XAI. The major challenges identified are that most XIAI does not explore "global" modelling processes, the lack of best practices, and the lack of systematic evaluation and benchmarks. One important opportunity is to use attention mechanisms to enhance multi-modal XIAI for personalized medicine. Additionally, combining DL with causal logic holds promise. Our discussion encourages the integration of XIAI in Large Language Models (LLMs) and domain-specific smaller models. In conclusion, XIAI adoption in healthcare requires dedicated in-house expertise. Collaboration with domain experts, end-users, and policymakers can lead to ready-to-use XIAI methods across NLP and medical tasks. While challenges exist, XIAI techniques offer a valuable foundation for interpretable NLP algorithms in healthcare.
Authors: Jingyang Zhang, Jingwei Sun, Eric Yeats, Yang Ouyang, Martin Kuo, Jianyi Zhang, Hao Frank Yang, Hai Li
Abstract: The problem of pre-training data detection for large language models (LLMs) has received growing attention due to its implications in critical issues like copyright violation and test data contamination. A common intuition for this problem is to identify training data by checking if the input comes from a mode of the LLM's distribution. However, existing approaches, including the state-of-the-art Min-K%, often use zeroth-order signals for detection, which are less robust in determining local maxima than second-order statistics. In this work, we propose a novel methodology Min-K%++ for pre-training data detection that measures how sharply peaked the likelihood is around the input, a measurement analogous to the curvature of continuous distribution. Our method is theoretically motivated by the observation that maximum likelihood training implicitly optimizes the trace of the Hessian matrix of likelihood through score matching. Empirically, the proposed method achieves new SOTA performance across multiple settings. On the WikiMIA benchmark, Min-K%++ outperforms the runner-up by 6.2% to 10.5% in detection AUROC averaged over five models. On the more challenging MIMIR benchmark, it consistently improves upon reference-free methods while performing on par with reference-based method that requires an extra reference model.
Authors: Rieke M\"uller, Mohamed Abdelaal, Davor Stjelja
Abstract: Data drifts pose a critical challenge in the lifecycle of machine learning (ML) models, affecting their performance and reliability. In response to this challenge, we present a microbenchmark study, called D3Bench, which evaluates the efficacy of open-source drift detection tools. D3Bench examines the capabilities of Evidently AI, NannyML, and Alibi-Detect, leveraging real-world data from two smart building use cases.We prioritize assessing the functional suitability of these tools to identify and analyze data drifts. Furthermore, we consider a comprehensive set of non-functional criteria, such as the integrability with ML pipelines, the adaptability to diverse data types, user-friendliness, computational efficiency, and resource demands. Our findings reveal that Evidently AI stands out for its general data drift detection, whereas NannyML excels at pinpointing the precise timing of shifts and evaluating their consequent effects on predictive accuracy.
Authors: Yujun Lin, Haotian Tang, Shang Yang, Zhekai Zhang, Guangxuan Xiao, Chuang Gan, Song Han
Abstract: Quantization can accelerate large language model (LLM) inference. Going beyond INT8 quantization, the research community is actively exploring even lower precision, such as INT4. Nonetheless, state-of-the-art INT4 quantization techniques only accelerate low-batch, edge LLM inference, failing to deliver performance gains in large-batch, cloud-based LLM serving. We uncover a critical issue: existing INT4 quantization methods suffer from significant runtime overhead (20-90%) when dequantizing either weights or partial sums on GPUs. To address this challenge, we introduce QoQ, a W4A8KV4 quantization algorithm with 4-bit weight, 8-bit activation, and 4-bit KV cache. QoQ stands for quattuor-octo-quattuor, which represents 4-8-4 in Latin. QoQ is implemented by the QServe inference library that achieves measured speedup. The key insight driving QServe is that the efficiency of LLM serving on GPUs is critically influenced by operations on low-throughput CUDA cores. Building upon this insight, in QoQ algorithm, we introduce progressive quantization that can allow low dequantization overhead in W4A8 GEMM. Additionally, we develop SmoothAttention to effectively mitigate the accuracy degradation incurred by 4-bit KV quantization. In the QServe system, we perform compute-aware weight reordering and take advantage of register-level parallelism to reduce dequantization latency. We also make fused attention memory-bound, harnessing the performance gain brought by KV4 quantization. As a result, QServe improves the maximum achievable serving throughput of Llama-3-8B by 1.2x on A100, 1.4x on L40S; and Qwen1.5-72B by 2.4x on A100, 3.5x on L40S, compared to TensorRT-LLM. Remarkably, QServe on L40S GPU can achieve even higher throughput than TensorRT-LLM on A100. Thus, QServe effectively reduces the dollar cost of LLM serving by 3x. Code is available at https://github.com/mit-han-lab/qserve.
Authors: Won-Gi Paeng, Daesuk Kwon
Abstract: This short note is written for rapid communication of long context training and to share the idea of how to train it with low memory usage. In the note, we generalize the attention algorithm and neural network of Generative Pre-Trained Transformers and reinterpret it in Path integral formalism. First, the role of the transformer is understood as the time evolution of the token state and second, it is suggested that the all key-token states in the same time as the query-token can attend to the attention with the query token states. As a result of the repetitive time evolution, it is discussed that the token states in the past sequence meats the token states in the present sequence so that the attention between separated sequences becomes possible for maintaining infinite contextual information just by using low memory for limited size of sequence. For the experiment, the $12$ input token window size was taken and one GPU with $24$GB memory was used for the pre-training. It was confirmed that more than $150$ length context is preserved. The sampling result of the training, the code and the other details will be included in the revised version of this note later.
Authors: Zehan Wang, Ziang Zhang, Xize Cheng, Rongjie Huang, Luping Liu, Zhenhui Ye, Haifeng Huang, Yang Zhao, Tao Jin, Peng Gao, Zhou Zhao
Abstract: Unified multi-model representation spaces are the foundation of multimodal understanding and generation. However, the billions of model parameters and catastrophic forgetting problems make it challenging to further enhance pre-trained unified spaces. In this work, we propose FreeBind, an idea that treats multimodal representation spaces as basic units, and freely augments pre-trained unified space by integrating knowledge from extra expert spaces via "space bonds". Specifically, we introduce two kinds of basic space bonds: 1) Space Displacement Bond and 2) Space Combination Bond. Based on these basic bonds, we design Complex Sequential & Parallel Bonds to effectively integrate multiple spaces simultaneously. Benefiting from the modularization concept, we further propose a coarse-to-fine customized inference strategy to flexibly adjust the enhanced unified space for different purposes. Experimentally, we bind ImageBind with extra image-text and audio-text expert spaces, resulting in three main variants: ImageBind++, InternVL_IB, and InternVL_IB++. These resulting spaces outperform ImageBind on 5 audio-image-text downstream tasks across 9 datasets. Moreover, via customized inference, it even surpasses the advanced audio-text and image-text expert spaces.